*HEADER   PRESYNAPTIC NEUROTOXIN                  02-APR-93   1DTK    
*COMPND   DENDROTOXIN K (NMR, 20 STRUCTURES)                          
*SOURCE   BLACK MAMBA (DENDROASPIS POLYLEPIS POLYLEPIS)               
*AUTHOR   K.BERNDT,P.GUNTERT,K.WUTHRICH                               
*REVDAT   1   31-JAN-94 1DTK    0                                      


HEADER    NMR DATA FOR 1DTK                        8-MAR-93   1DTK      1DTK   3
COMPND    DENDROTOXIN K                                                 1DTK   4
SOURCE    BLACK MAMBA (DENDROASPIS POLYLEPIS POLYLEPIS)                 1DTK   5
AUTHOR    K.BERNDT,P.GUNTERT,K.WUTHRICH                                 1DTK   6
COORDS    1DTK                                                          1DTK   7
REMARK   1                                                              1DTK   8
REMARK   1 THIS FILE CONTAINS DATA THAT WERE USED IN THE DETERMINATION  1DTK   9
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF THE DENDROTOXIN K      1DTK  10
REMARK   1 THE DIFFERENT KINDS OF DATA, TOGETHER WITH THE CORRESPONDING 1DTK  11
REMARK   1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. SEE     1DTK  12
REMARK   1 REMARK 2 FOR THE DETAILS.                                    1DTK  13
REMARK   1                                                              1DTK  14
REMARK   1 RECORD CONTENT                                     UNIT      1DTK  15
REMARK   1 ------ ------------------------------------------- --------- 1DTK  16
REMARK   1 SHIFTS CHEMICAL SHIFTS RELATIVE TO TSP OF THE      PPM       1DTK  17
REMARK   1        ASSIGNED PROTONS                            
REMARK   1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS     HERTZ     1DTK  18
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1DTK  19
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            1DTK  20
REMARK   1 SSUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1DTK  21
REMARK   1        FOR DISULPHIDE BRIDGES                                1DTK  22
REMARK   1 SSLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1DTK  23
REMARK   1        FOR DISULPHIDE BRIDGES                                1DTK  24
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS GIVEN BY AN       DEGREES   1DTK  25
REMARK   1        ALLOWED INTERVAL                                      1DTK  26
REMARK   1                                                              1DTK  27
REMARK   1 ALL EXPERIMENTAL INPUT DATA (EXCLUDING THE AMINO ACID        1DTK  28
REMARK   1 SEQUENCE) FOR THE DISTANCE GEOMETRY CALCULATIONS WITH THE    1DTK  29
REMARK   1 PROGRAM DIANA AND ENERGY REFINEMENT WITH THE PROGRAM AMBER   1DTK  30
REMARK   1 IS GIVEN IN THE RECORDS NOEUPP, SSUPP, SSLOW AND ANGLE.      1DTK  31
REMARK   2                                                              1DTK  32
REMARK   2                                                              1DTK  33
REMARK   2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE        1DTK  34
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND OF THE  1DTK  35
REMARK   2 MASTER RECORD.                                               1DTK  36
REMARK   2                                                              1DTK  37
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                             1DTK  38
REMARK   2 ------ ----------------------------------------------------- 1DTK  39
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL     1DTK  40
REMARK   2        SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,    1DTK  41
REMARK   2        CHEMICAL SHIFT(S)                                     1DTK  42
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X))                 1DTK  43
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM   1DTK  44
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      1DTK  45
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      1DTK  46
REMARK   2        NAME, J-COUPLING CONSTANT                             1DTK  47
REMARK   2        ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X))            1DTK  48
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  1DTK  49
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1DTK  50
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM    1DTK  51
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1DTK  52
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                1DTK  53
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))   1DTK  54
REMARK   2 SSUPP  SIMILAR TO NOEUPP                                     1DTK  55
REMARK   2 SSLOW  SIMILAR TO NOEUPP                                     1DTK  56
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND   1DTK  57
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND        1DTK  58
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                  1DTK  59
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS,   1DTK  60
REMARK   2        NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS,   1DTK  61
REMARK   2        NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF  1DTK  62
REMARK   2        NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE      1DTK  63
REMARK   2        RECORDS                                               1DTK  64
REMARK   2        ('MASTER',4X,7I5)                                     1DTK  65
REMARK   3                                                              1DTK  66
REMARK   3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS  1DTK  67
REMARK   3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY     1DTK  68
REMARK   3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE         1DTK  69
REMARK   3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM  1DTK  70
REMARK   3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE   1DTK  71
REMARK   3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER    1DTK  72
REMARK   3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES.            1DTK  73
REMARK   3 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE           1DTK  74
REMARK   3 COORDINATE FILE 1DTK.                                        1DTK  75
REMARK   4                                                              1DTK  76
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE     1DTK  77
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                1DTK  78
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)    1DTK  79
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL     1DTK  80
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR     1DTK  81
REMARK   4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAVE BEEN OBTAINED.      1DTK  82
REMARK   4 FOR ALL METHYLENE GROUPS, EVEN IN CASE OF IDENTICAL SHIFTS,  1DTK  83
REMARK   4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS.          1DTK  84
REMARK   4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO        1DTK  85
REMARK   4 METHYLS IN THE ISOPROPYL GROUPS.                             1DTK  86
REMARK   5                                                              1DTK  87
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE         1DTK  88
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN         1DTK  89
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...         1DTK  90
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF    1DTK  91
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS  1DTK  92
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE      1DTK  93
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED.                                1DTK  94
REMARK   5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN       1DTK  95
REMARK   5 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPEC- 1DTK  96
REMARK   5 TIVELY. QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON      1DTK  97
REMARK   5 HYDROGENS OF THE AROMATIC RINGS OF TYR AND PHE. WHERE THE    1DTK  98
REMARK   5 DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS HAVE BEEN  1DTK  99
REMARK   5 INDIVIDUALLY IDENTIFIED BUT ARE DEGENERATE IN THE ONE AND    1DTK 100
REMARK   5 TWO POSITIONS, THE CHEMICAL SHIFTS WERE LISTED UNDER CG AND  1DTK 101
REMARK   5 CZ RESPECTIVELY.                                             1DTK 102
REMARK   5                                                              1DTK 103
SHIFTS  ALA    1   HA   4.11         QB   1.43                          1DTK 104
SHIFTS  ALA    2   HN   7.42         HA   4.28         QB   0.87        1DTK 105
SHIFTS  LYS    3   HN   8.93         HA   3.90        2HB   1.81        1DTK 106
SHIFTS  LYS    3  3HB   1.68        2HG   1.50        3HG   1.45        1DTK 107
SHIFTS  LYS    3   QE   3.00                                            1DTK 108
SHIFTS  TYR    4   HN   6.62         HA   4.47        2HB   3.22        1DTK 109
SHIFTS  TYR    4  3HB   2.96         QR   6.91                          1DTK 110
SHIFTS  CYS    5   HN   7.30         HA   4.46        2HB   3.14        1DTK 111
SHIFTS  CYS    5  3HB   3.10                                            1DTK 112
SHIFTS  LYS    6   HN   6.93         HA   4.24        2HB   1.17        1DTK 113
SHIFTS  LYS    6  3HB   1.36        2HG   0.49        3HG   0.73        1DTK 114
SHIFTS  LYS    6  2HD   0.98        3HD   1.05        2HE   2.22        1DTK 115
SHIFTS  LYS    6  3HE   2.29                                            1DTK 116
SHIFTS  LEU    7   HN   7.39         HA   4.44        2HB   2.00        1DTK 117
SHIFTS  LEU    7  3HB   1.63         HG   1.91         QD1  1.09        1DTK 118
SHIFTS  LEU    7   QD2  0.99                                            1DTK 119
SHIFTS  PRO    8   HA   4.57        2HB   1.88        3HB   2.36        1DTK 120
SHIFTS  PRO    8   QG   2.11        2HD   3.58        3HD   3.80        1DTK 121
SHIFTS  LEU    9   HN   7.80         HA   3.79        2HB   0.51        1DTK 122
SHIFTS  LEU    9  3HB   1.14         HG   0.65         QD1 -1.07        1DTK 123
SHIFTS  LEU    9   QD2  0.22                                            1DTK 124
SHIFTS  ARG   10   HN   7.78         HA   4.61         QB   1.80        1DTK 125
SHIFTS  ARG   10  2HG   1.53        3HG   1.61        2HD   3.18        1DTK 126
SHIFTS  ARG   10  3HD   3.28         HE   7.20         QH1  6.68        1DTK 127
SHIFTS  ILE   11   HN   8.61         HA   4.12         HB   1.89        1DTK 128
SHIFTS  ILE   11   QG2  1.35        2HG1  1.34        3HG1  1.63        1DTK 129
SHIFTS  ILE   11   QD1  1.01                                            1DTK 130
SHIFTS  GLY   12   HN   8.20        1HA   3.98        2HA   5.26        1DTK 131
SHIFTS  PRO   13   HA   4.78        2HB   2.22        3HB   1.97        1DTK 132
SHIFTS  PRO   13   QG   2.05        2HD   3.61        3HD   3.54        1DTK 133
SHIFTS  CYS   14   HN   7.60         HA   4.59        2HB   2.64        1DTK 134
SHIFTS  CYS   14  3HB   3.49                                            1DTK 135
SHIFTS  LYS   15   HN   8.37         HA   4.56        2HB   1.30        1DTK 136
SHIFTS  LYS   15  3HB   1.63         QG   2.09         QD   1.41        1DTK 137
SHIFTS  LYS   15   QE   2.95         QZ   7.40                          1DTK 138
SHIFTS  ARG   16   HN   7.94         HA   4.40        2HB   1.44        1DTK 139
SHIFTS  ARG   16  3HB   1.73        2HG   1.55        3HG   1.66        1DTK 140
SHIFTS  ARG   16   QD   3.13         HE   7.12         QH1  6.68        1DTK 141
SHIFTS  LYS   17   HN   8.06         HA   4.15        2HB   1.44        1DTK 142
SHIFTS  LYS   17  3HB   1.62        2HG   1.06        3HG   1.23        1DTK 143
SHIFTS  LYS   17   QD   1.61         QE   2.91                          1DTK 144
SHIFTS  ILE   18   HN   8.98         HA   4.52         HB   1.80        1DTK 145
SHIFTS  ILE   18   QG2  0.85        2HG1  1.01        3HG1  1.29        1DTK 146
SHIFTS  ILE   18   QD1  0.68                                            1DTK 147
SHIFTS  PRO   19   HA   4.49        2HB   1.99        3HB   2.30        1DTK 148
SHIFTS  PRO   19  2HG   1.99        3HG   2.15        2HD   4.00        1DTK 149
SHIFTS  PRO   19  3HD   3.78                                            1DTK 150
SHIFTS  SER   20   HN   8.82         HA   4.97        2HB   2.46        1DTK 151
SHIFTS  SER   20  3HB   3.55         HG   3.66                          1DTK 152
SHIFTS  PHE   21   HN   9.07         HA   5.86        2HB   2.63        1DTK 153
SHIFTS  PHE   21  3HB   2.90         CG   6.75         CZ   7.39        1DTK 154
SHIFTS  PHE   21   HZ   7.39                                            1DTK 155
SHIFTS  TYR   22   HN  10.04         HA   5.35        2HB   2.91        1DTK 156
SHIFTS  TYR   22  3HB   3.00         CG   6.99         CZ   6.56        1DTK 157
SHIFTS  TYR   23   HN  10.25         HA   4.73        2HB   2.96        1DTK 158
SHIFTS  TYR   23  3HB   3.65         CG   7.40         CZ   6.46        1DTK 159
SHIFTS  LYS   24   HN   8.28         HA   4.38        2HB   1.28        1DTK 160
SHIFTS  LYS   24  3HB   1.75        2HG   0.95        3HG   1.27        1DTK 161
SHIFTS  LYS   24   QD   1.53        2HE   2.81        3HE   2.99        1DTK 162
SHIFTS  TRP   25   HN   7.88         HA   3.90        2HB   3.68        1DTK 163
SHIFTS  TRP   25  3HB   3.33         HD1  7.41         HE3  7.52        1DTK 164
SHIFTS  TRP   25   HE1 10.18         HZ3  7.09         HZ2  7.56        1DTK 165
SHIFTS  TRP   25   HH2  7.25                                            1DTK 166
SHIFTS  LYS   26   HN   8.48         HA   3.66        2HB   1.41        1DTK 167
SHIFTS  LYS   26  3HB   1.53         QG   0.99         QE   2.90        1DTK 168
SHIFTS  ALA   27   HN   6.78         HA   4.31         QB   1.22        1DTK 169
SHIFTS  LYS   28   HN   7.52         HA   3.54        2HB   1.87        1DTK 170
SHIFTS  LYS   28  3HB   1.99         QG   1.23         QD   1.56        1DTK 171
SHIFTS  LYS   28   QE   2.84                                            1DTK 172
SHIFTS  GLN   29   HN   6.34         HA   4.61        2HB   1.50        1DTK 173
SHIFTS  GLN   29  3HB   1.81         QG   2.23        1HE2  7.21        1DTK 174
SHIFTS  GLN   29  2HE2  6.72                                            1DTK 175
SHIFTS  CYS   30   HN   8.60         HA   5.47        2HB   3.29        1DTK 176
SHIFTS  CYS   30  3HB   2.58                                            1DTK 177
SHIFTS  LEU   31   HN   9.36         HA   5.12        2HB   1.41        1DTK 178
SHIFTS  LEU   31  3HB   1.69         HG   1.29         QD1  0.81        1DTK 179
SHIFTS  LEU   31   QD2  0.93                                            1DTK 180
SHIFTS  PRO   32   HA   4.88        2HB   1.85        3HB   2.00        1DTK 181
SHIFTS  PRO   32   QG   2.16        2HD   3.87        3HD   3.93        1DTK 182
SHIFTS  PHE   33   HN   8.49         HA   4.68        2HB   2.85        1DTK 183
SHIFTS  PHE   33  3HB   3.19         CG   6.99         CZ   7.25        1DTK 184
SHIFTS  PHE   33   HZ   6.91                                            1DTK 185
SHIFTS  ASP   34   HN   8.51         HA   4.81        2HB   2.58        1DTK 186
SHIFTS  ASP   34  3HB   1.90                                            1DTK 187
SHIFTS  TYR   35   HN   8.32         HA   4.64         QB   2.76        1DTK 188
SHIFTS  TYR   35   HD1  7.78         HE1  6.56         HE2  6.68        1DTK 189
SHIFTS  TYR   35   HD2  6.73         HH   9.50                          1DTK 190
SHIFTS  SER   36   HN   7.96         HA   4.40        2HB   3.82        1DTK 191
SHIFTS  SER   36  3HB   3.48         HG   5.71                          1DTK 192
SHIFTS  GLY   37   HN   4.57        1HA   2.95        2HA   4.30        1DTK 193
SHIFTS  CYS   38   HN   7.76         HA   4.77        2HB   3.08        1DTK 194
SHIFTS  CYS   38  3HB   3.77                                            1DTK 195
SHIFTS  GLY   39   HN   8.54         QA   3.88                          1DTK 196
SHIFTS  GLY   40   HN   8.12        1HA   3.86        2HA   4.21        1DTK 197
SHIFTS  ASN   41   HN   8.56         HA   4.73        2HB   3.24        1DTK 198
SHIFTS  ASN   41  3HB   2.78        1HD2  7.98        2HD2  8.32        1DTK 199
SHIFTS  ALA   42   HN   7.55         HA   3.90         QB   0.76        1DTK 200
SHIFTS  ASN   43   HN   7.71         HA   4.75        2HB   3.16        1DTK 201
SHIFTS  ASN   43  3HB   2.99        1HD2  7.71        2HD2  8.29        1DTK 202
SHIFTS  ARG   44   HN   6.78         HA   4.80        2HB   1.40        1DTK 203
SHIFTS  ARG   44  3HB   1.75        2HG   1.21        3HG   1.34        1DTK 204
SHIFTS  ARG   44  2HD   2.35        3HD   2.47         HE   6.73        1DTK 205
SHIFTS  ARG   44   QH1  6.06         QH2  6.45                          1DTK 206
SHIFTS  PHE   45   HN   9.65         HA   5.01        2HB   2.59        1DTK 207
SHIFTS  PHE   45  3HB   3.40         CG   7.20         CZ   7.80        1DTK 208
SHIFTS  PHE   45   HZ   7.39                                            1DTK 209
SHIFTS  LYS   46   HN   9.37         HA   4.59         QB   2.09        1DTK 210
SHIFTS  LYS   46  2HG   1.63        3HG   1.73         QD   1.80        1DTK 211
SHIFTS  LYS   46   QE   3.08                                            1DTK 212
SHIFTS  THR   47   HN   7.27         HA   4.83         HB   4.58        1DTK 213
SHIFTS  THR   47   QG2  1.27                                            1DTK 214
SHIFTS  ILE   48   HN   8.23         HA   3.05         HB   0.55        1DTK 215
SHIFTS  ILE   48   QG2  0.63         QG1  0.88         QD1  0.75        1DTK 216
SHIFTS  GLU   49   HN   8.35         HA   3.85        2HB   1.83        1DTK 217
SHIFTS  GLU   49  3HB   2.00        2HG   2.17        3HG   2.39        1DTK 218
SHIFTS  GLU   50   HN   7.75         HA   3.87        2HB   2.15        1DTK 219
SHIFTS  GLU   50  3HB   2.23         QG   2.37                          1DTK 220
SHIFTS  CYS   51   HN   7.05         HA   2.00        2HB   2.81        1DTK 221
SHIFTS  CYS   51  3HB   3.13                                            1DTK 222
SHIFTS  ARG   52   HN   8.57         HA   3.66        2HB   1.78        1DTK 223
SHIFTS  ARG   52  3HB   1.69         QG   1.46         QD   3.05        1DTK 224
SHIFTS  ARG   52   HE   7.12         QH1  6.76                          1DTK 225
SHIFTS  ARG   53   HN   8.21         HA   3.94        2HB   1.75        1DTK 226
SHIFTS  ARG   53  3HB   1.83         QG   1.65         QD   3.14        1DTK 227
SHIFTS  ARG   53   HE   7.37                                            1DTK 228
SHIFTS  THR   54   HN   7.36         HA   3.93         HB   3.84        1DTK 229
SHIFTS  THR   54   QG2  1.36                                            1DTK 230
SHIFTS  CYS   55   HN   7.79         HA   4.76        2HB   1.87        1DTK 231
SHIFTS  CYS   55  3HB   1.44                                            1DTK 232
SHIFTS  VAL   56   HN   7.84         HA   3.96         HB   2.23        1DTK 233
SHIFTS  VAL   56   QQG  0.92                                            1DTK 234
SHIFTS  GLY   57   HN   7.90        1HA   3.61        2HA   3.80        1DTK 235
JCOUPL  ALA    2   HN   HA   5.30                                       1DTK 236
JCOUPL  LYS+   3   HN   HA   4.00                                       1DTK 237
JCOUPL  TYR    4   HN   HA   6.00    HA  3HB   5.80    HA  2HB   4.10   1DTK 238
JCOUPL  CYSS   5   HN   HA   5.00    HA  3HB  12.10    HA  2HB   3.60   1DTK 239
JCOUPL  LYS+   6   HN   HA   7.70    HA  2HB   9.80    HA  3HB   5.40   1DTK 240
JCOUPL  LEU    7   HN   HA   5.70    HA  2HB  11.60    HA  3HB   1.90   1DTK 241
JCOUPL  LEU    9   HN   HA   3.90    HA  2HB   4.70    HA  3HB  11.70   1DTK 242
JCOUPL  ARG+  10   HA   HN   9.80                                       1DTK 243
JCOUPL  ILE   11   HN   HA   6.50    HA   HB  10.30                     1DTK 244
JCOUPL  CYSS  14   HA   HN   8.30                                       1DTK 245
JCOUPL  LYS+  15   HA   HN   8.40                                       1DTK 246
JCOUPL  ARG+  16   HA   HN   8.30    HA  2HB  12.30    HA  3HB   3.50   1DTK 247
JCOUPL  LYS+  17   HN   HA   9.30                                       1DTK 248
JCOUPL  ILE   18   HN   HA   9.00    HA   HB  10.70                     1DTK 249
JCOUPL  SER   20   HN   HA   9.80    HA  2HB  10.30    HA  3HB   4.40   1DTK 250
JCOUPL  PHE   21   HN   HA   9.80    HA  2HB  11.30    HA  3HB   2.50   1DTK 251
JCOUPL  TYR   22   HN   HA   8.70    HA  2HB   5.20    HA  3HB   2.50   1DTK 252
JCOUPL  TYR   23   HA   HN   8.30                                       1DTK 253
JCOUPL  LYS+  24   HN   HA   8.20    HA  2HB   3.60    HA  3HB  11.80   1DTK 254
JCOUPL  TRP   25   HN   HA   3.50                                       1DTK 255
JCOUPL  LYS+  26   HN   HA   3.90                                       1DTK 256
JCOUPL  ALA   27   HN   HA   9.40                                       1DTK 257
JCOUPL  LYS+  28   HN   HA   7.10    HA  2HB   4.70    HA  3HB  11.00   1DTK 258
JCOUPL  GLN   29   HN   HA   8.30                                       1DTK 259
JCOUPL  CYSS  30   HN   HA   8.50    HA  3HB   1.80    HA  2HB  11.80   1DTK 260
JCOUPL  LEU   31   HN   HA   9.20    HA  2HB  11.80    HA  3HB   1.40   1DTK 261
JCOUPL  PHE   33   HN   HA   5.90    HA  2HB   5.20    HA  3HB   2.60   1DTK 262
JCOUPL  ASP-  34   HA   HN   8.80    HA  3HB   2.70    HA  2HB  11.80   1DTK 263
JCOUPL  TYR   35   HA   HN   6.50                                       1DTK 264
JCOUPL  SER   36   HN   HA   4.90    HA  3HB   4.00    HA  2HB   4.00   1DTK 265
JCOUPL  CYSS  38   HA   HN   5.70                                       1DTK 266
JCOUPL  ASN   41   HA   HN   8.00    HA  2HB   3.60    HA  3HB   3.50   1DTK 267
JCOUPL  ALA   42   HN   HA   3.50                                       1DTK 268
JCOUPL  ASN   43   HN   HA   8.50    HA  3HB  12.40    HA  2HB   2.60   1DTK 269
JCOUPL  ARG+  44   HN   HA   7.20    HA  2HB  10.30    HA  3HB   4.80   1DTK 270
JCOUPL  PHE   45   HN   HA  10.20    HA  2HB  12.40    HA  3HB   4.10   1DTK 271
JCOUPL  LYS+  46   HN   HA   5.60                                       1DTK 272
JCOUPL  THR   47   HN   HA   9.30    HA   HB   2.90                     1DTK 273
JCOUPL  ILE   48   HN   HA   4.00    HA   HB   2.50                     1DTK 274
JCOUPL  GLU-  49   HN   HA   4.50                                       1DTK 275
JCOUPL  GLU-  50   HN   HA   5.00                                       1DTK 276
JCOUPL  CYSS  51   HN   HA   4.90    HA  2HB   3.60    HA  3HB  12.60   1DTK 277
JCOUPL  ARG+  52   HN   HA   3.70    HA  3HB  10.70    HA  2HB   2.90   1DTK 278
JCOUPL  ARG+  53   HN   HA   4.00                                       1DTK 279
JCOUPL  THR   54   HN   HA   6.70    HN   HB   9.40                     1DTK 280
JCOUPL  CYSS  55   HN   HA   9.40    HA  3HB   2.60    HA  2HB  11.80   1DTK 281
JCOUPL  VAL   56   HN   HA   8.40    HA   HB   9.90                     1DTK 282
NOEUPP  ALA    1  HA  ALA    2  HN   2.70      HA  CYSS  55  HA   3.40  1DTK 283
NOEUPP  ALA    1  QB  ALA    2  HN   4.40      QB  TRP   25  HZ3  5.50  1DTK 284
NOEUPP  ALA    1  QB  TRP   25  HH2  5.50      QB  CYSS  55  HA   3.90  1DTK 285
NOEUPP  ALA    2  HN  ALA    2  QB   3.60      HN  THR   54  QG2  5.40  1DTK 286
NOEUPP  ALA    2  HN  CYSS  55  HA   3.70      HA  LYS+   3  HN   2.70  1DTK 287
NOEUPP  ALA    2  HA  TYR    4  HN   4.50      QB  TYR    4  HN   4.70  1DTK 288
NOEUPP  ALA    2  QB  TYR    4  QR   7.50      QB  CYSS   5  HN   5.50  1DTK 289
NOEUPP  ALA    2  QB  THR   54  QG2  4.40                               1DTK 290
NOEUPP  LYS+   3  HN  LYS+   3 2HB   2.80      HN  LYS+   3 2HG   4.50  1DTK 291
NOEUPP  LYS+   3  HN  LYS+   3 3HG   4.50      HN  TYR    4  HN   3.30  1DTK 292
NOEUPP  LYS+   3  HN  TYR    4  QR   6.90      HA  LYS+   3 2HB   2.90  1DTK 293
NOEUPP  LYS+   3  HA  CYSS   5  HN   3.90     2HB  TYR    4  HN   3.30  1DTK 294
NOEUPP  LYS+   3 2HB  TYR    4  QR   6.90      QG  TYR    4  HN   5.38  1DTK 295
NOEUPP  TYR    4  HN  TYR    4 2HB   3.70      HN  TYR    4 3HB   3.20  1DTK 296
NOEUPP  TYR    4  HN  CYSS   5  HN   3.20      HN  ALA   42  QB   5.50  1DTK 297
NOEUPP  TYR    4  HA  TYR    4 2HB   2.70      HA  TYR    4 3HB   2.60  1DTK 298
NOEUPP  TYR    4  HA  LYS+   6  HN   3.70      HA  LEU    7  HN   3.70  1DTK 299
NOEUPP  TYR    4  HA  LEU    7  HG   3.10      HA  LEU    7  QD1  4.00  1DTK 300
NOEUPP  TYR    4  HA  LEU    7  QD2  5.50      HA  ALA   42  QB   5.50  1DTK 301
NOEUPP  TYR    4 2HB  CYSS   5  HN   4.10     2HB  LEU    7  HN   4.30  1DTK 302
NOEUPP  TYR    4 2HB  LEU    7  HG   4.30     2HB  LEU    7  QD1  3.10  1DTK 303
NOEUPP  TYR    4 2HB  LEU    7  QD2  5.50     2HB  ALA   42  QB   3.40  1DTK 304
NOEUPP  TYR    4 3HB  CYSS   5  HN   4.20     3HB  LEU    7  QD1  3.80  1DTK 305
NOEUPP  TYR    4 3HB  ALA   42  QB   3.90      QR  CYSS   5  HN   6.90  1DTK 306
NOEUPP  TYR    4  QR  CYSS   5  HA   6.90      QR  CYSS   5 2HB   6.90  1DTK 307
NOEUPP  TYR    4  QR  LEU    7  QD1  7.90      QR  ALA   42  HA   6.90  1DTK 308
NOEUPP  TYR    4  QR  ALA   42  QB   7.70      QR  ASN   43  HA   6.90  1DTK 309
NOEUPP  TYR    4  QR  PHE   45  HZ   6.90      QR  THR   54  QG2  7.60  1DTK 310
NOEUPP  CYSS   5  HN  CYSS   5 2HB   3.00      HN  CYSS   5 3HB   3.00  1DTK 311
NOEUPP  CYSS   5  HN  LYS+   6  HN   2.90      HA  ASN   43 1HD2  4.50  1DTK 312
NOEUPP  CYSS   5  HA  ASN   43 2HD2  4.50     2HB  LYS+   6  HN   3.90  1DTK 313
NOEUPP  CYSS   5 2HB  TYR   23  CG   6.50     2HB  TRP   25  HZ3  4.50  1DTK 314
NOEUPP  CYSS   5 3HB  LYS+   6  HN   4.10     3HB  TYR   23  CG   6.50  1DTK 315
NOEUPP  CYSS   5 3HB  TRP   25  HZ3  4.50                               1DTK 316
NOEUPP  LYS+   6  HN  LYS+   6  QB   3.54      HN  LYS+   6 2HG   4.50  1DTK 317
NOEUPP  LYS+   6  HN  LYS+   6 3HG   4.50      HN  LYS+   6  QG   4.17  1DTK 318
NOEUPP  LYS+   6  HN  LEU    7  HN   2.70      HN  LEU    7  HG   4.50  1DTK 319
NOEUPP  LYS+   6  HA  LYS+   6  QG   3.89      HA  LEU    7  HN   3.60  1DTK 320
NOEUPP  LYS+   6  HA  TRP   25  HN   4.50      HA  TRP   25 2HB   3.70  1DTK 321
NOEUPP  LYS+   6  HA  TRP   25 3HB   4.10      HA  TRP   25  HD1  4.10  1DTK 322
NOEUPP  LYS+   6  HA  TRP   25  HE3  4.40      QB  LEU    7  HN   4.78  1DTK 323
NOEUPP  LYS+   6  QG  TRP   25 2HB   5.38      QG  TRP   25  HD1  5.38  1DTK 324
NOEUPP  LYS+   6  QD  TRP   25  HD1  5.38      QD  TRP   25  HE3  5.38  1DTK 325
NOEUPP  LEU    7  HN  LEU    7 2HB   2.60      HN  LEU    7 3HB   3.50  1DTK 326
NOEUPP  LEU    7  HN  LEU    7  HG   3.20      HN  LEU    7  QD1  5.30  1DTK 327
NOEUPP  LEU    7  HN  LEU    7  QD2  5.40      HN  ASN   43 2HB   4.00  1DTK 328
NOEUPP  LEU    7  HA  LEU    7 3HB   2.90      HA  LEU    7  QD1  5.50  1DTK 329
NOEUPP  LEU    7  HA  LEU    7  QD2  3.40      HA  PRO    8  QG   5.50  1DTK 330
NOEUPP  LEU    7  HA  PRO    8 2HD   2.70      HA  PRO    8 3HD   2.50  1DTK 331
NOEUPP  LEU    7 2HB  LEU    7  QD1  3.40     2HB  ASN   41 1HD2  4.50  1DTK 332
NOEUPP  LEU    7 2HB  ASN   41 2HD2  3.60     2HB  ASN   43 1HD2  4.20  1DTK 333
NOEUPP  LEU    7 3HB  PRO    8 3HD   4.50     3HB  ASN   41 1HD2  3.50  1DTK 334
NOEUPP  LEU    7 3HB  ASN   41 2HD2  3.10     3HB  ASN   43 1HD2  4.50  1DTK 335
NOEUPP  LEU    7  QD1 PRO    8 2HD   5.50      QD1 ASN   41 2HB   3.70  1DTK 336
NOEUPP  LEU    7  QD1 ASN   41 3HB   4.80      QD1 ASN   41 1HD2  5.20  1DTK 337
NOEUPP  LEU    7  QD1 ASN   41 2HD2  5.50      QD1 ALA   42  HN   3.90  1DTK 338
NOEUPP  LEU    7  QD1 ASN   43  HN   4.40      QD1 ASN   43 2HB   5.00  1DTK 339
NOEUPP  LEU    7  QD2 PRO    8 2HD   4.00      QD2 PRO    8 3HD   4.70  1DTK 340
NOEUPP  LEU    7  QD2 ASN   41 2HB   5.50      QD2 ASN   41 1HD2  5.50  1DTK 341
NOEUPP  LEU    7  QD2 ASN   41 2HD2  5.50      QD2 ALA   42  HN   5.50  1DTK 342
NOEUPP  PRO    8  HA  LEU    9  HN   2.60      HA  ASN   43 1HD2  4.50  1DTK 343
NOEUPP  PRO    8 3HB  LEU    9  HN   4.50     2HD  ARG+  10  QB   4.90  1DTK 344
NOEUPP  PRO    8 2HD  ASN   41 1HD2  4.50     2HD  ASN   41 2HD2  4.30  1DTK 345
NOEUPP  LEU    9  HN  LEU    9  HA   2.80      HN  LEU    9 2HB   2.70  1DTK 346
NOEUPP  LEU    9  HN  LEU    9 3HB   2.60      HN  LEU    9  HG   4.50  1DTK 347
NOEUPP  LEU    9  HN  LEU    9  QD1  5.40      HN  LEU    9  QD2  5.50  1DTK 348
NOEUPP  LEU    9  HN  TYR   22  CZ   6.50      HA  LEU    9 2HB   2.80  1DTK 349
NOEUPP  LEU    9  HA  LEU    9  HG   4.20      HA  LEU    9  QD1  3.40  1DTK 350
NOEUPP  LEU    9  HA  LEU    9  QD2  5.50      HA  ARG+  10  HN   2.60  1DTK 351
NOEUPP  LEU    9 2HB  LEU    9  QD2  3.60     2HB  TYR   22  CZ   6.40  1DTK 352
NOEUPP  LEU    9 2HB  PHE   33  CG   6.50     3HB  LEU    9  QD2  3.40  1DTK 353
NOEUPP  LEU    9 3HB  ARG+  10  HN   4.50     3HB  TYR   22  CZ   6.50  1DTK 354
NOEUPP  LEU    9  HG  ARG+  10  HN   4.50      HG  ARG+  10  HA   4.50  1DTK 355
NOEUPP  LEU    9  HG  ILE   11  HN   4.50      HG  ILE   11  QG1  4.38  1DTK 356
NOEUPP  LEU    9  QD1 ARG+  10  HN   4.30      QD1 ILE   11  HN   5.50  1DTK 357
NOEUPP  LEU    9  QD1 ILE   11  HA   5.50      QD1 ILE   11  QG2  6.50  1DTK 358
NOEUPP  LEU    9  QD1 ILE   11  QG1  5.88      QD1 ILE   11  QD1  6.50  1DTK 359
NOEUPP  LEU    9  QD1 TYR   22 2HB   5.50      QD1 TYR   22 3HB   4.70  1DTK 360
NOEUPP  LEU    9  QD1 TYR   22  CZ   7.50      QD1 PHE   33 2HB   5.10  1DTK 361
NOEUPP  LEU    9  QD1 PHE   33 3HB   5.10      QD1 PHE   33  CG   6.70  1DTK 362
NOEUPP  LEU    9  QD1 PHE   33  CZ   7.50      QD1 PHE   33  HZ   5.50  1DTK 363
NOEUPP  LEU    9  QD2 ILE   11  QG1  5.68      QD2 ILE   11  QD1  4.90  1DTK 364
NOEUPP  LEU    9  QD2 TYR   22  CZ   7.20      QD2 PHE   33 2HB   5.10  1DTK 365
NOEUPP  LEU    9  QD2 PHE   33 3HB   5.30      QD2 PHE   33  CG   7.50  1DTK 366
NOEUPP  ARG+  10  HN  ARG+  10  QG   5.38      HN  ILE   11  HN   4.40  1DTK 367
NOEUPP  ARG+  10  HA  ARG+  10 2HD   4.00      HA  ARG+  10 3HD   4.00  1DTK 368
NOEUPP  ARG+  10  HA  ARG+  10  QD   3.47      HA  ILE   11  HN   2.50  1DTK 369
NOEUPP  ARG+  10  HA  GLY   12  HN   4.50      QB  ARG+  10  HE   5.50  1DTK 370
NOEUPP  ARG+  10  QB  TYR   22  CZ   7.50      QB  GLY   40 2HA   5.30  1DTK 371
NOEUPP  ARG+  10  QB  ASN   41 2HB   5.50      QB  ASN   41 1HD2  5.50  1DTK 372
NOEUPP  ARG+  10  QB  ASN   41 2HD2  5.50     2HG  ASN   41 1HD2  4.50  1DTK 373
NOEUPP  ARG+  10 2HG  ASN   41 2HD2  4.50     3HG  ASN   41 1HD2  4.50  1DTK 374
NOEUPP  ARG+  10 3HG  ASN   41 2HD2  4.50      QG  GLY   40 2HA   4.28  1DTK 375
NOEUPP  ARG+  10  QG  ASN   41  HN   5.28      QG  ASN   41 2HB   5.38  1DTK 376
NOEUPP  ARG+  10  QG  ASN   41 1HD2  4.21      QG  ASN   41 2HD2  4.12  1DTK 377
NOEUPP  ILE   11  HN  ILE   11  HB   2.60      HN  ILE   11 2HG1  3.80  1DTK 378
NOEUPP  ILE   11  HN  ILE   11 3HG1  3.80      HN  ILE   11  QG1  3.40  1DTK 379
NOEUPP  ILE   11  HN  ILE   11  QD1  5.50      HN  GLY   12  HN   2.70  1DTK 380
NOEUPP  ILE   11  HA  ILE   11  QG2  3.50      HA  PHE   33  CG   6.50  1DTK 381
NOEUPP  ILE   11  HA  PHE   33  CZ   5.70      HA  TYR   35  HA   3.20  1DTK 382
NOEUPP  ILE   11  HA  TYR   35  HD1  3.60      HA  SER   36  HN   3.60  1DTK 383
NOEUPP  ILE   11  HB  GLY   12  HN   2.90      QG2 GLY   12  HN   5.10  1DTK 384
NOEUPP  ILE   11  QG2 PHE   33  CG   6.70      QG2 PHE   33  CZ   7.40  1DTK 385
NOEUPP  ILE   11  QG2 ASP-  34  HN   5.50      QG2 SER   36  HN   3.90  1DTK 386
NOEUPP  ILE   11  QG2 SER   36 3HB   3.30      QG2 SER   36  HG   5.20  1DTK 387
NOEUPP  ILE   11 2HG1 PHE   33  CG   6.50     2HG1 PHE   33  CZ   6.50  1DTK 388
NOEUPP  ILE   11 3HG1 PHE   33  CG   6.50     3HG1 PHE   33  CZ   6.50  1DTK 389
NOEUPP  ILE   11  QG1 GLY   12  HN   5.38      QD1 PHE   33  CG   7.50  1DTK 390
NOEUPP  ILE   11  QD1 PHE   33  CZ   7.50      QD1 ASP-  34  HN   5.50  1DTK 391
NOEUPP  GLY   12  HN  GLY   12 1HA   2.60      HN  PRO   13 3HD   4.50  1DTK 392
NOEUPP  GLY   12 1HA  PRO   13 2HD   3.40     1HA  PRO   13 3HD   2.70  1DTK 393
NOEUPP  GLY   12 1HA  SER   36  HG   4.50     2HA  PRO   13 2HD   3.50  1DTK 394
NOEUPP  GLY   12 2HA  PRO   13 3HD   3.60     2HA  CYSS  14  HN   4.00  1DTK 395
NOEUPP  GLY   12 2HA  TYR   35  HE1  4.50     2HA  SER   36  HG   2.80  1DTK 396
NOEUPP  GLY   12 2HA  GLY   39  QA   4.50                               1DTK 397
NOEUPP  PRO   13 2HD  CYSS  14  HN   4.50     2HD  SER   36  HG   4.50  1DTK 398
NOEUPP  PRO   13 3HD  CYSS  14  HN   4.50                               1DTK 399
NOEUPP  CYSS  14  HN  CYSS  14 2HB   2.80      HN  CYSS  14 3HB   3.30  1DTK 400
NOEUPP  CYSS  14  HN  SER   36 2HB   3.70      HN  SER   36 3HB   4.50  1DTK 401
NOEUPP  CYSS  14  HN  SER   36  HG   4.00      HA  LYS+  15  HN   3.40  1DTK 402
NOEUPP  CYSS  14 2HB  LYS+  15  HN   3.80     2HB  SER   36 2HB   4.30  1DTK 403
NOEUPP  CYSS  14 2HB  GLY   37  QA   5.38     2HB  CYSS  38  HN   3.60  1DTK 404
NOEUPP  CYSS  14 3HB  LYS+  15  HN   2.70     3HB  CYSS  38  HN   4.50  1DTK 405
NOEUPP  LYS+  15  HN  LYS+  15 2HB   3.90      HN  LYS+  15 3HB   3.90  1DTK 406
NOEUPP  LYS+  15  HN  LYS+  15  QB   3.28      HN  LYS+  15  QG   5.50  1DTK 407
NOEUPP  LYS+  15  HN  LYS+  15  QD   5.50      HN  ARG+  16  HN   2.90  1DTK 408
NOEUPP  LYS+  15  HN  SER   36 2HB   4.50                               1DTK 409
NOEUPP  ARG+  16  HN  ARG+  16  HA   2.90      HN  ARG+  16 2HB   2.90  1DTK 410
NOEUPP  ARG+  16  HN  ARG+  16 3HB   4.10      HN  ARG+  16 2HG   4.50  1DTK 411
NOEUPP  ARG+  16  HN  ARG+  16 3HG   4.50      HN  ARG+  16  QG   4.26  1DTK 412
NOEUPP  ARG+  16  HN  SER   36 2HB   3.60      HN  SER   36 3HB   4.50  1DTK 413
NOEUPP  ARG+  16  HA  ARG+  16 3HB   2.80      HA  ARG+  16 2HG   4.00  1DTK 414
NOEUPP  ARG+  16  HA  ARG+  16 3HG   4.00      HA  ARG+  16  QG   3.70  1DTK 415
NOEUPP  ARG+  16  HA  LYS+  17  HN   2.60     2HB  GLY   37  QA   5.28  1DTK 416
NOEUPP  ARG+  16 3HB  ARG+  16  HE   4.50     3HB  LYS+  17  HN   2.60  1DTK 417
NOEUPP  ARG+  16 3HB  ILE   18  QD1  5.50     2HG  LYS+  17  HN   4.50  1DTK 418
NOEUPP  ARG+  16 3HG  LYS+  17  HN   4.50      QD  ILE   18  QD1  6.40  1DTK 419
NOEUPP  ARG+  16  QD  GLY   37  QA   6.38      HE  ILE   18  QD1  5.50  1DTK 420
NOEUPP  LYS+  17  HN  LYS+  17  QG   5.38      HN  ILE   18  HN   3.90  1DTK 421
NOEUPP  LYS+  17  HN  ILE   18 3HG1  4.50      HA  LYS+  17 2HG   3.90  1DTK 422
NOEUPP  LYS+  17  HA  LYS+  17 3HG   3.90      HA  LYS+  17  QD   5.30  1DTK 423
NOEUPP  LYS+  17  HA  ILE   18  HN   2.40      HA  ASP-  34 2HB   4.50  1DTK 424
NOEUPP  LYS+  17  HA  ASP-  34 3HB   3.10      QB  ILE   18  HN   4.80  1DTK 425
NOEUPP  ILE   18  HN  ILE   18  HB   2.80      HN  ILE   18 2HG1  4.50  1DTK 426
NOEUPP  ILE   18  HN  ILE   18 3HG1  3.50      HN  ILE   18  QD1  5.50  1DTK 427
NOEUPP  ILE   18  HN  ASP-  34  HA   4.10      HN  ASP-  34 3HB   4.50  1DTK 428
NOEUPP  ILE   18  HN  TYR   35  HN   3.20      HN  TYR   35  QB   5.50  1DTK 429
NOEUPP  ILE   18  HN  SER   36  HA   4.50      HA  ILE   18 2HG1  4.00  1DTK 430
NOEUPP  ILE   18  HA  PRO   19 2HD   2.80      HA  PRO   19 3HD   2.80  1DTK 431
NOEUPP  ILE   18  HA  PRO   19  QD   2.56      HB  TYR   35  HN   4.10  1DTK 432
NOEUPP  ILE   18  HB  TYR   35  QB   4.10      HB  TYR   35  HD2  3.80  1DTK 433
NOEUPP  ILE   18  QG2 PRO   19 2HD   5.50      QG2 PRO   19 3HD   5.50  1DTK 434
NOEUPP  ILE   18  QG2 PRO   19  QD   5.04      QG2 SER   20  HG   4.50  1DTK 435
NOEUPP  ILE   18  QG2 TYR   35  HN   5.50      QG2 TYR   35  QB   6.50  1DTK 436
NOEUPP  ILE   18  QG2 TYR   35  HD2  5.00      QD1 TYR   35  QB   6.50  1DTK 437
NOEUPP  ILE   18  QD1 TYR   35  HE2  5.50      QD1 TYR   35  HD2  4.30  1DTK 438
NOEUPP  ILE   18  QD1 GLY   37 1HA   4.70      QD1 GLY   37 2HA   4.70  1DTK 439
NOEUPP  ILE   18  QD1 GLY   37  QA   4.14                               1DTK 440
NOEUPP  PRO   19  HA  SER   20  HN   2.40      HA  SER   20  HG   4.50  1DTK 441
NOEUPP  PRO   19  HA  ASP-  34  HA   2.80      HA  TYR   35  HN   3.90  1DTK 442
NOEUPP  PRO   19 2HB  SER   20  HN   4.10     3HB  SER   20  HN   4.10  1DTK 443
NOEUPP  PRO   19  QB  SER   20  HN   3.85                               1DTK 444
NOEUPP  SER   20  HN  SER   20 2HB   3.10      HN  SER   20 3HB   4.00  1DTK 445
NOEUPP  SER   20  HN  SER   20  HG   4.30      HN  PHE   21  HN   4.50  1DTK 446
NOEUPP  SER   20  HN  PHE   33  HN   3.10      HN  ASP-  34  HA   3.50  1DTK 447
NOEUPP  SER   20  HN  TYR   35  HN   4.20      HA  SER   20 3HB   2.80  1DTK 448
NOEUPP  SER   20  HA  SER   20  HG   4.10      HA  PHE   21  HN   2.80  1DTK 449
NOEUPP  SER   20  HA  PHE   21  CG   6.50      HA  PHE   21  CZ   6.50  1DTK 450
NOEUPP  SER   20  HA  LYS+  46  HA   3.40     2HB  PHE   21  HN   3.40  1DTK 451
NOEUPP  SER   20 2HB  PHE   33  HN   4.50     2HB  PHE   33  CG   6.50  1DTK 452
NOEUPP  SER   20 2HB  PHE   33  CZ   6.50     2HB  TYR   35  HN   4.50  1DTK 453
NOEUPP  SER   20 2HB  ARG+  44  HA   4.50     3HB  PHE   21  HN   2.60  1DTK 454
NOEUPP  SER   20 3HB  PHE   33  CG   6.50     3HB  PHE   33  CZ   6.50  1DTK 455
NOEUPP  SER   20 3HB  ARG+  44  QB   5.08     3HB  ARG+  44 2HG   4.50  1DTK 456
NOEUPP  SER   20 3HB  ARG+  44 3HG   3.60     3HB  ARG+  44 2HD   4.50  1DTK 457
NOEUPP  SER   20 3HB  PHE   45  HN   4.50     3HB  LYS+  46  HA   4.40  1DTK 458
NOEUPP  SER   20  HG  PHE   21  HN   4.50      HG  PHE   33  CZ   6.50  1DTK 459
NOEUPP  SER   20  HG  ASP-  34  HA   4.50      HG  TYR   35  HN   4.40  1DTK 460
NOEUPP  SER   20  HG  TYR   35  QB   5.50      HG  ARG+  44 2HG   4.50  1DTK 461
NOEUPP  PHE   21  HN  PHE   21 2HB   3.10      HN  PHE   21 3HB   3.80  1DTK 462
NOEUPP  PHE   21  HN  PHE   33  CZ   6.50      HN  ARG+  44  HA   4.40  1DTK 463
NOEUPP  PHE   21  HN  PHE   45  HN   3.00      HN  PHE   45 2HB   4.50  1DTK 464
NOEUPP  PHE   21  HN  LYS+  46  HA   4.40      HA  PHE   21 3HB   2.80  1DTK 465
NOEUPP  PHE   21  HA  TYR   22  HN   2.60      HA  PRO   32  HA   2.70  1DTK 466
NOEUPP  PHE   21  HA  PHE   33  HN   3.40      HA  PHE   33  CG   6.30  1DTK 467
NOEUPP  PHE   21  HA  PHE   33  CZ   6.50     2HB  TYR   22  HN   4.20  1DTK 468
NOEUPP  PHE   21 2HB  PHE   45  HN   4.50     3HB  TYR   22  HN   4.00  1DTK 469
NOEUPP  PHE   21 3HB  LEU   31  HN   4.50     3HB  ILE   48  QG1  5.50  1DTK 470
NOEUPP  PHE   21 3HB  ILE   48  QD1  5.50      CG  TYR   22  HN   6.50  1DTK 471
NOEUPP  PHE   21  CG  CYSS  30 2HB   6.50      CG  LEU   31  HN   6.50  1DTK 472
NOEUPP  PHE   21  CG  LEU   31  HA   6.50      CG  PRO   32  HA   6.50  1DTK 473
NOEUPP  PHE   21  CG  PRO   32  QB   7.38      CG  PRO   32  QG   7.50  1DTK 474
NOEUPP  PHE   21  CG  PRO   32  QD   7.38      CG  PHE   45 2HB   6.50  1DTK 475
NOEUPP  PHE   21  CG  LYS+  46  HA   6.50      CG  THR   47  HA   6.50  1DTK 476
NOEUPP  PHE   21  CG  THR   47  QG2  7.50      CG  ILE   48  HN   6.50  1DTK 477
NOEUPP  PHE   21  CG  ILE   48  HA   6.50      CG  ILE   48  HB   6.50  1DTK 478
NOEUPP  PHE   21  CG  ILE   48  QG2  7.50      CG  ILE   48  QG1  7.50  1DTK 479
NOEUPP  PHE   21  CG  ILE   48  QD1  7.10      CZ  LEU   31  HA   6.50  1DTK 480
NOEUPP  PHE   21  CZ  PRO   32  HA   6.50      CZ  PRO   32 2HB   6.50  1DTK 481
NOEUPP  PHE   21  CZ  PRO   32 3HB   6.50      CZ  PRO   32  QG   7.50  1DTK 482
NOEUPP  PHE   21  CZ  PRO   32  QD   7.38      CZ  THR   47  HA   6.10  1DTK 483
NOEUPP  PHE   21  CZ  THR   47  QG2  7.50      CZ  ILE   48  HN   6.50  1DTK 484
NOEUPP  PHE   21  CZ  ILE   48  HA   6.50      CZ  ILE   48  HB   6.50  1DTK 485
NOEUPP  PHE   21  CZ  ILE   48  QG2  7.50      CZ  ILE   48  QG1  7.50  1DTK 486
NOEUPP  PHE   21  CZ  ILE   48  QD1  6.60                               1DTK 487
NOEUPP  TYR   22  HN  TYR   22 2HB   3.80      HN  TYR   22 3HB   3.70  1DTK 488
NOEUPP  TYR   22  HN  CYSS  30  HA   4.30      HN  LEU   31  HN   3.00  1DTK 489
NOEUPP  TYR   22  HN  LEU   31 2HB   4.50      HN  PRO   32  HA   4.20  1DTK 490
NOEUPP  TYR   22  HN  PHE   33  CZ   6.50      HA  TYR   22 2HB   2.70  1DTK 491
NOEUPP  TYR   22  HA  TYR   22 3HB   2.90      HA  TYR   23  HN   2.70  1DTK 492
NOEUPP  TYR   22  HA  PHE   33  CZ   6.50      HA  ARG+  44  HA   3.50  1DTK 493
NOEUPP  TYR   22  HA  PHE   45  HN   4.10      HA  PHE   45  CG   6.50  1DTK 494
NOEUPP  TYR   22 2HB  TYR   23  HN   3.30     2HB  PHE   33  CZ   6.50  1DTK 495
NOEUPP  TYR   22 2HB  ASN   43 2HD2  4.50     3HB  PHE   33  CG   6.50  1DTK 496
NOEUPP  TYR   22 3HB  PHE   33  CZ   5.80      CG  TYR   23  HN   6.50  1DTK 497
NOEUPP  TYR   22  CG  LYS+  24  HA   6.50      CG  LEU   31 2HB   6.50  1DTK 498
NOEUPP  TYR   22  CG  PHE   33 2HB   6.50      CG  ASN   43 1HD2  6.50  1DTK 499
NOEUPP  TYR   22  CG  ASN   43 2HD2  6.50      CZ  LYS+  24  HA   5.90  1DTK 500
NOEUPP  TYR   22  CZ  LYS+  24 2HB   6.00      CZ  LYS+  24 3HB   6.50  1DTK 501
NOEUPP  TYR   22  CZ  LYS+  24  QD   7.50      CZ  TRP   25  HN   6.50  1DTK 502
NOEUPP  TYR   22  CZ  LEU   31 2HB   5.80      CZ  LEU   31 3HB   6.50  1DTK 503
NOEUPP  TYR   22  CZ  LEU   31  HG   6.30      CZ  LEU   31  QD1  7.50  1DTK 504
NOEUPP  TYR   22  CZ  LEU   31  QD2  7.50      CZ  PHE   33 2HB   6.50  1DTK 505
NOEUPP  TYR   22  CZ  PHE   33 3HB   6.50      CZ  ASN   43 2HD2  6.50  1DTK 506
NOEUPP  TYR   23  HN  TYR   23 2HB   3.30      HN  TYR   23 3HB   2.80  1DTK 507
NOEUPP  TYR   23  HN  ASN   43 3HB   4.00      HN  ASN   43 1HD2  4.50  1DTK 508
NOEUPP  TYR   23  HN  ASN   43 2HD2  3.40      HN  PHE   45  CZ   6.50  1DTK 509
NOEUPP  TYR   23  HA  TYR   23 2HB   2.90      HA  LYS+  24  HN   2.60  1DTK 510
NOEUPP  TYR   23  HA  CYSS  30  HA   2.60      HA  LEU   31  HN   3.90  1DTK 511
NOEUPP  TYR   23 3HB  ASN   43 1HD2  4.50     3HB  ASN   43 2HD2  3.70  1DTK 512
NOEUPP  TYR   23  CG  LYS+  24  HN   6.50      CG  CYSS  30  HA   6.50  1DTK 513
NOEUPP  TYR   23  CG  CYSS  51 3HB   6.50      CG  CYSS  55  QB   7.38  1DTK 514
NOEUPP  TYR   23  CG  VAL   56  QQG  8.90      CZ  TRP   25  HA   6.20  1DTK 515
NOEUPP  TYR   23  CZ  TRP   25 2HB   6.50      CZ  TRP   25  HE3  6.50  1DTK 516
NOEUPP  TYR   23  CZ  LYS+  28  HA   6.50      CZ  CYSS  55  QB   7.38  1DTK 517
NOEUPP  TYR   23  CZ  VAL   56  QQG  8.70                               1DTK 518
NOEUPP  LYS+  24  HN  LYS+  24 2HB   3.00      HN  LYS+  24 3HB   2.80  1DTK 519
NOEUPP  LYS+  24  HN  ALA   27  QB   5.50      HN  GLN   29  HN   3.50  1DTK 520
NOEUPP  LYS+  24  HN  GLN   29  QB   5.50      HN  CYSS  30  HA   3.50  1DTK 521
NOEUPP  LYS+  24  HN  LEU   31  HN   4.20      HN  LEU   31  QD1  5.50  1DTK 522
NOEUPP  LYS+  24  HN  LEU   31  QD2  5.50      HA  LYS+  24 2HB   2.90  1DTK 523
NOEUPP  LYS+  24  HA  LYS+  24  QD   5.10      HA  TRP   25  HN   2.50  1DTK 524
NOEUPP  LYS+  24 3HB  GLN   29  HN   4.50     2HG  TRP   25  HN   4.50  1DTK 525
NOEUPP  LYS+  24 3HG  TRP   25  HN   4.50      QG  LYS+  26  HN   5.08  1DTK 526
NOEUPP  LYS+  24  QG  ALA   27  HN   3.98      QE  ALA   27  QB   5.38  1DTK 527
NOEUPP  LYS+  24  QE  LEU   31  QD1  6.38                               1DTK 528
NOEUPP  TRP   25  HN  TRP   25 2HB   2.80      HN  TRP   25 3HB   2.80  1DTK 529
NOEUPP  TRP   25  HN  LYS+  26  HN   3.40      HN  LYS+  26  QB   5.00  1DTK 530
NOEUPP  TRP   25  HN  ALA   27  HN   4.50      HA  TRP   25 3HB   3.00  1DTK 531
NOEUPP  TRP   25  HA  TRP   25  HD1  4.50      HA  TRP   25  HE3  3.80  1DTK 532
NOEUPP  TRP   25  HA  GLN   29  HN   4.30     2HB  TRP   25  HE3  3.10  1DTK 533
NOEUPP  TRP   25 2HB  LYS+  26  HN   4.50     3HB  TRP   25  HD1  3.60  1DTK 534
NOEUPP  TRP   25 3HB  LYS+  26  HN   3.20      HD1 LYS+  26  HN   4.50  1DTK 535
NOEUPP  LYS+  26  HN  LYS+  26  HA   2.90      HN  LYS+  26  QB   3.70  1DTK 536
NOEUPP  LYS+  26  HN  LYS+  26  QG   5.50      HN  ALA   27  HN   3.00  1DTK 537
NOEUPP  LYS+  26  HN  ALA   27  QB   5.50      QB  ALA   27  HN   4.20  1DTK 538
NOEUPP  ALA   27  HN  ALA   27  QB   3.40      HN  LYS+  28  HN   2.50  1DTK 539
NOEUPP  ALA   27  HN  LYS+  28  HA   4.20      HA  LYS+  28  HN   3.60  1DTK 540
NOEUPP  ALA   27  QB  GLN   29  HN   4.50      QB  GLN   29  QG   6.50  1DTK 541
NOEUPP  ALA   27  QB  GLN   29 1HE2  5.50                               1DTK 542
NOEUPP  LYS+  28  HN  LYS+  28  HA   2.50      HN  LYS+  28  QG   4.60  1DTK 543
NOEUPP  LYS+  28  HN  LYS+  28  QD   5.50      HN  GLN   29  HN   3.00  1DTK 544
NOEUPP  LYS+  28  HA  LYS+  28  QG   4.00      HA  GLN   29  HN   2.90  1DTK 545
NOEUPP  GLN   29  HN  GLN   29  QG   5.50      HN  CYSS  30  HN   4.50  1DTK 546
NOEUPP  GLN   29  HN  LEU   31  HG   4.50      HA  CYSS  30  HN   2.50  1DTK 547
NOEUPP  GLN   29  QB  CYSS  30  HN   4.20      QG  CYSS  30  HN   5.50  1DTK 548
NOEUPP  GLN   29 1HE2 LEU   31  QD2  5.50     2HE2 LEU   31  QD2  5.50  1DTK 549
NOEUPP  CYSS  30  HN  CYSS  30 2HB   2.70      HN  CYSS  30 3HB   3.60  1DTK 550
NOEUPP  CYSS  30  HN  LEU   31  QD2  5.50      HN  ILE   48  QD1  5.50  1DTK 551
NOEUPP  CYSS  30  HA  CYSS  30 3HB   2.80      HA  LEU   31  HN   2.40  1DTK 552
NOEUPP  CYSS  30  HA  LEU   31  HG   4.50      HA  LEU   31  QD2  5.50  1DTK 553
NOEUPP  CYSS  30 2HB  LEU   31  HN   4.10     2HB  ILE   48  QG1  5.00  1DTK 554
NOEUPP  CYSS  30 2HB  ILE   48  QD1  4.30     2HB  ARG+  52  HN   4.50  1DTK 555
NOEUPP  CYSS  30 2HB  ARG+  52 2HB   4.30     3HB  LEU   31  HN   3.60  1DTK 556
NOEUPP  CYSS  30 3HB  ILE   48  QG1  4.80     3HB  ILE   48  QD1  4.80  1DTK 557
NOEUPP  CYSS  30 3HB  CYSS  51 3HB   3.50     3HB  ARG+  52  HN   4.50  1DTK 558
NOEUPP  LEU   31  HN  LEU   31 2HB   2.80      HN  LEU   31 3HB   3.80  1DTK 559
NOEUPP  LEU   31  HN  LEU   31  HG   3.90      HN  LEU   31  QD1  5.50  1DTK 560
NOEUPP  LEU   31  HN  LEU   31  QD2  5.50      HA  LEU   31 3HB   2.80  1DTK 561
NOEUPP  LEU   31  HA  LEU   31  HG   3.90      HA  LEU   31  QD1  5.50  1DTK 562
NOEUPP  LEU   31  HA  LEU   31  QD2  3.10      HA  PRO   32  QG   5.50  1DTK 563
NOEUPP  LEU   31  HA  PRO   32 2HD   2.70      HA  PRO   32 3HD   2.70  1DTK 564
NOEUPP  LEU   31  HA  PRO   32  QD   2.45      HA  ILE   48  QD1  5.50  1DTK 565
NOEUPP  LEU   31 2HB  LEU   31  QD1  3.70     3HB  LEU   31  QD1  3.50  1DTK 566
NOEUPP  LEU   31 3HB  LEU   31  QD2  3.60     3HB  PRO   32  QD   4.38  1DTK 567
NOEUPP  LEU   31  QD2 PRO   32  QD   5.58                               1DTK 568
NOEUPP  PRO   32  HA  PHE   33  HN   2.50      HA  PHE   33  CG   6.50  1DTK 569
NOEUPP  PRO   32 2HB  PHE   33  HN   3.90     3HB  PHE   33  HN   3.90  1DTK 570
NOEUPP  PRO   32  QB  PHE   33  HN   3.65                               1DTK 571
NOEUPP  PHE   33  HN  PHE   33 3HB   3.80      HA  PHE   33 2HB   2.80  1DTK 572
NOEUPP  PHE   33  HA  PHE   33 3HB   2.70      HA  ASP-  34  HN   3.60  1DTK 573
NOEUPP  PHE   33 2HB  ASP-  34  HN   3.00     3HB  ASP-  34  HN   3.80  1DTK 574
NOEUPP  PHE   33  CG  ASP-  34  HN   6.50      CG  ASP-  34  HA   6.50  1DTK 575
NOEUPP  PHE   33  CG  TYR   35  HN   6.50      CG  TYR   35  HA   6.50  1DTK 576
NOEUPP  PHE   33  CG  TYR   35  QB   7.50      CG  ARG+  44 3HG   5.60  1DTK 577
NOEUPP  PHE   33  CZ  TYR   35  HA   6.50      CZ  TYR   35  QB   7.50  1DTK 578
NOEUPP  PHE   33  CZ  TYR   35  HD1  6.10      CZ  SER   36  HN   6.50  1DTK 579
NOEUPP  PHE   33  CZ  ARG+  44  HA   6.10      CZ  ARG+  44  QB   7.38  1DTK 580
NOEUPP  PHE   33  CZ  ARG+  44 2HG   6.50      CZ  ARG+  44 3HG   6.20  1DTK 581
NOEUPP  PHE   33  CZ  PHE   45  HN   6.50      HZ  TYR   35  QB   5.50  1DTK 582
NOEUPP  PHE   33  HZ  TYR   35  HD1  4.50      HZ  ARG+  44  HA   4.50  1DTK 583
NOEUPP  PHE   33  HZ  ARG+  44  QB   4.58      HZ  ARG+  44 2HG   4.50  1DTK 584
NOEUPP  PHE   33  HZ  ARG+  44 3HG   3.20      HZ  ARG+  44 2HD   4.50  1DTK 585
NOEUPP  PHE   33  HZ  ARG+  44 3HD   3.20                               1DTK 586
NOEUPP  ASP-  34  HN  ASP-  34 2HB   2.60      HN  ASP-  34 3HB   3.50  1DTK 587
NOEUPP  ASP-  34  HA  ASP-  34 3HB   3.00      HA  TYR   35  HN   2.50  1DTK 588
NOEUPP  ASP-  34 3HB  TYR   35  HN   3.70                               1DTK 589
NOEUPP  TYR   35  HN  TYR   35  QB   3.60      HA  TYR   35  HD1  4.50  1DTK 590
NOEUPP  TYR   35  HA  SER   36  HN   3.60      HD1 ARG+  44 2HD   4.50  1DTK 591
NOEUPP  TYR   35  HD1 ARG+  44 3HD   4.50      HE1 SER   36  HG   4.50  1DTK 592
NOEUPP  TYR   35  HE1 GLY   37  HN   4.50      HE1 GLY   40  HN   4.30  1DTK 593
NOEUPP  TYR   35  HE1 GLY   40 1HA   3.30      HE1 GLY   40 2HA   4.10  1DTK 594
NOEUPP  TYR   35  HE2 GLY   37  HN   4.50      HE2 GLY   37  QA   4.88  1DTK 595
NOEUPP  TYR   35  HE2 GLY   40 2HA   4.50      HE2 ARG+  44 2HD   4.50  1DTK 596
NOEUPP  TYR   35  HD2 SER   36  HN   4.50      HD2 GLY   37  HN   4.50  1DTK 597
NOEUPP  TYR   35  HD2 GLY   37  QA   5.38      HD2 ARG+  44 2HD   4.50  1DTK 598
NOEUPP  TYR   35  HD2 ARG+  44 3HD   4.50                               1DTK 599
NOEUPP  SER   36  HN  SER   36 3HB   2.70      HN  SER   36  HG   3.30  1DTK 600
NOEUPP  SER   36  HN  GLY   37  HN   3.10      HA  SER   36 2HB   2.70  1DTK 601
NOEUPP  SER   36  HA  SER   36 3HB   2.80     3HB  SER   36  HG   2.60  1DTK 602
NOEUPP  SER   36  HG  GLY   37  HN   4.50      HG  CYSS  38  HN   3.70  1DTK 603
NOEUPP  GLY   37  HN  GLY   37 1HA   2.90      HN  GLY   37 2HA   2.90  1DTK 604
NOEUPP  GLY   37  HN  CYSS  38  HN   2.60                               1DTK 605
NOEUPP  CYSS  38  HA  GLY   39  HN   3.10     2HB  GLY   39  HN   3.80  1DTK 606
NOEUPP  CYSS  38 3HB  GLY   39  HN   3.80      QB  GLY   39  HN   3.22  1DTK 607
NOEUPP  GLY   39  HN  GLY   40  HN   3.40                               1DTK 608
NOEUPP  GLY   40 1HA  ARG+  44  HE   4.50     2HA  ASN   41  HN   3.00  1DTK 609
NOEUPP  ASN   41  HN  ASN   41 2HB   4.20      HN  ASN   41 3HB   3.90  1DTK 610
NOEUPP  ASN   41  HN  ASN   41 1HD2  4.50      HN  ASN   43  HN   4.50  1DTK 611
NOEUPP  ASN   41  HN  ARG+  44  HE   4.50      HA  ASN   41 2HB   2.70  1DTK 612
NOEUPP  ASN   41  HA  ASN   41 3HB   2.70      HA  ALA   42  HN   3.00  1DTK 613
NOEUPP  ASN   41  HA  ALA   42  QB   5.50     2HB  ALA   42  HN   2.40  1DTK 614
NOEUPP  ASN   41 2HB  ASN   43  HN   3.50     3HB  ASN   41 1HD2  3.20  1DTK 615
NOEUPP  ASN   41 3HB  ALA   42  HN   3.80     1HD2 ASN   43 2HB   4.50  1DTK 616
NOEUPP  ALA   42  HN  ALA   42  QB   3.00      HA  ASN   43  HN   3.50  1DTK 617
NOEUPP  ALA   42  HA  ARG+  44  HN   3.90                               1DTK 618
NOEUPP  ASN   43  HN  ASN   43 2HB   3.00      HN  ASN   43 3HB   2.90  1DTK 619
NOEUPP  ASN   43  HA  ASN   43 2HB   2.80      HA  ARG+  44  HN   2.70  1DTK 620
NOEUPP  ASN   43  HA  PHE   45  HZ   4.50     3HB  ASN   43 1HD2  3.40  1DTK 621
NOEUPP  ARG+  44  HN  ARG+  44 2HB   3.50      HN  ARG+  44 3HB   3.50  1DTK 622
NOEUPP  ARG+  44  HN  ARG+  44  QB   3.19      HN  PHE   45  HN   4.50  1DTK 623
NOEUPP  ARG+  44  HA  ARG+  44 3HG   3.70      HA  PHE   45  HN   2.40  1DTK 624
NOEUPP  ARG+  44 2HB  ARG+  44 3HD   3.90     2HB  ARG+  44  HE   4.50  1DTK 625
NOEUPP  ARG+  44 3HB  ARG+  44 3HD   3.90     3HB  ARG+  44  HE   4.50  1DTK 626
NOEUPP  ARG+  44  QB  ARG+  44 3HD   3.65     2HG  ARG+  44 2HD   3.00  1DTK 627
NOEUPP  ARG+  44 2HG  PHE   45  HN   4.50     3HG  ARG+  44 2HD   3.00  1DTK 628
NOEUPP  ARG+  44 3HG  PHE   45  HN   4.50                               1DTK 629
NOEUPP  PHE   45  HN  PHE   45 2HB   3.00      HN  PHE   45 3HB   3.80  1DTK 630
NOEUPP  PHE   45  HN  LYS+  46  HN   4.50      HA  PHE   45 3HB   2.70  1DTK 631
NOEUPP  PHE   45  HA  LYS+  46  HN   2.50      HA  LYS+  46  QB   5.50  1DTK 632
NOEUPP  PHE   45  HA  THR   47  HN   3.60     2HB  LYS+  46  HN   4.00  1DTK 633
NOEUPP  PHE   45 2HB  THR   47  HN   3.70     2HB  CYSS  51  HN   4.50  1DTK 634
NOEUPP  PHE   45 3HB  LYS+  46  HN   3.20     3HB  THR   47  HN   3.10  1DTK 635
NOEUPP  PHE   45 3HB  GLU-  50  QB   4.50     3HB  GLU-  50  QG   5.50  1DTK 636
NOEUPP  PHE   45 3HB  CYSS  51  HN   4.40     3HB  CYSS  51 2HB   4.50  1DTK 637
NOEUPP  PHE   45  CG  GLU-  50  QB   7.50      CG  GLU-  50  QG   7.50  1DTK 638
NOEUPP  PHE   45  CG  CYSS  51  HA   6.50      CG  CYSS  51 2HB   6.50  1DTK 639
NOEUPP  PHE   45  CZ  THR   54  QG2  6.70      HZ  CYSS  51  HA   4.50  1DTK 640
NOEUPP  PHE   45  HZ  THR   54  HB   4.50      HZ  THR   54  QG2  3.90  1DTK 641
NOEUPP  LYS+  46  HN  LYS+  46  QB   3.80      HN  LYS+  46 2HG   4.50  1DTK 642
NOEUPP  LYS+  46  HN  LYS+  46 3HG   4.50      HN  LYS+  46  QG   4.07  1DTK 643
NOEUPP  LYS+  46  HN  LYS+  46  QD   5.50      HN  THR   47  HN   2.80  1DTK 644
NOEUPP  LYS+  46  HN  GLU-  50  QB   5.30      HA  THR   47  HN   3.50  1DTK 645
NOEUPP  LYS+  46  QB  THR   47  HN   4.60      QB  THR   47  QG2  5.80  1DTK 646
NOEUPP  THR   47  HN  THR   47  QG2  4.40      HN  ILE   48  HN   4.40  1DTK 647
NOEUPP  THR   47  HN  GLU-  50  QB   4.30      HN  GLU-  50  QG   5.50  1DTK 648
NOEUPP  THR   47  HA  THR   47  HB   2.50      HA  THR   47  QG2  3.40  1DTK 649
NOEUPP  THR   47  HA  ILE   48  HN   2.50      HA  ILE   48  QG2  5.50  1DTK 650
NOEUPP  THR   47  HA  GLU-  49  HN   3.90      HA  GLU-  50  HN   4.50  1DTK 651
NOEUPP  THR   47  HB  ILE   48  HN   2.80      HB  ILE   48  QG2  5.50  1DTK 652
NOEUPP  THR   47  HB  GLU-  49  HN   2.90      QG2 ILE   48  HN   5.50  1DTK 653
NOEUPP  THR   47  QG2 GLU-  49  HN   5.50      QG2 GLU-  50  HN   5.50  1DTK 654
NOEUPP  ILE   48  HN  ILE   48  HB   2.70      HN  ILE   48  QG2  3.50  1DTK 655
NOEUPP  ILE   48  HN  ILE   48  QG1  5.50      HN  ILE   48  QD1  5.50  1DTK 656
NOEUPP  ILE   48  HN  GLU-  49  HN   2.80      HA  ILE   48  HB   2.70  1DTK 657
NOEUPP  ILE   48  HA  ILE   48  QG1  3.70      HA  ILE   48  QD1  4.40  1DTK 658
NOEUPP  ILE   48  HA  GLU-  50  HN   4.40      HA  CYSS  51  HN   3.50  1DTK 659
NOEUPP  ILE   48  HA  ARG+  52  HN   3.70      HB  ILE   48  QD1  3.60  1DTK 660
NOEUPP  ILE   48  HB  GLU-  49  HN   4.00      QG2 GLU-  49  HN   3.90  1DTK 661
NOEUPP  ILE   48  QG2 GLU-  49  HA   5.20      QG2 ARG+  52  HN   5.50  1DTK 662
NOEUPP  ILE   48  QG2 ARG+  52  HE   5.50      QG1 GLU-  49  HN   5.50  1DTK 663
NOEUPP  ILE   48  QG1 CYSS  51 3HB   5.50      QG1 ARG+  52  HN   5.50  1DTK 664
NOEUPP  ILE   48  QG1 ARG+  52  HE   5.50      QD1 ARG+  52  HN   5.50  1DTK 665
NOEUPP  ILE   48  QD1 ARG+  52  HE   5.50                               1DTK 666
NOEUPP  GLU-  49  HN  GLU-  49  QB   3.80      HN  GLU-  49 2HG   4.50  1DTK 667
NOEUPP  GLU-  49  HN  GLU-  49 3HG   4.50      HN  GLU-  50  HN   3.00  1DTK 668
NOEUPP  GLU-  49  HN  CYSS  51  HN   4.50      HA  ARG+  52  HN   3.20  1DTK 669
NOEUPP  GLU-  49  HA  ARG+  52 3HB   3.10      HA  ARG+  52  QD   5.50  1DTK 670
NOEUPP  GLU-  49  HA  ARG+  53  HN   3.60      QB  GLU-  50  HN   4.30  1DTK 671
NOEUPP  GLU-  49  QG  GLU-  50  HN   5.28                               1DTK 672
NOEUPP  GLU-  50  HN  GLU-  50  HA   2.90      HN  GLU-  50  QB   3.80  1DTK 673
NOEUPP  GLU-  50  HN  GLU-  50  QG   5.50      HN  CYSS  51  HN   2.90  1DTK 674
NOEUPP  GLU-  50  HN  ARG+  52  HN   4.40      HA  ARG+  53  HN   3.60  1DTK 675
NOEUPP  GLU-  50  HA  ARG+  53  QB   4.30      QB  CYSS  51  HN   4.20  1DTK 676
NOEUPP  GLU-  50  QG  CYSS  51  HN   5.50                               1DTK 677
NOEUPP  CYSS  51  HN  CYSS  51 2HB   3.00      HN  CYSS  51 3HB   2.90  1DTK 678
NOEUPP  CYSS  51  HN  ARG+  52  HN   3.00      HN  ARG+  53  HN   4.30  1DTK 679
NOEUPP  CYSS  51  HA  ARG+  53  HN   4.50      HA  THR   54  HN   4.40  1DTK 680
NOEUPP  CYSS  51  HA  CYSS  55  HN   4.10     2HB  ARG+  52  HN   3.90  1DTK 681
NOEUPP  CYSS  51 3HB  ARG+  52  HN   3.00                               1DTK 682
NOEUPP  ARG+  52  HN  ARG+  52 2HB   2.70      HN  ARG+  52 3HB   2.70  1DTK 683
NOEUPP  ARG+  52  HN  ARG+  52  QG   5.50      HN  ARG+  53  HN   3.00  1DTK 684
NOEUPP  ARG+  52  HN  THR   54  HN   4.50      HN  VAL   56  QQG  6.90  1DTK 685
NOEUPP  ARG+  52  HA  ARG+  52 2HB   2.70      HA  CYSS  55  HN   3.70  1DTK 686
NOEUPP  ARG+  52  HA  VAL   56  HN   3.30      HA  VAL   56  HB   3.00  1DTK 687
NOEUPP  ARG+  52  HA  VAL   56  QQG  5.30     2HB  ARG+  52  HE   4.40  1DTK 688
NOEUPP  ARG+  52 3HB  ARG+  52  HE   4.50     3HB  ARG+  53  HN   3.10  1DTK 689
NOEUPP  ARG+  52  HE  VAL   56  QQG  6.90                               1DTK 690
NOEUPP  ARG+  53  HN  ARG+  53  QB   3.80      HN  ARG+  53  QG   5.50  1DTK 691
NOEUPP  ARG+  53  HN  ARG+  53  QD   5.50      HN  THR   54  HN   2.90  1DTK 692
NOEUPP  ARG+  53  QB  ARG+  53  HE   5.00                               1DTK 693
NOEUPP  THR   54  HN  THR   54  HB   3.10      HN  CYSS  55  HN   2.60  1DTK 694
NOEUPP  THR   54  HA  THR   54  QG2  3.60      HB  CYSS  55  HN   3.00  1DTK 695
NOEUPP  THR   54  QG2 CYSS  55  HN   5.40                               1DTK 696
NOEUPP  CYSS  55  HN  CYSS  55  QB   3.54      HN  VAL   56  QQG  6.90  1DTK 697
NOEUPP  CYSS  55 2HB  VAL   56  HN   3.80     3HB  VAL   56  HN   3.80  1DTK 698
NOEUPP  VAL   56  HN  VAL   56  HB   2.70      HA  GLY   57  HN   2.80  1DTK 699
NOEUPP  VAL   56  HB  GLY   57  HN   3.30      QQG GLY   57  HN   6.90  1DTK 700
SSUPP   CYSS   5  SG  CYSS  55  SG   2.10      SG  CYSS  55  CB   3.10  1DTK 701
SSUPP   CYSS   5  CB  CYSS  55  SG   3.10                               1DTK 702
SSUPP   CYSS  14  SG  CYSS  38  SG   2.10      SG  CYSS  38  CB   3.10  1DTK 703
SSUPP   CYSS  14  CB  CYSS  38  SG   3.10                               1DTK 704
SSUPP   CYSS  30  SG  CYSS  51  SG   2.10      SG  CYSS  51  CB   3.10  1DTK 705
SSUPP   CYSS  30  CB  CYSS  51  SG   3.10                               1DTK 706
SSLOW   CYSS   5  SG  CYSS  55  SG   2.00      SG  CYSS  55  CB   3.00  1DTK 707
SSLOW   CYSS   5  CB  CYSS  55  SG   3.00                               1DTK 708
SSLOW   CYSS  14  SG  CYSS  38  SG   2.00      SG  CYSS  38  CB   3.00  1DTK 709
SSLOW   CYSS  14  CB  CYSS  38  SG   3.00                               1DTK 710
SSLOW   CYSS  30  SG  CYSS  51  SG   2.00      SG  CYSS  51  CB   3.00  1DTK 711
SSLOW   CYSS  30  CB  CYSS  51  SG   3.00                               1DTK 712
ANGLE   LYS+   3 PHI    -75.00  -35.00        PSI    -85.00  -35.00     1DTK 713
ANGLE   LYS+   3 CHI1  -155.00 -115.00                                  1DTK 714
ANGLE   TYR    4 PHI    -95.00  -55.00        PSI   -105.00  -15.00     1DTK 715
ANGLE   TYR    4 CHI1    25.00   65.00                                  1DTK 716
ANGLE   CYSS   5 PHI    -85.00  -45.00        PSI    -85.00  -15.00     1DTK 717
ANGLE   CYSS   5 CHI1   165.00  215.00                                  1DTK 718
ANGLE   LYS+   6 PHI   -175.00  -65.00        PSI    -85.00   15.00     1DTK 719
ANGLE   LYS+   6 CHI1   145.00  335.00                                  1DTK 720
ANGLE   LEU    7 PHI    -95.00  -55.00        PSI   -105.00  225.00     1DTK 721
ANGLE   LEU    7 CHI1   175.00  305.00                                  1DTK 722
ANGLE   LEU    9 PHI    -75.00  -35.00        PSI     85.00  185.00     1DTK 723
ANGLE   LEU    9 CHI1   155.00  195.00                                  1DTK 724
ANGLE   ARG+  10 PHI   -155.00  -85.00        PSI     55.00  175.00     1DTK 725
ANGLE   ILE   11 PHI   -145.00  -55.00        PSI    -85.00  -25.00     1DTK 726
ANGLE   ILE   11 CHI1  -105.00  -35.00                                  1DTK 727
ANGLE   CYSS  14 PHI   -155.00  -75.00        PSI    165.00  225.00     1DTK 728
ANGLE   CYSS  14 CHI1   115.00  265.00                                  1DTK 729
ANGLE   LYS+  15 PHI   -165.00   45.00        PSI    -95.00   75.00     1DTK 730
ANGLE   LYS+  15 CHI1    45.00  335.00                                  1DTK 731
ANGLE   ARG+  16 PHI   -165.00  -75.00        PSI    155.00  185.00     1DTK 732
ANGLE   ARG+  16 CHI1   -95.00  -45.00                                  1DTK 733
ANGLE   LYS+  17 PHI     55.00  275.00        PSI     65.00  125.00     1DTK 734
ANGLE   ILE   18 PHI   -165.00  -75.00        PSI   -105.00  225.00     1DTK 735
ANGLE   ILE   18 CHI1  -105.00  -25.00                                  1DTK 736
ANGLE   SER   20 PHI   -155.00  -85.00        PSI    155.00  195.00     1DTK 737
ANGLE   SER   20 CHI1  -105.00  -35.00                                  1DTK 738
ANGLE   PHE   21 PHI   -155.00  -85.00        PSI    115.00  185.00     1DTK 739
ANGLE   PHE   21 CHI1   165.00  315.00                                  1DTK 740
ANGLE   TYR   22 PHI     45.00  285.00        PSI    125.00  185.00     1DTK 741
ANGLE   TYR   22 CHI1    25.00   95.00                                  1DTK 742
ANGLE   TYR   23 PHI   -155.00  -75.00        PSI     55.00  185.00     1DTK 743
ANGLE   TYR   23 CHI1   115.00  265.00                                  1DTK 744
ANGLE   LYS+  24 PHI   -135.00  -75.00        PSI     55.00  175.00     1DTK 745
ANGLE   LYS+  24 CHI1   165.00  205.00                                  1DTK 746
ANGLE   TRP   25 PHI    -75.00  -35.00        PSI   -105.00  -15.00     1DTK 747
ANGLE   TRP   25 CHI1   145.00  215.00                                  1DTK 748
ANGLE   LYS+  26 PHI    -75.00  195.00        PSI    -85.00   95.00     1DTK 749
ANGLE   LYS+  28 PHI     35.00   95.00        PSI     25.00   95.00     1DTK 750
ANGLE   LYS+  28 CHI1  -105.00   25.00                                  1DTK 751
ANGLE   GLN   29 PHI     35.00  285.00        PSI     55.00  175.00     1DTK 752
ANGLE   CYSS  30 PHI   -155.00  -75.00        PSI    135.00  165.00     1DTK 753
ANGLE   CYSS  30 CHI1   -95.00  -55.00                                  1DTK 754
ANGLE   LEU   31 PHI   -165.00  -75.00        PSI   -105.00  225.00     1DTK 755
ANGLE   LEU   31 CHI1   175.00  305.00                                  1DTK 756
ANGLE   PHE   33 PHI     35.00  305.00        PSI    155.00  285.00     1DTK 757
ANGLE   PHE   33 CHI1    55.00   95.00                                  1DTK 758
ANGLE   ASP-  34 PHI   -145.00  -75.00        PSI    105.00  175.00     1DTK 759
ANGLE   ASP-  34 CHI1   165.00  315.00                                  1DTK 760
ANGLE   TYR   35 PHI     35.00  305.00        PSI   -105.00  225.00     1DTK 761
ANGLE   SER   36 PHI    -85.00  -45.00        PSI    -95.00   15.00     1DTK 762
ANGLE   SER   36 CHI1    35.00   85.00                                  1DTK 763
ANGLE   CYSS  38 PHI     35.00  305.00        PSI    145.00  225.00     1DTK 764
ANGLE   CYSS  38 CHI1  -215.00  135.00                                  1DTK 765
ANGLE   ASN   41 PHI     35.00  285.00        PSI    165.00  215.00     1DTK 766
ANGLE   ASN   41 CHI1    45.00   75.00                                  1DTK 767
ANGLE   ASN   43 PHI   -145.00  -75.00        PSI     45.00  185.00     1DTK 768
ANGLE   ASN   43 CHI1   165.00  215.00                                  1DTK 769
ANGLE   ARG+  44 PHI   -175.00  -65.00        PSI     65.00  165.00     1DTK 770
ANGLE   ARG+  44 CHI1   155.00  325.00                                  1DTK 771
ANGLE   PHE   45 PHI   -155.00  -85.00        PSI    135.00  175.00     1DTK 772
ANGLE   PHE   45 CHI1   -95.00  -35.00                                  1DTK 773
ANGLE   LYS+  46 PHI     45.00  315.00        PSI    -45.00   85.00     1DTK 774
ANGLE   THR   47 PHI     55.00  245.00        PSI    145.00  175.00     1DTK 775
ANGLE   THR   47 CHI1    45.00   75.00                                  1DTK 776
ANGLE   ILE   48 PHI    -75.00  -45.00        PSI    -75.00   -5.00     1DTK 777
ANGLE   ILE   48 CHI1   165.00  235.00                                  1DTK 778
ANGLE   GLU-  49 PHI     35.00  325.00        PSI    -95.00   95.00     1DTK 779
ANGLE   GLU-  50 PHI     35.00  315.00        PSI    -85.00   85.00     1DTK 780
ANGLE   CYSS  51 PHI    -85.00  -45.00        PSI    -85.00  -25.00     1DTK 781
ANGLE   CYSS  51 CHI1   165.00  215.00                                  1DTK 782
ANGLE   ARG+  52 PHI    -75.00  -35.00        PSI    -85.00  -15.00     1DTK 783
ANGLE   ARG+  52 CHI1   165.00  205.00                                  1DTK 784
ANGLE   ARG+  53 PHI    -75.00  195.00        PSI    -85.00   85.00     1DTK 785
ANGLE   THR   54 PHI    175.00  305.00        PSI    -85.00  -25.00     1DTK 786
ANGLE   THR   54 CHI1  -135.00    5.00                                  1DTK 787
ANGLE   CYSS  55 PHI   -155.00  -85.00        PSI    145.00  345.00     1DTK 788
ANGLE   CYSS  55 CHI1   165.00  315.00                                  1DTK 789
ANGLE   VAL   56 PHI   -155.00  -75.00        PSI    155.00  195.00     1DTK 790
ANGLE   VAL   56 CHI1   155.00  215.00                                  1DTK 791
MASTER       96    0  132   47  424    6   79                           1DTK 792
END                                                                     1DTK 793


  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had  626 H/Q atoms
  Start of MODEL    1
    1    H    ALA   1           HN       ALA   1   7.104  -5.770  10.494
    2    HA   ALA   1           HA       ALA   1   7.212  -6.036   8.031
    3   1HB   ALA   1          1HB       ALA   1   9.206  -5.581   9.184
    4   2HB   ALA   1          2HB       ALA   1   9.500  -7.332   9.380
    5   3HB   ALA   1          3HB       ALA   1   9.423  -6.596   7.742
    6    QB   ALA   1           QB       ALA   1   9.376  -6.503   8.769
    7    H    ALA   2           HN       ALA   2   7.061  -7.243   6.235
    8    HA   ALA   2           HA       ALA   2   6.752 -10.169   6.330
    9   1HB   ALA   2          3HB       ALA   2   4.596  -8.177   5.465
   10   2HB   ALA   2          1HB       ALA   2   4.586  -9.924   5.105
   11   3HB   ALA   2          2HB       ALA   2   4.462  -9.360   6.789
   12    QB   ALA   2           QB       ALA   2   4.548  -9.153   5.787
   13    H    LYS   3           HN       LYS   3   7.125 -11.010   4.243
   14    HA   LYS   3           HA       LYS   3   9.091  -9.802   2.744
   15   1HB   LYS   3          2HB       LYS   3   7.454 -12.203   2.539
   16   2HB   LYS   3          3HB       LYS   3   7.518 -11.455   0.962
   17   1HG   LYS   3          2HG       LYS   3   9.321 -12.972   1.042
   18   2HG   LYS   3          3HG       LYS   3   9.989 -11.345   1.079
   19   1HD   LYS   3          2HD       LYS   3  11.237 -12.693   2.595
   20   2HD   LYS   3          3HD       LYS   3  10.296 -11.573   3.585
   21   1HE   LYS   3          2HE       LYS   3   8.690 -13.333   4.155
   22   2HE   LYS   3          3HE       LYS   3   9.402 -14.435   2.966
   23   1HZ   LYS   3          1HZ       LYS   3  10.759 -13.464   5.394
   24   2HZ   LYS   3          2HZ       LYS   3  10.098 -14.952   5.183
   25   3HZ   LYS   3          3HZ       LYS   3  11.393 -14.502   4.285
   26    QB   LYS   3           QB       LYS   3   7.486 -11.829   1.751
   27    QG   LYS   3           QG       LYS   3   9.655 -12.158   1.061
   28    QD   LYS   3           QD       LYS   3  10.767 -12.133   3.090
   29    QE   LYS   3           QE       LYS   3   9.046 -13.884   3.561
   30    QZ   LYS   3           QZ       LYS   3  10.750 -14.306   4.954
   31    OH   TYR   4           OH       TYR   4   0.721  -8.735   5.074
   32    H    TYR   4           HN       TYR   4   5.588  -9.767   1.931
   33    HA   TYR   4           HA       TYR   4   5.893  -8.338  -0.491
   34   1HB   TYR   4          2HB       TYR   4   3.491  -8.016  -0.291
   35   2HB   TYR   4          3HB       TYR   4   3.988  -9.676   0.024
   36    HD1  TYR   4           HD2      TYR   4   2.702  -6.546   1.606
   37    HD2  TYR   4           HD1      TYR   4   3.480 -10.763   2.101
   38    HE1  TYR   4           HE2      TYR   4   1.230  -6.589   3.581
   39    HE2  TYR   4           HE1      TYR   4   2.050 -10.780   4.123
   40    HH   TYR   4           HH       TYR   4   0.198  -7.940   5.200
   41    QB   TYR   4           QB       TYR   4   3.740  -8.846  -0.133
   42    QR   TYR   4           QR       TYR   4   2.366  -8.669   2.853
   43    H    CYS   5           HN       CYS   5   6.140  -7.178   2.746
   44    HA   CYS   5           HA       CYS   5   5.076  -4.558   2.473
   45   1HB   CYS   5          2HB       CYS   5   5.875  -5.692   4.584
   46   2HB   CYS   5          3HB       CYS   5   7.533  -5.302   4.100
   47    QB   CYS   5           QB       CYS   5   6.704  -5.497   4.342
   48    H    LYS   6           HN       LYS   6   7.963  -6.000   1.210
   49    HA   LYS   6           HA       LYS   6   9.370  -3.556   0.532
   50   1HB   LYS   6          2HB       LYS   6   9.643  -6.447  -0.294
   51   2HB   LYS   6          3HB       LYS   6  10.541  -5.148  -1.124
   52   1HG   LYS   6          2HG       LYS   6  11.576  -4.391   0.846
   53   2HG   LYS   6          3HG       LYS   6  10.550  -5.381   1.893
   54   1HD   LYS   6          2HD       LYS   6  12.799  -6.176   1.802
   55   2HD   LYS   6          3HD       LYS   6  11.674  -7.398   1.196
   56   1HE   LYS   6          2HE       LYS   6  13.343  -5.536  -0.593
   57   2HE   LYS   6          3HE       LYS   6  13.931  -7.103  -0.032
   58   1HZ   LYS   6          3HZ       LYS   6  11.522  -6.754  -1.684
   59   2HZ   LYS   6          1HZ       LYS   6  12.996  -7.237  -2.222
   60   3HZ   LYS   6          2HZ       LYS   6  12.155  -8.180  -1.173
   61    QB   LYS   6           QB       LYS   6  10.092  -5.797  -0.709
   62    QG   LYS   6           QG       LYS   6  11.063  -4.886   1.370
   63    QD   LYS   6           QD       LYS   6  12.237  -6.787   1.499
   64    QE   LYS   6           QE       LYS   6  13.637  -6.319  -0.312
   65    QZ   LYS   6           QZ       LYS   6  12.224  -7.390  -1.693
   66    H    LEU   7           HN       LEU   7   6.538  -4.978  -0.928
   67    HA   LEU   7           HA       LEU   7   7.151  -4.334  -3.615
   68   1HB   LEU   7          2HB       LEU   7   4.541  -4.680  -2.139
   69   2HB   LEU   7          3HB       LEU   7   4.634  -4.377  -3.872
   70    HG   LEU   7           HG       LEU   7   6.311  -6.631  -2.807
   71   1HD1  LEU   7          1HD1      LEU   7   3.701  -6.752  -2.064
   72   2HD1  LEU   7          2HD1      LEU   7   3.586  -7.417  -3.710
   73   3HD1  LEU   7          3HD1      LEU   7   4.664  -8.168  -2.556
   74   1HD2  LEU   7          3HD2      LEU   7   4.667  -6.182  -5.352
   75   2HD2  LEU   7          1HD2      LEU   7   6.422  -5.942  -5.205
   76   3HD2  LEU   7          2HD2      LEU   7   5.726  -7.571  -5.040
   77    QB   LEU   7           QB       LEU   7   4.588  -4.528  -3.005
   78    QD1  LEU   7           QD1      LEU   7   3.984  -7.445  -2.776
   79    QD2  LEU   7           QD2      LEU   7   5.605  -6.565  -5.199
   80    QQD  LEU   7           QQD      LEU   7   4.794  -7.005  -3.987
   81    HA   PRO   8           HA       PRO   8   7.050   0.050  -3.291
   82   1HB   PRO   8          2HB       PRO   8   7.222   0.803  -5.906
   83   2HB   PRO   8          3HB       PRO   8   8.459  -0.229  -5.141
   84   1HG   PRO   8          2HG       PRO   8   6.052  -1.172  -6.741
   85   2HG   PRO   8          3HG       PRO   8   7.775  -1.534  -7.071
   86   1HD   PRO   8          2HD       PRO   8   6.267  -3.250  -5.613
   87   2HD   PRO   8          3HD       PRO   8   7.956  -2.884  -5.135
   88    QB   PRO   8           QB       PRO   8   7.841   0.287  -5.523
   89    QG   PRO   8           QG       PRO   8   6.914  -1.353  -6.906
   90    QD   PRO   8           QD       PRO   8   7.112  -3.067  -5.374
   91    H    LEU   9           HN       LEU   9   5.983   2.032  -4.707
   92    HA   LEU   9           HA       LEU   9   3.259   2.089  -3.877
   93   1HB   LEU   9          2HB       LEU   9   4.575   4.124  -3.919
   94   2HB   LEU   9          3HB       LEU   9   4.779   4.016  -5.666
   95    HG   LEU   9           HG       LEU   9   2.461   4.435  -6.086
   96   1HD1  LEU   9          2HD1      LEU   9   1.960   4.061  -3.109
   97   2HD1  LEU   9          3HD1      LEU   9   0.815   4.815  -4.216
   98   3HD1  LEU   9          1HD1      LEU   9   1.262   3.125  -4.438
   99   1HD2  LEU   9          1HD2      LEU   9   3.845   6.401  -5.476
  100   2HD2  LEU   9          2HD2      LEU   9   2.133   6.626  -5.071
  101   3HD2  LEU   9          3HD2      LEU   9   3.302   6.244  -3.789
  102    QB   LEU   9           QB       LEU   9   4.677   4.070  -4.792
  103    QD1  LEU   9           QD1      LEU   9   1.346   4.001  -3.921
  104    QD2  LEU   9           QD2      LEU   9   3.093   6.424  -4.778
  105    QQD  LEU   9           QQD      LEU   9   2.220   5.212  -4.349
  106    NH1  ARG  10           NH2      ARG  10   3.262  -4.971 -10.084
  107    NH2  ARG  10           NH1      ARG  10   1.078  -5.604 -10.581
  108    H    ARG  10           HN       ARG  10   2.499   0.264  -4.880
  109    HA   ARG  10           HA       ARG  10   2.200   0.200  -7.787
  110   1HB   ARG  10          2HB       ARG  10   2.921  -1.715  -6.324
  111   2HB   ARG  10          3HB       ARG  10   1.359  -1.629  -5.525
  112   1HG   ARG  10          2HG       ARG  10   1.239  -3.437  -7.040
  113   2HG   ARG  10          3HG       ARG  10   0.277  -2.124  -7.745
  114   1HD   ARG  10          2HD       ARG  10   2.077  -1.602  -9.323
  115   2HD   ARG  10          3HD       ARG  10   3.128  -2.806  -8.548
  116    HE   ARG  10           HE       ARG  10   0.432  -3.484  -9.704
  117   1HH1  ARG  10          2HH2      ARG  10   3.906  -4.271  -9.753
  118   2HH1  ARG  10          1HH2      ARG  10   3.635  -5.849 -10.416
  119   1HH2  ARG  10          2HH1      ARG  10   0.092  -5.386 -10.426
  120   2HH2  ARG  10          1HH1      ARG  10   1.341  -6.483 -10.996
  121    QB   ARG  10           QB       ARG  10   2.140  -1.672  -5.924
  122    QG   ARG  10           QG       ARG  10   0.758  -2.780  -7.392
  123    QD   ARG  10           QD       ARG  10   2.603  -2.204  -8.935
  124    QH1  ARG  10           QH2      ARG  10   3.771  -5.060 -10.084
  125    QH2  ARG  10           QH1      ARG  10   0.717  -5.934 -10.711
  126    H    ILE  11           HN       ILE  11   0.799   2.120  -7.898
  127    HA   ILE  11           HA       ILE  11  -1.847   2.167  -6.792
  128    HB   ILE  11           HB       ILE  11  -0.796   3.483  -9.327
  129   1HG1  ILE  11          2HG1      ILE  11  -0.979   4.474  -6.441
  130   2HG1  ILE  11          3HG1      ILE  11   0.510   4.076  -7.309
  131   1HG2  ILE  11          2HG2      ILE  11  -3.276   4.006  -7.625
  132   2HG2  ILE  11          3HG2      ILE  11  -2.731   5.062  -8.937
  133   3HG2  ILE  11          1HG2      ILE  11  -3.263   3.429  -9.295
  134   1HD1  ILE  11          1HD1      ILE  11  -0.025   5.885  -8.972
  135   2HD1  ILE  11          2HD1      ILE  11  -1.333   6.409  -7.876
  136   3HD1  ILE  11          3HD1      ILE  11   0.344   6.427  -7.322
  137    QG1  ILE  11           QG1      ILE  11  -0.234   4.275  -6.875
  138    QG2  ILE  11           QG2      ILE  11  -3.090   4.166  -8.619
  139    QD1  ILE  11           QD1      ILE  11  -0.338   6.241  -8.056
  140    H    GLY  12           HN       GLY  12  -0.460   0.677  -9.668
  141   1HA   GLY  12          1HA       GLY  12  -1.203  -1.110 -10.847
  142   2HA   GLY  12          2HA       GLY  12  -2.714  -1.163  -9.953
  143    QA   GLY  12           QA       GLY  12  -1.958  -1.136 -10.400
  144    HA   PRO  13           HA       PRO  13  -2.446   1.476 -13.982
  145   1HB   PRO  13          2HB       PRO  13  -2.506  -0.134 -16.166
  146   2HB   PRO  13          3HB       PRO  13  -1.084  -0.092 -15.095
  147   1HG   PRO  13          2HG       PRO  13  -3.406  -2.054 -14.946
  148   2HG   PRO  13          3HG       PRO  13  -1.670  -2.452 -15.134
  149   1HD   PRO  13          2HD       PRO  13  -2.815  -2.391 -12.658
  150   2HD   PRO  13          3HD       PRO  13  -1.182  -1.714 -12.934
  151    QB   PRO  13           QB       PRO  13  -1.795  -0.113 -15.630
  152    QG   PRO  13           QG       PRO  13  -2.538  -2.253 -15.040
  153    QD   PRO  13           QD       PRO  13  -1.998  -2.052 -12.796
  154    H    CYS  14           HN       CYS  14  -4.940   0.848 -12.451
  155    HA   CYS  14           HA       CYS  14  -6.912   0.978 -14.714
  156   1HB   CYS  14          2HB       CYS  14  -6.893  -0.376 -12.121
  157   2HB   CYS  14          3HB       CYS  14  -8.313   0.563 -12.399
  158    QB   CYS  14           QB       CYS  14  -7.603   0.094 -12.260
  159    H    LYS  15           HN       LYS  15  -8.764   2.345 -14.151
  160    HA   LYS  15           HA       LYS  15  -7.487   4.993 -13.641
  161   1HB   LYS  15          2HB       LYS  15  -8.676   5.851 -15.447
  162   2HB   LYS  15          3HB       LYS  15  -8.085   4.284 -15.944
  163   1HG   LYS  15          2HG       LYS  15 -10.157   3.887 -16.701
  164   2HG   LYS  15          3HG       LYS  15 -10.572   3.555 -15.025
  165   1HD   LYS  15          2HD       LYS  15 -12.100   5.207 -15.148
  166   2HD   LYS  15          3HD       LYS  15 -10.783   6.375 -15.232
  167   1HE   LYS  15          2HE       LYS  15 -10.726   6.055 -17.748
  168   2HE   LYS  15          3HE       LYS  15 -12.178   5.046 -17.595
  169   1HZ   LYS  15          3HZ       LYS  15 -13.289   6.966 -16.609
  170   2HZ   LYS  15          1HZ       LYS  15 -11.941   7.884 -16.834
  171   3HZ   LYS  15          2HZ       LYS  15 -12.755   7.286 -18.130
  172    QB   LYS  15           QB       LYS  15  -8.380   5.068 -15.695
  173    QG   LYS  15           QG       LYS  15 -10.364   3.721 -15.863
  174    QD   LYS  15           QD       LYS  15 -11.441   5.791 -15.190
  175    QE   LYS  15           QE       LYS  15 -11.452   5.551 -17.671
  176    QZ   LYS  15           QZ       LYS  15 -12.662   7.379 -17.191
  177    NH1  ARG  16           NH2      ARG  16 -12.429  -1.748 -10.171
  178    NH2  ARG  16           NH1      ARG  16 -11.861  -1.303  -7.971
  179    H    ARG  16           HN       ARG  16  -8.353   3.694 -11.527
  180    HA   ARG  16           HA       ARG  16 -10.875   4.969 -10.595
  181   1HB   ARG  16          2HB       ARG  16  -9.517   2.342 -10.032
  182   2HB   ARG  16          3HB       ARG  16 -10.809   2.952  -8.964
  183   1HG   ARG  16          2HG       ARG  16 -12.458   2.638 -10.586
  184   2HG   ARG  16          3HG       ARG  16 -11.319   2.736 -11.929
  185   1HD   ARG  16          2HD       ARG  16 -12.208   0.459 -11.553
  186   2HD   ARG  16          3HD       ARG  16 -10.439   0.541 -11.506
  187    HE   ARG  16           HE       ARG  16 -10.707   0.695  -8.951
  188   1HH1  ARG  16          2HH2      ARG  16 -12.359  -1.518 -11.150
  189   2HH1  ARG  16          1HH2      ARG  16 -12.860  -2.624  -9.914
  190   1HH2  ARG  16          2HH1      ARG  16 -11.372  -0.731  -7.295
  191   2HH2  ARG  16          1HH1      ARG  16 -12.330  -2.136  -7.648
  192    QB   ARG  16           QB       ARG  16 -10.163   2.647  -9.498
  193    QG   ARG  16           QG       ARG  16 -11.888   2.687 -11.257
  194    QD   ARG  16           QD       ARG  16 -11.323   0.500 -11.529
  195    QH1  ARG  16           QH2      ARG  16 -12.609  -2.071 -10.532
  196    QH2  ARG  16           QH1      ARG  16 -11.851  -1.433  -7.471
  197    H    LYS  17           HN       LYS  17 -10.756   5.116  -8.076
  198    HA   LYS  17           HA       LYS  17  -8.092   5.617  -6.999
  199   1HB   LYS  17          2HB       LYS  17  -8.349   7.937  -6.554
  200   2HB   LYS  17          3HB       LYS  17  -8.615   7.676  -8.272
  201   1HG   LYS  17          2HG       LYS  17 -11.152   7.631  -7.644
  202   2HG   LYS  17          3HG       LYS  17 -10.595   8.326  -6.095
  203   1HD   LYS  17          2HD       LYS  17  -9.336  10.072  -7.556
  204   2HD   LYS  17          3HD       LYS  17 -10.346   9.515  -8.894
  205   1HE   LYS  17          2HE       LYS  17 -11.198  10.803  -6.255
  206   2HE   LYS  17          3HE       LYS  17 -11.391  11.471  -7.882
  207   1HZ   LYS  17          1HZ       LYS  17 -12.952   9.666  -8.332
  208   2HZ   LYS  17          2HZ       LYS  17 -12.778   9.109  -6.790
  209   3HZ   LYS  17          3HZ       LYS  17 -13.446  10.587  -7.059
  210    QB   LYS  17           QB       LYS  17  -8.482   7.807  -7.413
  211    QG   LYS  17           QG       LYS  17 -10.873   7.979  -6.869
  212    QD   LYS  17           QD       LYS  17  -9.841   9.794  -8.225
  213    QE   LYS  17           QE       LYS  17 -11.294  11.137  -7.068
  214    QZ   LYS  17           QZ       LYS  17 -13.059   9.788  -7.393
  215    H    ILE  18           HN       ILE  18  -8.275   4.445  -5.214
  216    HA   ILE  18           HA       ILE  18 -10.714   4.604  -3.516
  217    HB   ILE  18           HB       ILE  18  -9.043   2.166  -4.196
  218   1HG1  ILE  18          2HG1      ILE  18 -11.945   2.893  -4.815
  219   2HG1  ILE  18          3HG1      ILE  18 -10.611   2.833  -5.980
  220   1HG2  ILE  18          2HG2      ILE  18  -9.774   2.164  -1.803
  221   2HG2  ILE  18          3HG2      ILE  18 -11.452   2.407  -2.340
  222   3HG2  ILE  18          1HG2      ILE  18 -10.576   0.915  -2.744
  223   1HD1  ILE  18          2HD1      ILE  18 -10.317   0.390  -5.455
  224   2HD1  ILE  18          3HD1      ILE  18 -11.846   0.473  -4.539
  225   3HD1  ILE  18          1HD1      ILE  18 -11.830   0.868  -6.263
  226    QG1  ILE  18           QG1      ILE  18 -11.278   2.863  -5.397
  227    QG2  ILE  18           QG2      ILE  18 -10.601   1.829  -2.295
  228    QD1  ILE  18           QD1      ILE  18 -11.331   0.577  -5.419
  229    HA   PRO  19           HA       PRO  19  -7.189   6.150  -1.154
  230   1HB   PRO  19          2HB       PRO  19  -8.456   6.848   1.198
  231   2HB   PRO  19          3HB       PRO  19  -8.447   7.830  -0.296
  232   1HG   PRO  19          2HG       PRO  19 -10.577   5.897   0.622
  233   2HG   PRO  19          3HG       PRO  19 -10.796   7.565   0.009
  234   1HD   PRO  19          2HD       PRO  19 -11.151   5.427  -1.582
  235   2HD   PRO  19          3HD       PRO  19 -10.316   6.872  -2.240
  236    QB   PRO  19           QB       PRO  19  -8.451   7.339   0.451
  237    QG   PRO  19           QG       PRO  19 -10.686   6.731   0.316
  238    QD   PRO  19           QD       PRO  19 -10.733   6.150  -1.911
  239    H    SER  20           HN       SER  20  -5.725   4.799  -0.299
  240    HA   SER  20           HA       SER  20  -6.418   2.791   1.765
  241   1HB   SER  20          2HB       SER  20  -4.648   2.033  -0.589
  242   2HB   SER  20          3HB       SER  20  -5.409   0.975   0.600
  243    HG   SER  20           HG       SER  20  -6.822   2.525  -1.312
  244    QB   SER  20           QB       SER  20  -5.028   1.504   0.006
  245    H    PHE  21           HN       PHE  21  -4.185   1.744   2.346
  246    HA   PHE  21           HA       PHE  21  -2.038   3.800   2.479
  247   1HB   PHE  21          2HB       PHE  21  -2.988   1.937   4.690
  248   2HB   PHE  21          3HB       PHE  21  -1.523   2.906   4.753
  249    HD1  PHE  21           HD2      PHE  21  -5.248   3.084   4.640
  250    HD2  PHE  21           HD1      PHE  21  -1.593   5.276   5.261
  251    HE1  PHE  21           HE2      PHE  21  -6.516   4.874   5.793
  252    HE2  PHE  21           HE1      PHE  21  -2.863   7.056   6.435
  253    HZ   PHE  21           HZ       PHE  21  -5.319   6.849   6.722
  254    QB   PHE  21           QB       PHE  21  -2.255   2.422   4.722
  255    QR   PHE  21           QR       PHE  21  -4.055   5.073   5.533
  256    OH   TYR  22           OH       TYR  22   4.803   4.874  -1.571
  257    H    TYR  22           HN       TYR  22   0.055   2.978   2.128
  258    HA   TYR  22           HA       TYR  22   0.436   0.047   2.026
  259   1HB   TYR  22          2HB       TYR  22   1.458   0.057  -0.002
  260   2HB   TYR  22          3HB       TYR  22   0.096   1.086  -0.364
  261    HD1  TYR  22           HD2      TYR  22   0.783   3.764   0.220
  262    HD2  TYR  22           HD1      TYR  22   3.475   0.584  -0.916
  263    HE1  TYR  22           HE2      TYR  22   2.458   5.430  -0.507
  264    HE2  TYR  22           HE1      TYR  22   5.114   2.245  -1.691
  265    HH   TYR  22           HH       TYR  22   5.539   4.455  -2.014
  266    QB   TYR  22           QB       TYR  22   0.777   0.572  -0.183
  267    QR   TYR  22           QR       TYR  22   2.958   3.006  -0.723
  268    OH   TYR  23           OH       TYR  23   9.186   0.314   7.421
  269    H    TYR  23           HN       TYR  23   2.853  -0.398   2.060
  270    HA   TYR  23           HA       TYR  23   4.222   1.588   3.830
  271   1HB   TYR  23          2HB       TYR  23   3.894  -0.787   4.603
  272   2HB   TYR  23          3HB       TYR  23   4.955  -1.282   3.303
  273    HD1  TYR  23           HD2      TYR  23   4.735   0.475   6.536
  274    HD2  TYR  23           HD1      TYR  23   7.377  -0.835   3.425
  275    HE1  TYR  23           HE2      TYR  23   6.666   0.890   8.023
  276    HE2  TYR  23           HE1      TYR  23   9.288  -0.676   5.012
  277    HH   TYR  23           HH       TYR  23   9.090   1.100   7.976
  278    QB   TYR  23           QB       TYR  23   4.425  -1.034   3.953
  279    QR   TYR  23           QR       TYR  23   7.017  -0.036   5.749
  280    H    LYS  24           HN       LYS  24   5.548   2.993   2.764
  281    HA   LYS  24           HA       LYS  24   6.798   2.181   0.202
  282   1HB   LYS  24          2HB       LYS  24   5.966   4.460   0.618
  283   2HB   LYS  24          3HB       LYS  24   7.109   4.662   1.935
  284   1HG   LYS  24          2HG       LYS  24   8.992   4.445   0.368
  285   2HG   LYS  24          3HG       LYS  24   7.876   4.099  -0.974
  286   1HD   LYS  24          2HD       LYS  24   6.898   6.369  -0.762
  287   2HD   LYS  24          3HD       LYS  24   7.811   6.633   0.713
  288   1HE   LYS  24          2HE       LYS  24   8.947   7.883  -0.907
  289   2HE   LYS  24          3HE       LYS  24   9.969   6.479  -0.585
  290   1HZ   LYS  24          3HZ       LYS  24   8.152   6.790  -2.894
  291   2HZ   LYS  24          1HZ       LYS  24   9.774   7.019  -2.916
  292   3HZ   LYS  24          2HZ       LYS  24   9.170   5.516  -2.637
  293    QB   LYS  24           QB       LYS  24   6.538   4.561   1.277
  294    QG   LYS  24           QG       LYS  24   8.434   4.272  -0.303
  295    QD   LYS  24           QD       LYS  24   7.355   6.501  -0.024
  296    QE   LYS  24           QE       LYS  24   9.458   7.181  -0.746
  297    QZ   LYS  24           QZ       LYS  24   9.032   6.442  -2.815
  298    CH2  TRP  25           CH2      TRP  25  11.899  -4.665   5.240
  299    H    TRP  25           HN       TRP  25   7.998   0.298   0.970
  300    HA   TRP  25           HA       TRP  25   9.825   0.267   3.085
  301   1HB   TRP  25          2HB       TRP  25   9.131  -1.663   1.712
  302   2HB   TRP  25          3HB       TRP  25  10.146  -1.076   0.390
  303    HD1  TRP  25           HD1      TRP  25  12.780  -1.428   0.638
  304    HE1  TRP  25           HE1      TRP  25  14.236  -2.898   2.112
  305    HE3  TRP  25           HE3      TRP  25   9.223  -2.975   3.956
  306    HZ2  TRP  25           HZ2      TRP  25  13.905  -4.595   4.438
  307    HZ3  TRP  25           HZ3      TRP  25   9.816  -4.537   5.787
  308    HH2  TRP  25           HH2      TRP  25  12.144  -5.374   6.018
  309    QB   TRP  25           QB       TRP  25   9.639  -1.369   1.051
  310    H    LYS  26           HN       LYS  26  10.240   1.770  -0.043
  311    HA   LYS  26           HA       LYS  26  13.072   2.231   0.216
  312   1HB   LYS  26          2HB       LYS  26  11.578   2.113  -1.867
  313   2HB   LYS  26          3HB       LYS  26  11.091   3.776  -1.498
  314   1HG   LYS  26          2HG       LYS  26  13.322   4.582  -1.794
  315   2HG   LYS  26          3HG       LYS  26  14.017   2.955  -1.757
  316   1HD   LYS  26          2HD       LYS  26  12.201   3.953  -4.004
  317   2HD   LYS  26          3HD       LYS  26  13.971   4.048  -3.996
  318   1HE   LYS  26          2HE       LYS  26  14.152   1.590  -3.784
  319   2HE   LYS  26          3HE       LYS  26  12.389   1.435  -3.826
  320   1HZ   LYS  26          3HZ       LYS  26  14.050   2.509  -6.011
  321   2HZ   LYS  26          1HZ       LYS  26  13.385   1.012  -5.949
  322   3HZ   LYS  26          2HZ       LYS  26  12.414   2.331  -6.046
  323    QB   LYS  26           QB       LYS  26  11.335   2.945  -1.682
  324    QG   LYS  26           QG       LYS  26  13.670   3.769  -1.775
  325    QD   LYS  26           QD       LYS  26  13.086   4.001  -4.000
  326    QE   LYS  26           QE       LYS  26  13.271   1.513  -3.805
  327    QZ   LYS  26           QZ       LYS  26  13.283   1.951  -6.002
  328    H    ALA  27           HN       ALA  27  10.494   3.570   1.946
  329    HA   ALA  27           HA       ALA  27  12.154   5.914   2.789
  330   1HB   ALA  27          3HB       ALA  27   9.126   5.593   2.837
  331   2HB   ALA  27          1HB       ALA  27  10.043   6.929   3.561
  332   3HB   ALA  27          2HB       ALA  27  10.081   6.691   1.806
  333    QB   ALA  27           QB       ALA  27   9.750   6.405   2.735
  334    H    LYS  28           HN       LYS  28  10.002   3.309   3.774
  335    HA   LYS  28           HA       LYS  28  10.169   1.793   5.397
  336   1HB   LYS  28          2HB       LYS  28  11.895   3.666   7.057
  337   2HB   LYS  28          3HB       LYS  28  11.453   2.029   7.480
  338   1HG   LYS  28          2HG       LYS  28  13.055   2.708   4.999
  339   2HG   LYS  28          3HG       LYS  28  13.752   2.279   6.566
  340   1HD   LYS  28          2HD       LYS  28  12.568   0.103   6.547
  341   2HD   LYS  28          3HD       LYS  28  11.911   0.447   4.945
  342   1HE   LYS  28          2HE       LYS  28  14.872   0.195   5.668
  343   2HE   LYS  28          3HE       LYS  28  13.889  -0.998   4.801
  344   1HZ   LYS  28          1HZ       LYS  28  13.513   0.704   3.111
  345   2HZ   LYS  28          2HZ       LYS  28  14.594   1.690   3.823
  346   3HZ   LYS  28          3HZ       LYS  28  15.087   0.241   3.206
  347    QB   LYS  28           QB       LYS  28  11.674   2.848   7.269
  348    QG   LYS  28           QG       LYS  28  13.404   2.494   5.783
  349    QD   LYS  28           QD       LYS  28  12.240   0.275   5.746
  350    QE   LYS  28           QE       LYS  28  14.381  -0.401   5.235
  351    QZ   LYS  28           QZ       LYS  28  14.398   0.879   3.380
  352    H    GLN  29           HN       GLN  29   8.102   3.801   4.921
  353    HA   GLN  29           HA       GLN  29   6.759   3.375   7.494
  354   1HB   GLN  29          2HB       GLN  29   7.214   6.163   6.373
  355   2HB   GLN  29          3HB       GLN  29   5.792   5.765   7.337
  356   1HG   GLN  29          2HG       GLN  29   7.328   4.855   9.140
  357   2HG   GLN  29          3HG       GLN  29   8.669   5.631   8.284
  358   1HE2  GLN  29          2HE2      GLN  29   7.404   8.973   9.037
  359   2HE2  GLN  29          1HE2      GLN  29   8.306   8.076   7.827
  360    QB   GLN  29           QB       GLN  29   6.503   5.964   6.855
  361    QG   GLN  29           QG       GLN  29   7.999   5.243   8.712
  362    QE2  GLN  29           QE2      GLN  29   7.855   8.525   8.432
  363    H    CYS  30           HN       CYS  30   4.575   3.730   7.494
  364    HA   CYS  30           HA       CYS  30   3.113   2.809   5.149
  365   1HB   CYS  30          2HB       CYS  30   2.249   3.693   7.912
  366   2HB   CYS  30          3HB       CYS  30   1.176   3.010   6.682
  367    QB   CYS  30           QB       CYS  30   1.713   3.352   7.297
  368    H    LEU  31           HN       LEU  31   1.935   4.148   3.784
  369    HA   LEU  31           HA       LEU  31   1.525   6.986   4.572
  370   1HB   LEU  31          2HB       LEU  31   2.561   6.003   1.885
  371   2HB   LEU  31          3HB       LEU  31   2.275   7.690   2.323
  372    HG   LEU  31           HG       LEU  31   4.403   5.871   3.559
  373   1HD1  LEU  31          2HD1      LEU  31   4.775   6.367   1.164
  374   2HD1  LEU  31          3HD1      LEU  31   4.684   8.103   1.513
  375   3HD1  LEU  31          1HD1      LEU  31   5.990   7.123   2.215
  376   1HD2  LEU  31          3HD2      LEU  31   4.031   8.885   3.788
  377   2HD2  LEU  31          1HD2      LEU  31   3.734   7.725   5.094
  378   3HD2  LEU  31          2HD2      LEU  31   5.374   7.922   4.459
  379    QB   LEU  31           QB       LEU  31   2.418   6.847   2.104
  380    QD1  LEU  31           QD1      LEU  31   5.150   7.198   1.631
  381    QD2  LEU  31           QD2      LEU  31   4.380   8.178   4.447
  382    QQD  LEU  31           QQD      LEU  31   4.765   7.688   3.039
  383    HA   PRO  32           HA       PRO  32  -2.451   6.103   2.634
  384   1HB   PRO  32          2HB       PRO  32  -3.425   8.635   2.335
  385   2HB   PRO  32          3HB       PRO  32  -3.305   7.842   3.926
  386   1HG   PRO  32          2HG       PRO  32  -1.375   9.808   2.670
  387   2HG   PRO  32          3HG       PRO  32  -2.018   9.820   4.337
  388   1HD   PRO  32          2HD       PRO  32   0.438   8.799   3.665
  389   2HD   PRO  32          3HD       PRO  32  -0.541   8.107   4.998
  390    QB   PRO  32           QB       PRO  32  -3.365   8.239   3.131
  391    QG   PRO  32           QG       PRO  32  -1.696   9.814   3.504
  392    QD   PRO  32           QD       PRO  32  -0.051   8.453   4.332
  393    H    PHE  33           HN       PHE  33  -3.372   6.254   0.478
  394    HA   PHE  33           HA       PHE  33  -2.458   8.090  -1.510
  395   1HB   PHE  33          2HB       PHE  33  -1.263   6.659  -2.960
  396   2HB   PHE  33          3HB       PHE  33  -0.482   6.448  -1.414
  397    HD1  PHE  33           HD2      PHE  33  -1.711   4.429   0.089
  398    HD2  PHE  33           HD1      PHE  33  -1.602   4.730  -4.217
  399    HE1  PHE  33           HE2      PHE  33  -2.081   1.992  -0.118
  400    HE2  PHE  33           HE1      PHE  33  -1.594   2.285  -4.377
  401    HZ   PHE  33           HZ       PHE  33  -1.726   0.894  -2.256
  402    QB   PHE  33           QB       PHE  33  -0.872   6.554  -2.187
  403    QR   PHE  33           QR       PHE  33  -1.747   3.359  -2.155
  404    H    ASP  34           HN       ASP  34  -3.353   6.961  -3.808
  405    HA   ASP  34           HA       ASP  34  -6.033   5.798  -3.180
  406   1HB   ASP  34          2HB       ASP  34  -5.088   7.834  -5.179
  407   2HB   ASP  34          3HB       ASP  34  -6.254   6.630  -5.727
  408    QB   ASP  34           QB       ASP  34  -5.671   7.232  -5.453
  409    OH   TYR  35           OH       TYR  35  -5.351  -3.808  -7.031
  410    H    TYR  35           HN       TYR  35  -6.255   3.735  -3.750
  411    HA   TYR  35           HA       TYR  35  -4.328   2.450  -5.610
  412   1HB   TYR  35          2HB       TYR  35  -4.986   1.257  -3.572
  413   2HB   TYR  35          3HB       TYR  35  -6.682   1.400  -3.993
  414    HD1  TYR  35           HD1      TYR  35  -3.818   0.357  -6.176
  415    HD2  TYR  35           HD2      TYR  35  -7.438  -0.826  -4.265
  416    HE1  TYR  35           HE1      TYR  35  -3.770  -1.754  -7.460
  417    HE2  TYR  35           HE2      TYR  35  -7.174  -3.115  -5.222
  418    HH   TYR  35           HH       TYR  35  -6.222  -4.214  -7.143
  419    QB   TYR  35           QB       TYR  35  -5.834   1.329  -3.782
  420    QR   TYR  35           QR       TYR  35  -5.550  -1.334  -5.780
  421    H    SER  36           HN       SER  36  -5.183   1.398  -7.569
  422    HA   SER  36           HA       SER  36  -7.487   2.805  -8.727
  423   1HB   SER  36          2HB       SER  36  -6.960   1.530 -10.687
  424   2HB   SER  36          3HB       SER  36  -5.494   2.313 -10.073
  425    HG   SER  36           HG       SER  36  -4.665   0.410  -9.571
  426    QB   SER  36           QB       SER  36  -6.227   1.922 -10.380
  427    H    GLY  37           HN       GLY  37  -6.581  -0.575  -8.366
  428   1HA   GLY  37          1HA       GLY  37  -8.648  -1.827  -6.963
  429   2HA   GLY  37          2HA       GLY  37  -9.334  -1.468  -8.555
  430    QA   GLY  37           QA       GLY  37  -8.991  -1.647  -7.759
  431    H    CYS  38           HN       CYS  38  -6.999  -1.650 -10.122
  432    HA   CYS  38           HA       CYS  38  -7.088  -4.603 -10.429
  433   1HB   CYS  38          2HB       CYS  38  -6.148  -2.500 -12.376
  434   2HB   CYS  38          3HB       CYS  38  -6.562  -4.170 -12.741
  435    QB   CYS  38           QB       CYS  38  -6.355  -3.335 -12.558
  436    H    GLY  39           HN       GLY  39  -5.197  -5.772 -10.678
  437   1HA   GLY  39          1HA       GLY  39  -2.983  -6.337 -10.573
  438   2HA   GLY  39          2HA       GLY  39  -2.787  -4.860 -11.535
  439    QA   GLY  39           QA       GLY  39  -2.885  -5.598 -11.054
  440    H    GLY  40           HN       GLY  40  -3.815  -4.693  -8.121
  441   1HA   GLY  40          1HA       GLY  40  -1.545  -3.146  -7.351
  442   2HA   GLY  40          2HA       GLY  40  -2.784  -3.795  -6.298
  443    QA   GLY  40           QA       GLY  40  -2.164  -3.470  -6.824
  444    H    ASN  41           HN       ASN  41  -1.602  -4.655  -4.648
  445    HA   ASN  41           HA       ASN  41  -0.200  -7.141  -5.002
  446   1HB   ASN  41          2HB       ASN  41   1.831  -6.288  -3.862
  447   2HB   ASN  41          3HB       ASN  41   1.619  -5.568  -5.454
  448   1HD2  ASN  41          2HD2      ASN  41   2.452  -2.558  -3.758
  449   2HD2  ASN  41          1HD2      ASN  41   2.908  -3.839  -4.865
  450    QB   ASN  41           QB       ASN  41   1.725  -5.928  -4.658
  451    QD2  ASN  41           QD2      ASN  41   2.680  -3.198  -4.311
  452    H    ALA  42           HN       ALA  42   0.772  -7.553  -2.597
  453    HA   ALA  42           HA       ALA  42  -1.499  -7.536  -0.774
  454   1HB   ALA  42          2HB       ALA  42   1.390  -8.447  -0.464
  455   2HB   ALA  42          3HB       ALA  42   0.122  -8.736   0.729
  456   3HB   ALA  42          1HB       ALA  42   0.018  -9.472  -0.884
  457    QB   ALA  42           QB       ALA  42   0.510  -8.885  -0.206
  458    H    ASN  43           HN       ASN  43   1.070  -5.278  -1.336
  459    HA   ASN  43           HA       ASN  43   1.269  -4.366   1.436
  460   1HB   ASN  43          2HB       ASN  43   3.139  -4.305  -0.326
  461   2HB   ASN  43          3HB       ASN  43   2.277  -2.950  -1.070
  462   1HD2  ASN  43          2HD2      ASN  43   4.760  -1.307   1.007
  463   2HD2  ASN  43          1HD2      ASN  43   4.667  -2.185  -0.479
  464    QB   ASN  43           QB       ASN  43   2.708  -3.627  -0.698
  465    QD2  ASN  43           QD2      ASN  43   4.714  -1.746   0.264
  466    NH1  ARG  44           NH2      ARG  44  -2.328  -0.263  -4.343
  467    NH2  ARG  44           NH1      ARG  44  -1.103  -2.169  -4.551
  468    H    ARG  44           HN       ARG  44  -1.267  -4.229   1.394
  469    HA   ARG  44           HA       ARG  44  -2.016  -1.429   0.828
  470   1HB   ARG  44          2HB       ARG  44  -2.219  -3.054  -1.219
  471   2HB   ARG  44          3HB       ARG  44  -3.726  -3.562  -0.456
  472   1HG   ARG  44          2HG       ARG  44  -4.568  -1.245  -0.429
  473   2HG   ARG  44          3HG       ARG  44  -3.002  -0.632  -0.986
  474   1HD   ARG  44          2HD       ARG  44  -5.007  -2.250  -2.601
  475   2HD   ARG  44          3HD       ARG  44  -4.434  -0.645  -2.847
  476    HE   ARG  44           HE       ARG  44  -2.918  -3.211  -3.188
  477   1HH1  ARG  44          2HH2      ARG  44  -3.113   0.262  -3.993
  478   2HH1  ARG  44          1HH2      ARG  44  -1.724   0.140  -5.056
  479   1HH2  ARG  44          2HH1      ARG  44  -0.664  -2.894  -3.989
  480   2HH2  ARG  44          1HH1      ARG  44  -0.578  -1.664  -5.262
  481    QB   ARG  44           QB       ARG  44  -2.972  -3.308  -0.837
  482    QG   ARG  44           QG       ARG  44  -3.785  -0.938  -0.707
  483    QD   ARG  44           QD       ARG  44  -4.720  -1.447  -2.724
  484    QH1  ARG  44           QH2      ARG  44  -2.418   0.201  -4.524
  485    QH2  ARG  44           QH1      ARG  44  -0.621  -2.279  -4.625
  486    H    PHE  45           HN       PHE  45  -3.294  -0.728   2.354
  487    HA   PHE  45           HA       PHE  45  -4.968  -2.577   4.020
  488   1HB   PHE  45          2HB       PHE  45  -3.022  -0.422   4.908
  489   2HB   PHE  45          3HB       PHE  45  -4.001  -1.441   5.947
  490    HD1  PHE  45           HD2      PHE  45  -3.451  -3.897   6.178
  491    HD2  PHE  45           HD1      PHE  45  -1.026  -1.310   3.722
  492    HE1  PHE  45           HE2      PHE  45  -1.580  -5.506   6.322
  493    HE2  PHE  45           HE1      PHE  45   0.828  -2.943   3.831
  494    HZ   PHE  45           HZ       PHE  45   0.576  -5.013   5.179
  495    QB   PHE  45           QB       PHE  45  -3.511  -0.931   5.428
  496    QR   PHE  45           QR       PHE  45  -1.307  -3.414   5.014
  497    H    LYS  46           HN       LYS  46  -6.862  -1.645   4.772
  498    HA   LYS  46           HA       LYS  46  -7.700   0.886   3.581
  499   1HB   LYS  46          2HB       LYS  46  -8.961  -0.973   5.608
  500   2HB   LYS  46          3HB       LYS  46  -9.737   0.524   5.094
  501   1HG   LYS  46          2HG       LYS  46  -8.882  -1.473   2.980
  502   2HG   LYS  46          3HG       LYS  46 -10.284  -1.811   3.986
  503   1HD   LYS  46          2HD       LYS  46 -11.043  -0.860   1.975
  504   2HD   LYS  46          3HD       LYS  46 -11.411   0.258   3.274
  505   1HE   LYS  46          2HE       LYS  46  -8.888   0.595   1.583
  506   2HE   LYS  46          3HE       LYS  46 -10.447   1.066   0.925
  507   1HZ   LYS  46          3HZ       LYS  46  -9.391   2.175   3.445
  508   2HZ   LYS  46          1HZ       LYS  46  -9.289   2.891   1.962
  509   3HZ   LYS  46          2HZ       LYS  46 -10.753   2.633   2.637
  510    QB   LYS  46           QB       LYS  46  -9.349  -0.224   5.351
  511    QG   LYS  46           QG       LYS  46  -9.583  -1.642   3.483
  512    QD   LYS  46           QD       LYS  46 -11.227  -0.301   2.625
  513    QE   LYS  46           QE       LYS  46  -9.667   0.831   1.254
  514    QZ   LYS  46           QZ       LYS  46  -9.811   2.567   2.682
  515    H    THR  47           HN       THR  47  -5.956  -0.022   6.471
  516    HA   THR  47           HA       THR  47  -6.365   2.723   7.588
  517    HB   THR  47           HB       THR  47  -6.234   1.766   9.791
  518    HG1  THR  47          1HG       THR  47  -6.294  -0.635   9.865
  519   1HG2  THR  47          2HG2      THR  47  -8.490   1.833   8.672
  520   2HG2  THR  47          3HG2      THR  47  -8.274   0.136   8.198
  521   3HG2  THR  47          1HG2      THR  47  -8.350   0.577   9.911
  522    QG2  THR  47           QG2      THR  47  -8.371   0.849   8.927
  523    H    ILE  48           HN       ILE  48  -4.581   3.695   8.509
  524    HA   ILE  48           HA       ILE  48  -1.918   2.851   7.764
  525    HB   ILE  48           HB       ILE  48  -2.738   5.244   8.527
  526   1HG1  ILE  48          2HG1      ILE  48  -0.562   5.650   9.902
  527   2HG1  ILE  48          3HG1      ILE  48  -0.167   3.964   9.541
  528   1HG2  ILE  48          1HG2      ILE  48  -3.802   4.390  10.658
  529   2HG2  ILE  48          2HG2      ILE  48  -2.145   4.137  11.277
  530   3HG2  ILE  48          3HG2      ILE  48  -2.695   5.758  10.856
  531   1HD1  ILE  48          1HD1      ILE  48  -0.382   4.521   7.105
  532   2HD1  ILE  48          2HD1      ILE  48  -0.741   6.209   7.551
  533   3HD1  ILE  48          3HD1      ILE  48   0.843   5.518   7.933
  534    QG1  ILE  48           QG1      ILE  48  -0.364   4.807   9.722
  535    QG2  ILE  48           QG2      ILE  48  -2.881   4.762  10.931
  536    QD1  ILE  48           QD1      ILE  48  -0.093   5.416   7.530
  537    H    GLU  49           HN       GLU  49  -3.929   2.327  10.678
  538    HA   GLU  49           HA       GLU  49  -1.776   1.227  12.075
  539   1HB   GLU  49          2HB       GLU  49  -4.632   1.586  12.581
  540   2HB   GLU  49          3HB       GLU  49  -4.103   0.002  13.153
  541   1HG   GLU  49          2HG       GLU  49  -3.850   1.716  14.898
  542   2HG   GLU  49          3HG       GLU  49  -2.286   1.031  14.444
  543    QB   GLU  49           QB       GLU  49  -4.367   0.794  12.867
  544    QG   GLU  49           QG       GLU  49  -3.068   1.374  14.671
  545    H    GLU  50           HN       GLU  50  -4.022  -0.486   9.830
  546    HA   GLU  50           HA       GLU  50  -2.951  -3.031  10.699
  547   1HB   GLU  50          2HB       GLU  50  -5.131  -2.722   9.465
  548   2HB   GLU  50          3HB       GLU  50  -4.179  -2.476   7.992
  549   1HG   GLU  50          2HG       GLU  50  -4.872  -4.817   8.147
  550   2HG   GLU  50          3HG       GLU  50  -3.126  -4.778   8.444
  551    QB   GLU  50           QB       GLU  50  -4.655  -2.599   8.729
  552    QG   GLU  50           QG       GLU  50  -3.999  -4.797   8.296
  553    H    CYS  51           HN       CYS  51  -2.022  -0.697   8.123
  554    HA   CYS  51           HA       CYS  51   0.119  -2.282   7.066
  555   1HB   CYS  51          2HB       CYS  51  -0.564  -0.265   5.864
  556   2HB   CYS  51          3HB       CYS  51  -0.158   0.755   7.238
  557    QB   CYS  51           QB       CYS  51  -0.361   0.245   6.551
  558    NH1  ARG  52           NH2      ARG  52   1.314   5.252  14.070
  559    NH2  ARG  52           NH1      ARG  52   2.234   6.020  12.078
  560    H    ARG  52           HN       ARG  52   0.127   0.255   9.598
  561    HA   ARG  52           HA       ARG  52   2.795   0.056  10.303
  562   1HB   ARG  52          2HB       ARG  52   1.116   1.753  11.030
  563   2HB   ARG  52          3HB       ARG  52   0.447   0.576  12.174
  564   1HG   ARG  52          2HG       ARG  52   2.499   0.491  13.434
  565   2HG   ARG  52          3HG       ARG  52   3.373   1.445  12.214
  566   1HD   ARG  52          2HD       ARG  52   0.945   2.468  13.733
  567   2HD   ARG  52          3HD       ARG  52   2.622   2.725  14.269
  568    HE   ARG  52           HE       ARG  52   2.452   3.557  11.573
  569   1HH1  ARG  52          2HH2      ARG  52   0.868   4.479  14.552
  570   2HH1  ARG  52          1HH2      ARG  52   1.176   6.183  14.427
  571   1HH2  ARG  52          2HH1      ARG  52   2.667   5.839  11.184
  572   2HH2  ARG  52          1HH1      ARG  52   2.086   6.980  12.349
  573    QB   ARG  52           QB       ARG  52   0.782   1.165  11.602
  574    QG   ARG  52           QG       ARG  52   2.936   0.968  12.824
  575    QD   ARG  52           QD       ARG  52   1.784   2.597  14.001
  576    QH1  ARG  52           QH2      ARG  52   1.022   5.331  14.490
  577    QH2  ARG  52           QH1      ARG  52   2.377   6.410  11.767
  578    NH1  ARG  53           NH2      ARG  53  -0.657  -8.949  13.669
  579    NH2  ARG  53           NH1      ARG  53   1.638  -8.615  13.480
  580    H    ARG  53           HN       ARG  53   0.069  -1.800  11.610
  581    HA   ARG  53           HA       ARG  53   1.511  -3.243  13.600
  582   1HB   ARG  53          2HB       ARG  53  -0.921  -2.715  13.476
  583   2HB   ARG  53          3HB       ARG  53  -1.134  -3.940  12.226
  584   1HG   ARG  53          2HG       ARG  53  -0.047  -4.572  15.025
  585   2HG   ARG  53          3HG       ARG  53  -1.760  -4.314  14.713
  586   1HD   ARG  53          2HD       ARG  53  -1.624  -6.579  14.636
  587   2HD   ARG  53          3HD       ARG  53  -1.644  -6.134  12.914
  588    HE   ARG  53           HE       ARG  53   1.045  -6.224  13.535
  589   1HH1  ARG  53          2HH2      ARG  53  -1.582  -8.544  13.696
  590   2HH1  ARG  53          1HH2      ARG  53  -0.563  -9.952  13.637
  591   1HH2  ARG  53          2HH1      ARG  53   2.413  -7.966  13.402
  592   2HH2  ARG  53          1HH1      ARG  53   1.824  -9.605  13.456
  593    QB   ARG  53           QB       ARG  53  -1.027  -3.327  12.851
  594    QG   ARG  53           QG       ARG  53  -0.903  -4.443  14.869
  595    QD   ARG  53           QD       ARG  53  -1.634  -6.356  13.775
  596    QH1  ARG  53           QH2      ARG  53  -1.072  -9.248  13.667
  597    QH2  ARG  53           QH1      ARG  53   2.119  -8.785  13.429
  598    H    THR  54           HN       THR  54   0.803  -3.883  10.145
  599    HA   THR  54           HA       THR  54   1.830  -6.585  10.207
  600    HB   THR  54           HB       THR  54   1.516  -4.620   7.890
  601    HG1  THR  54          1HG       THR  54  -0.431  -5.117   8.916
  602   1HG2  THR  54          2HG2      THR  54   1.881  -7.657   7.919
  603   2HG2  THR  54          3HG2      THR  54   1.509  -6.662   6.499
  604   3HG2  THR  54          1HG2      THR  54   3.071  -6.479   7.307
  605    QG2  THR  54           QG2      THR  54   2.154  -6.932   7.242
  606    H    CYS  55           HN       CYS  55   3.221  -3.429   9.143
  607    HA   CYS  55           HA       CYS  55   5.735  -4.871   8.576
  608   1HB   CYS  55          2HB       CYS  55   4.537  -3.434   6.919
  609   2HB   CYS  55          3HB       CYS  55   5.226  -2.043   7.769
  610    QB   CYS  55           QB       CYS  55   4.882  -2.738   7.344
  611    H    VAL  56           HN       VAL  56   4.773  -2.050  10.499
  612    HA   VAL  56           HA       VAL  56   7.458  -1.883  11.738
  613    HB   VAL  56           HB       VAL  56   4.928  -0.287  12.324
  614   1HG1  VAL  56          1HG1      VAL  56   7.835   0.170  13.065
  615   2HG1  VAL  56          2HG1      VAL  56   6.604   1.445  13.118
  616   3HG1  VAL  56          3HG1      VAL  56   6.421   0.041  14.150
  617   1HG2  VAL  56          2HG2      VAL  56   7.191   0.270  10.368
  618   2HG2  VAL  56          3HG2      VAL  56   5.451   0.162  10.008
  619   3HG2  VAL  56          1HG2      VAL  56   6.074   1.526  10.933
  620    QG1  VAL  56           QG1      VAL  56   6.953   0.552  13.445
  621    QG2  VAL  56           QG2      VAL  56   6.239   0.653  10.437
  622    QQG  VAL  56           QQG      VAL  56   6.596   0.603  11.941
  623    H    GLY  57           HN       GLY  57   7.130  -1.818  14.329
  624   1HA   GLY  57          1HA       GLY  57   6.432  -2.895  16.265
  625   2HA   GLY  57          2HA       GLY  57   5.087  -3.628  15.377
  626    QA   GLY  57           QA       GLY  57   5.760  -3.261  15.821
   
  Start of MODEL           2
 Raw file had  626 H/Q atoms
  Start of MODEL    2
    1    H    ALA   1           HN       ALA   1   8.682  -8.057  10.230
    2    HA   ALA   1           HA       ALA   1   7.614  -6.336   8.950
    3   1HB   ALA   1          3HB       ALA   1  10.242  -6.382   7.386
    4   2HB   ALA   1          1HB       ALA   1   8.784  -5.535   6.855
    5   3HB   ALA   1          2HB       ALA   1   9.597  -5.035   8.354
    6    QB   ALA   1           QB       ALA   1   9.541  -5.651   7.532
    7    H    ALA   2           HN       ALA   2   6.129  -7.077   7.338
    8    HA   ALA   2           HA       ALA   2   6.273  -9.833   6.590
    9   1HB   ALA   2          2HB       ALA   2   4.163  -8.589   6.903
   10   2HB   ALA   2          3HB       ALA   2   4.540  -7.589   5.477
   11   3HB   ALA   2          1HB       ALA   2   4.255  -9.331   5.292
   12    QB   ALA   2           QB       ALA   2   4.320  -8.503   5.891
   13    H    LYS   3           HN       LYS   3   6.928 -10.795   4.688
   14    HA   LYS   3           HA       LYS   3   8.969  -9.825   3.180
   15   1HB   LYS   3          2HB       LYS   3   7.273 -12.120   3.189
   16   2HB   LYS   3          3HB       LYS   3   7.230 -11.572   1.529
   17   1HG   LYS   3          2HG       LYS   3   9.863 -11.948   3.020
   18   2HG   LYS   3          3HG       LYS   3   8.976 -13.305   2.321
   19   1HD   LYS   3          2HD       LYS   3   9.003 -12.257   0.098
   20   2HD   LYS   3          3HD       LYS   3   9.934 -10.882   0.737
   21   1HE   LYS   3          2HE       LYS   3  11.820 -12.332   1.291
   22   2HE   LYS   3          3HE       LYS   3  10.872 -13.793   0.968
   23   1HZ   LYS   3          2HZ       LYS   3  11.665 -11.836  -1.080
   24   2HZ   LYS   3          3HZ       LYS   3  12.361 -13.302  -0.818
   25   3HZ   LYS   3          1HZ       LYS   3  10.807 -13.219  -1.337
   26    QB   LYS   3           QB       LYS   3   7.251 -11.846   2.359
   27    QG   LYS   3           QG       LYS   3   9.420 -12.627   2.671
   28    QD   LYS   3           QD       LYS   3   9.469 -11.569   0.418
   29    QE   LYS   3           QE       LYS   3  11.346 -13.063   1.129
   30    QZ   LYS   3           QZ       LYS   3  11.611 -12.786  -1.078
   31    OH   TYR   4           OH       TYR   4   0.742  -8.730   4.997
   32    H    TYR   4           HN       TYR   4   5.554  -9.711   2.127
   33    HA   TYR   4           HA       TYR   4   6.072  -8.369  -0.325
   34   1HB   TYR   4          2HB       TYR   4   3.643  -8.141  -0.356
   35   2HB   TYR   4          3HB       TYR   4   4.194  -9.770   0.047
   36    HD1  TYR   4           HD2      TYR   4   2.764  -6.635   1.517
   37    HD2  TYR   4           HD1      TYR   4   3.438 -10.870   2.022
   38    HE1  TYR   4           HE2      TYR   4   1.344  -6.631   3.516
   39    HE2  TYR   4           HE1      TYR   4   1.968 -10.864   4.007
   40    HH   TYR   4           HH       TYR   4   0.606  -9.596   5.387
   41    QB   TYR   4           QB       TYR   4   3.919  -8.956  -0.154
   42    QR   TYR   4           QR       TYR   4   2.379  -8.750   2.766
   43    H    CYS   5           HN       CYS   5   6.066  -7.137   2.854
   44    HA   CYS   5           HA       CYS   5   4.938  -4.539   2.570
   45   1HB   CYS   5          2HB       CYS   5   5.765  -5.495   4.707
   46   2HB   CYS   5          3HB       CYS   5   7.436  -5.323   4.127
   47    QB   CYS   5           QB       CYS   5   6.600  -5.409   4.417
   48    H    LYS   6           HN       LYS   6   7.928  -5.914   1.402
   49    HA   LYS   6           HA       LYS   6   9.335  -3.550   0.749
   50   1HB   LYS   6          2HB       LYS   6  10.250  -5.780   1.197
   51   2HB   LYS   6          3HB       LYS   6   9.557  -6.390  -0.314
   52   1HG   LYS   6          2HG       LYS   6  11.004  -5.146  -1.630
   53   2HG   LYS   6          3HG       LYS   6  11.330  -3.956  -0.347
   54   1HD   LYS   6          2HD       LYS   6  12.556  -5.585   0.980
   55   2HD   LYS   6          3HD       LYS   6  12.255  -6.863  -0.199
   56   1HE   LYS   6          2HE       LYS   6  13.837  -4.281  -0.717
   57   2HE   LYS   6          3HE       LYS   6  14.568  -5.835  -0.301
   58   1HZ   LYS   6          3HZ       LYS   6  13.661  -6.754  -2.320
   59   2HZ   LYS   6          1HZ       LYS   6  12.976  -5.311  -2.723
   60   3HZ   LYS   6          2HZ       LYS   6  14.611  -5.457  -2.651
   61    QB   LYS   6           QB       LYS   6   9.903  -6.085   0.441
   62    QG   LYS   6           QG       LYS   6  11.167  -4.551  -0.988
   63    QD   LYS   6           QD       LYS   6  12.406  -6.224   0.390
   64    QE   LYS   6           QE       LYS   6  14.202  -5.058  -0.509
   65    QZ   LYS   6           QZ       LYS   6  13.749  -5.840  -2.565
   66    H    LEU   7           HN       LEU   7   6.553  -4.935  -0.794
   67    HA   LEU   7           HA       LEU   7   7.295  -4.270  -3.470
   68   1HB   LEU   7          2HB       LEU   7   4.606  -4.819  -2.192
   69   2HB   LEU   7          3HB       LEU   7   4.878  -4.635  -3.927
   70    HG   LEU   7           HG       LEU   7   6.500  -6.679  -2.413
   71   1HD1  LEU   7          2HD1      LEU   7   3.839  -6.943  -2.203
   72   2HD1  LEU   7          3HD1      LEU   7   4.042  -7.596  -3.845
   73   3HD1  LEU   7          1HD1      LEU   7   4.919  -8.324  -2.511
   74   1HD2  LEU   7          2HD2      LEU   7   5.477  -6.455  -5.287
   75   2HD2  LEU   7          3HD2      LEU   7   7.140  -6.124  -4.757
   76   3HD2  LEU   7          1HD2      LEU   7   6.479  -7.770  -4.645
   77    QB   LEU   7           QB       LEU   7   4.742  -4.727  -3.059
   78    QD1  LEU   7           QD1      LEU   7   4.267  -7.621  -2.853
   79    QD2  LEU   7           QD2      LEU   7   6.365  -6.783  -4.896
   80    QQD  LEU   7           QQD      LEU   7   5.316  -7.202  -3.875
   81    HA   PRO   8           HA       PRO   8   6.832   0.057  -3.101
   82   1HB   PRO   8          2HB       PRO   8   7.038   0.871  -5.710
   83   2HB   PRO   8          3HB       PRO   8   8.321  -0.056  -4.891
   84   1HG   PRO   8          2HG       PRO   8   6.091  -1.177  -6.621
   85   2HG   PRO   8          3HG       PRO   8   7.855  -1.385  -6.855
   86   1HD   PRO   8          2HD       PRO   8   6.417  -3.244  -5.502
   87   2HD   PRO   8          3HD       PRO   8   8.036  -2.743  -4.922
   88    QB   PRO   8           QB       PRO   8   7.679   0.408  -5.301
   89    QG   PRO   8           QG       PRO   8   6.973  -1.281  -6.738
   90    QD   PRO   8           QD       PRO   8   7.227  -2.994  -5.212
   91    H    LEU   9           HN       LEU   9   5.735   1.997  -4.546
   92    HA   LEU   9           HA       LEU   9   3.040   2.040  -3.700
   93   1HB   LEU   9          2HB       LEU   9   4.419   4.056  -3.864
   94   2HB   LEU   9          3HB       LEU   9   4.518   3.894  -5.609
   95    HG   LEU   9           HG       LEU   9   2.237   4.399  -5.946
   96   1HD1  LEU   9          1HD1      LEU   9   1.746   4.001  -2.972
   97   2HD1  LEU   9          2HD1      LEU   9   0.624   4.806  -4.057
   98   3HD1  LEU   9          3HD1      LEU   9   1.022   3.107  -4.304
   99   1HD2  LEU   9          3HD2      LEU   9   3.652   6.341  -5.367
  100   2HD2  LEU   9          1HD2      LEU   9   1.953   6.588  -4.930
  101   3HD2  LEU   9          2HD2      LEU   9   3.139   6.199  -3.671
  102    QB   LEU   9           QB       LEU   9   4.468   3.975  -4.736
  103    QD1  LEU   9           QD1      LEU   9   1.131   3.971  -3.778
  104    QD2  LEU   9           QD2      LEU   9   2.915   6.376  -4.656
  105    QQD  LEU   9           QQD      LEU   9   2.023   5.174  -4.217
  106    NH1  ARG  10           NH2      ARG  10   2.774  -2.695 -11.395
  107    NH2  ARG  10           NH1      ARG  10   1.108  -4.282 -11.757
  108    H    ARG  10           HN       ARG  10   2.214   0.173  -4.638
  109    HA   ARG  10           HA       ARG  10   1.890   0.124  -7.519
  110   1HB   ARG  10          2HB       ARG  10   2.547  -1.774  -6.072
  111   2HB   ARG  10          3HB       ARG  10   0.920  -1.763  -5.357
  112   1HG   ARG  10          2HG       ARG  10   1.066  -3.503  -7.066
  113   2HG   ARG  10          3HG       ARG  10  -0.029  -2.224  -7.607
  114   1HD   ARG  10          2HD       ARG  10   1.717  -1.320  -9.102
  115   2HD   ARG  10          3HD       ARG  10   2.863  -2.547  -8.499
  116    HE   ARG  10           HE       ARG  10   0.453  -3.785  -9.445
  117   1HH1  ARG  10          2HH2      ARG  10   3.219  -2.040 -10.770
  118   2HH1  ARG  10          1HH2      ARG  10   3.127  -2.782 -12.337
  119   1HH2  ARG  10          2HH1      ARG  10   0.309  -4.787 -11.383
  120   2HH2  ARG  10          1HH1      ARG  10   1.411  -4.460 -12.703
  121    QB   ARG  10           QB       ARG  10   1.734  -1.769  -5.714
  122    QG   ARG  10           QG       ARG  10   0.518  -2.863  -7.337
  123    QD   ARG  10           QD       ARG  10   2.290  -1.933  -8.800
  124    QH1  ARG  10           QH2      ARG  10   3.173  -2.411 -11.554
  125    QH2  ARG  10           QH1      ARG  10   0.860  -4.624 -12.043
  126    H    ILE  11           HN       ILE  11   0.662   2.128  -7.534
  127    HA   ILE  11           HA       ILE  11  -2.085   2.245  -6.774
  128    HB   ILE  11           HB       ILE  11  -0.781   3.469  -9.244
  129   1HG1  ILE  11          2HG1      ILE  11  -1.001   4.388  -6.351
  130   2HG1  ILE  11          3HG1      ILE  11   0.463   4.142  -7.310
  131   1HG2  ILE  11          2HG2      ILE  11  -3.351   4.105  -7.731
  132   2HG2  ILE  11          3HG2      ILE  11  -2.678   5.102  -9.036
  133   3HG2  ILE  11          1HG2      ILE  11  -3.232   3.469  -9.375
  134   1HD1  ILE  11          3HD1      ILE  11  -0.271   6.043  -8.790
  135   2HD1  ILE  11          1HD1      ILE  11  -1.547   6.383  -7.585
  136   3HD1  ILE  11          2HD1      ILE  11   0.155   6.468  -7.118
  137    QG1  ILE  11           QG1      ILE  11  -0.269   4.265  -6.831
  138    QG2  ILE  11           QG2      ILE  11  -3.087   4.225  -8.714
  139    QD1  ILE  11           QD1      ILE  11  -0.554   6.298  -7.831
  140    H    GLY  12           HN       GLY  12  -0.397   0.745  -9.493
  141   1HA   GLY  12          1HA       GLY  12  -1.034  -1.097 -10.730
  142   2HA   GLY  12          2HA       GLY  12  -2.680  -1.028 -10.085
  143    QA   GLY  12           QA       GLY  12  -1.857  -1.063 -10.407
  144    HA   PRO  13           HA       PRO  13  -1.956   1.005 -14.301
  145   1HB   PRO  13          2HB       PRO  13  -3.254  -0.696 -16.018
  146   2HB   PRO  13          3HB       PRO  13  -1.585  -0.953 -15.438
  147   1HG   PRO  13          2HG       PRO  13  -4.120  -2.172 -14.319
  148   2HG   PRO  13          3HG       PRO  13  -2.605  -3.012 -14.767
  149   1HD   PRO  13          2HD       PRO  13  -3.108  -2.291 -12.198
  150   2HD   PRO  13          3HD       PRO  13  -1.459  -2.126 -12.867
  151    QB   PRO  13           QB       PRO  13  -2.420  -0.824 -15.728
  152    QG   PRO  13           QG       PRO  13  -3.363  -2.592 -14.543
  153    QD   PRO  13           QD       PRO  13  -2.284  -2.208 -12.532
  154    H    CYS  14           HN       CYS  14  -5.016  -0.002 -12.671
  155    HA   CYS  14           HA       CYS  14  -6.620   1.050 -14.801
  156   1HB   CYS  14          2HB       CYS  14  -7.010  -0.219 -12.160
  157   2HB   CYS  14          3HB       CYS  14  -8.312   0.772 -12.699
  158    QB   CYS  14           QB       CYS  14  -7.661   0.276 -12.430
  159    H    LYS  15           HN       LYS  15  -8.304   2.646 -14.423
  160    HA   LYS  15           HA       LYS  15  -6.933   5.106 -13.482
  161   1HB   LYS  15          2HB       LYS  15  -7.837   4.560 -15.931
  162   2HB   LYS  15          3HB       LYS  15  -9.367   5.088 -15.239
  163   1HG   LYS  15          2HG       LYS  15  -8.616   7.081 -16.044
  164   2HG   LYS  15          3HG       LYS  15  -7.887   7.192 -14.449
  165   1HD   LYS  15          2HD       LYS  15  -6.559   6.305 -17.063
  166   2HD   LYS  15          3HD       LYS  15  -6.345   7.859 -16.246
  167   1HE   LYS  15          2HE       LYS  15  -5.314   6.646 -14.286
  168   2HE   LYS  15          3HE       LYS  15  -5.429   5.127 -15.203
  169   1HZ   LYS  15          2HZ       LYS  15  -3.864   7.486 -16.010
  170   2HZ   LYS  15          3HZ       LYS  15  -3.275   6.089 -15.369
  171   3HZ   LYS  15          1HZ       LYS  15  -3.983   6.071 -16.850
  172    QB   LYS  15           QB       LYS  15  -8.602   4.824 -15.585
  173    QG   LYS  15           QG       LYS  15  -8.251   7.137 -15.246
  174    QD   LYS  15           QD       LYS  15  -6.452   7.082 -16.654
  175    QE   LYS  15           QE       LYS  15  -5.372   5.887 -14.744
  176    QZ   LYS  15           QZ       LYS  15  -3.707   6.549 -16.076
  177    NH1  ARG  16           NH2      ARG  16 -13.186  -1.407  -9.430
  178    NH2  ARG  16           NH1      ARG  16 -14.288  -0.004  -7.947
  179    H    ARG  16           HN       ARG  16  -8.727   3.132 -11.914
  180    HA   ARG  16           HA       ARG  16 -10.820   4.830 -10.802
  181   1HB   ARG  16          2HB       ARG  16  -9.559   2.183 -10.049
  182   2HB   ARG  16          3HB       ARG  16 -10.867   2.910  -9.096
  183   1HG   ARG  16          2HG       ARG  16 -12.325   2.874 -11.129
  184   2HG   ARG  16          3HG       ARG  16 -10.977   2.182 -12.034
  185   1HD   ARG  16          2HD       ARG  16 -12.373   0.352 -11.450
  186   2HD   ARG  16          3HD       ARG  16 -10.954   0.244 -10.378
  187    HE   ARG  16           HE       ARG  16 -12.879   1.778  -9.026
  188   1HH1  ARG  16          2HH2      ARG  16 -12.508  -1.529 -10.166
  189   2HH1  ARG  16          1HH2      ARG  16 -13.675  -2.219  -9.082
  190   1HH2  ARG  16          2HH1      ARG  16 -14.465   0.920  -7.579
  191   2HH2  ARG  16          1HH1      ARG  16 -14.809  -0.778  -7.562
  192    QB   ARG  16           QB       ARG  16 -10.213   2.547  -9.572
  193    QG   ARG  16           QG       ARG  16 -11.651   2.528 -11.581
  194    QD   ARG  16           QD       ARG  16 -11.663   0.298 -10.914
  195    QH1  ARG  16           QH2      ARG  16 -13.092  -1.874  -9.624
  196    QH2  ARG  16           QH1      ARG  16 -14.637   0.071  -7.570
  197    H    LYS  17           HN       LYS  17 -10.740   4.865  -8.330
  198    HA   LYS  17           HA       LYS  17  -8.193   5.703  -7.117
  199   1HB   LYS  17          2HB       LYS  17 -10.647   7.490  -7.499
  200   2HB   LYS  17          3HB       LYS  17  -9.410   7.811  -6.286
  201   1HG   LYS  17          2HG       LYS  17  -8.878   7.682  -9.281
  202   2HG   LYS  17          3HG       LYS  17  -9.194   9.161  -8.362
  203   1HD   LYS  17          2HD       LYS  17  -7.271   8.737  -6.892
  204   2HD   LYS  17          3HD       LYS  17  -6.858   7.274  -7.797
  205   1HE   LYS  17          2HE       LYS  17  -6.877  10.114  -8.906
  206   2HE   LYS  17          3HE       LYS  17  -5.452   9.203  -8.386
  207   1HZ   LYS  17          1HZ       LYS  17  -5.991   7.541 -10.057
  208   2HZ   LYS  17          2HZ       LYS  17  -7.250   8.449 -10.591
  209   3HZ   LYS  17          3HZ       LYS  17  -5.710   9.025 -10.729
  210    QB   LYS  17           QB       LYS  17 -10.029   7.650  -6.893
  211    QG   LYS  17           QG       LYS  17  -9.036   8.422  -8.822
  212    QD   LYS  17           QD       LYS  17  -7.065   8.006  -7.344
  213    QE   LYS  17           QE       LYS  17  -6.164   9.658  -8.646
  214    QZ   LYS  17           QZ       LYS  17  -6.317   8.338 -10.459
  215    H    ILE  18           HN       ILE  18  -8.196   4.494  -5.337
  216    HA   ILE  18           HA       ILE  18 -10.634   4.358  -3.654
  217    HB   ILE  18           HB       ILE  18  -8.770   2.041  -4.247
  218   1HG1  ILE  18          2HG1      ILE  18 -11.702   2.509  -4.964
  219   2HG1  ILE  18          3HG1      ILE  18 -10.338   2.480  -6.088
  220   1HG2  ILE  18          2HG2      ILE  18  -9.562   2.128  -1.865
  221   2HG2  ILE  18          3HG2      ILE  18 -11.236   2.211  -2.450
  222   3HG2  ILE  18          1HG2      ILE  18 -10.243   0.763  -2.732
  223   1HD1  ILE  18          3HD1      ILE  18  -9.881   0.103  -5.418
  224   2HD1  ILE  18          1HD1      ILE  18 -11.424   0.123  -4.524
  225   3HD1  ILE  18          2HD1      ILE  18 -11.412   0.382  -6.274
  226    QG1  ILE  18           QG1      ILE  18 -11.020   2.495  -5.526
  227    QG2  ILE  18           QG2      ILE  18 -10.347   1.701  -2.349
  228    QD1  ILE  18           QD1      ILE  18 -10.906   0.202  -5.406
  229    HA   PRO  19           HA       PRO  19  -7.145   6.223  -1.390
  230   1HB   PRO  19          2HB       PRO  19  -8.481   7.098   0.845
  231   2HB   PRO  19          3HB       PRO  19  -8.482   7.940  -0.733
  232   1HG   PRO  19          2HG       PRO  19 -10.563   6.021   0.334
  233   2HG   PRO  19          3HG       PRO  19 -10.834   7.630  -0.401
  234   1HD   PRO  19          2HD       PRO  19 -11.100   5.367  -1.826
  235   2HD   PRO  19          3HD       PRO  19 -10.317   6.789  -2.589
  236    QB   PRO  19           QB       PRO  19  -8.481   7.519   0.056
  237    QG   PRO  19           QG       PRO  19 -10.699   6.825  -0.034
  238    QD   PRO  19           QD       PRO  19 -10.708   6.078  -2.207
  239    H    SER  20           HN       SER  20  -5.698   5.042  -0.242
  240    HA   SER  20           HA       SER  20  -6.540   3.085   1.797
  241   1HB   SER  20          2HB       SER  20  -4.830   2.294  -0.603
  242   2HB   SER  20          3HB       SER  20  -5.396   1.238   0.705
  243    HG   SER  20           HG       SER  20  -7.020   2.608  -1.174
  244    QB   SER  20           QB       SER  20  -5.113   1.766   0.051
  245    H    PHE  21           HN       PHE  21  -4.375   1.979   2.507
  246    HA   PHE  21           HA       PHE  21  -2.118   3.921   2.604
  247   1HB   PHE  21          2HB       PHE  21  -3.106   2.084   4.820
  248   2HB   PHE  21          3HB       PHE  21  -1.602   2.994   4.861
  249    HD1  PHE  21          2HD       PHE  21  -5.311   3.299   4.850
  250    HD2  PHE  21          1HD       PHE  21  -1.573   5.372   5.372
  251    HE1  PHE  21          2HE       PHE  21  -6.514   5.200   5.877
  252    HE2  PHE  21          1HE       PHE  21  -2.780   7.291   6.381
  253    HZ   PHE  21           HZ       PHE  21  -5.250   7.210   6.638
  254    QB   PHE  21           QB       PHE  21  -2.354   2.539   4.841
  255    QR   PHE  21           QR       PHE  21  -4.044   5.291   5.620
  256    OH   TYR  22           OH       TYR  22   4.364   4.949  -1.623
  257    H    TYR  22           HN       TYR  22  -0.031   2.989   2.417
  258    HA   TYR  22           HA       TYR  22   0.216   0.077   2.247
  259   1HB   TYR  22          2HB       TYR  22   1.181   0.061   0.173
  260   2HB   TYR  22          3HB       TYR  22  -0.138   1.143  -0.145
  261    HD1  TYR  22           HD2      TYR  22   0.529   3.762   0.456
  262    HD2  TYR  22           HD1      TYR  22   3.203   0.623  -0.839
  263    HE1  TYR  22           HE2      TYR  22   2.107   5.450  -0.362
  264    HE2  TYR  22           HE1      TYR  22   4.758   2.328  -1.721
  265    HH   TYR  22           HH       TYR  22   3.949   5.813  -1.585
  266    QB   TYR  22           QB       TYR  22   0.522   0.602   0.014
  267    QR   TYR  22           QR       TYR  22   2.649   3.041  -0.617
  268    OH   TYR  23           OH       TYR  23   9.360   0.201   7.121
  269    H    TYR  23           HN       TYR  23   2.677  -0.356   2.155
  270    HA   TYR  23           HA       TYR  23   4.086   1.610   3.921
  271   1HB   TYR  23          2HB       TYR  23   3.881  -0.776   4.676
  272   2HB   TYR  23          3HB       TYR  23   4.871  -1.226   3.301
  273    HD1  TYR  23           HD1      TYR  23   7.245  -0.543   3.187
  274    HD2  TYR  23           HD2      TYR  23   4.849   0.253   6.661
  275    HE1  TYR  23           HE1      TYR  23   9.276  -0.513   4.619
  276    HE2  TYR  23           HE2      TYR  23   6.892   0.567   8.008
  277    HH   TYR  23           HH       TYR  23   9.320   0.971   7.701
  278    QB   TYR  23           QB       TYR  23   4.376  -1.001   3.989
  279    QR   TYR  23           QR       TYR  23   7.066  -0.059   5.619
  280    H    LYS  24           HN       LYS  24   5.337   3.051   2.835
  281    HA   LYS  24           HA       LYS  24   6.253   2.377   0.094
  282   1HB   LYS  24          2HB       LYS  24   5.398   4.616   0.720
  283   2HB   LYS  24          3HB       LYS  24   6.797   4.864   1.766
  284   1HG   LYS  24          2HG       LYS  24   8.299   4.582  -0.221
  285   2HG   LYS  24          3HG       LYS  24   6.872   4.290  -1.237
  286   1HD   LYS  24          2HD       LYS  24   6.034   6.582  -0.568
  287   2HD   LYS  24          3HD       LYS  24   7.583   6.859   0.247
  288   1HE   LYS  24          2HE       LYS  24   8.762   6.543  -1.935
  289   2HE   LYS  24          3HE       LYS  24   7.210   6.195  -2.724
  290   1HZ   LYS  24          3HZ       LYS  24   6.504   8.427  -2.188
  291   2HZ   LYS  24          1HZ       LYS  24   7.951   8.763  -1.479
  292   3HZ   LYS  24          2HZ       LYS  24   7.873   8.451  -3.090
  293    QB   LYS  24           QB       LYS  24   6.098   4.740   1.243
  294    QG   LYS  24           QG       LYS  24   7.586   4.436  -0.729
  295    QD   LYS  24           QD       LYS  24   6.808   6.721  -0.160
  296    QE   LYS  24           QE       LYS  24   7.986   6.369  -2.330
  297    QZ   LYS  24           QZ       LYS  24   7.443   8.547  -2.252
  298    CH2  TRP  25           CH2      TRP  25  12.079  -4.439   4.324
  299    H    TRP  25           HN       TRP  25   7.558   0.527   0.700
  300    HA   TRP  25           HA       TRP  25   9.552   0.438   2.601
  301   1HB   TRP  25          2HB       TRP  25   8.833  -1.433   1.205
  302   2HB   TRP  25          3HB       TRP  25   9.702  -0.768  -0.180
  303    HD1  TRP  25           HD1      TRP  25  12.377  -0.822  -0.076
  304    HE1  TRP  25           HE1      TRP  25  14.057  -2.260   1.202
  305    HE3  TRP  25           HE3      TRP  25   9.190  -2.934   3.306
  306    HZ2  TRP  25           HZ2      TRP  25  14.015  -4.136   3.416
  307    HZ3  TRP  25           HZ3      TRP  25  10.027  -4.546   4.984
  308    HH2  TRP  25           HH2      TRP  25  12.436  -5.150   5.054
  309    QB   TRP  25           QB       TRP  25   9.267  -1.100   0.513
  310    H    LYS  26           HN       LYS  26   9.769   2.029  -0.515
  311    HA   LYS  26           HA       LYS  26  12.519   2.577  -0.622
  312   1HB   LYS  26          2HB       LYS  26  10.612   3.003  -2.329
  313   2HB   LYS  26          3HB       LYS  26  10.337   4.508  -1.457
  314   1HG   LYS  26          2HG       LYS  26  11.773   5.200  -3.194
  315   2HG   LYS  26          3HG       LYS  26  12.855   4.984  -1.831
  316   1HD   LYS  26          2HD       LYS  26  14.080   3.902  -3.397
  317   2HD   LYS  26          3HD       LYS  26  13.162   2.510  -2.845
  318   1HE   LYS  26          2HE       LYS  26  12.579   4.263  -5.304
  319   2HE   LYS  26          3HE       LYS  26  13.353   2.677  -5.329
  320   1HZ   LYS  26          2HZ       LYS  26  11.320   1.721  -4.493
  321   2HZ   LYS  26          3HZ       LYS  26  10.588   3.199  -4.480
  322   3HZ   LYS  26          1HZ       LYS  26  11.058   2.524  -5.903
  323    QB   LYS  26           QB       LYS  26  10.475   3.756  -1.893
  324    QG   LYS  26           QG       LYS  26  12.314   5.092  -2.513
  325    QD   LYS  26           QD       LYS  26  13.621   3.206  -3.121
  326    QE   LYS  26           QE       LYS  26  12.966   3.470  -5.316
  327    QZ   LYS  26           QZ       LYS  26  10.989   2.481  -4.959
  328    H    ALA  27           HN       ALA  27   9.990   4.104   1.335
  329    HA   ALA  27           HA       ALA  27  11.851   6.164   2.410
  330   1HB   ALA  27          2HB       ALA  27   9.629   6.910   1.661
  331   2HB   ALA  27          3HB       ALA  27   8.852   5.753   2.768
  332   3HB   ALA  27          1HB       ALA  27   9.813   7.096   3.418
  333    QB   ALA  27           QB       ALA  27   9.431   6.586   2.615
  334    H    LYS  28           HN       LYS  28   9.870   3.398   3.291
  335    HA   LYS  28           HA       LYS  28  10.129   1.774   4.769
  336   1HB   LYS  28          2HB       LYS  28  12.122   3.405   6.351
  337   2HB   LYS  28          3HB       LYS  28  11.720   1.717   6.581
  338   1HG   LYS  28          2HG       LYS  28  12.578   1.005   4.533
  339   2HG   LYS  28          3HG       LYS  28  12.799   2.615   3.873
  340   1HD   LYS  28          2HD       LYS  28  14.296   1.815   6.393
  341   2HD   LYS  28          3HD       LYS  28  14.830   1.292   4.797
  342   1HE   LYS  28          2HE       LYS  28  16.035   3.306   5.383
  343   2HE   LYS  28          3HE       LYS  28  15.007   3.578   3.972
  344   1HZ   LYS  28          2HZ       LYS  28  14.368   4.417   6.722
  345   2HZ   LYS  28          3HZ       LYS  28  14.897   5.395   5.511
  346   3HZ   LYS  28          1HZ       LYS  28  13.428   4.685   5.394
  347    QB   LYS  28           QB       LYS  28  11.921   2.561   6.466
  348    QG   LYS  28           QG       LYS  28  12.688   1.810   4.203
  349    QD   LYS  28           QD       LYS  28  14.563   1.554   5.595
  350    QE   LYS  28           QE       LYS  28  15.521   3.442   4.678
  351    QZ   LYS  28           QZ       LYS  28  14.231   4.832   5.876
  352    H    GLN  29           HN       GLN  29   7.999   3.633   4.769
  353    HA   GLN  29           HA       GLN  29   7.004   3.131   7.464
  354   1HB   GLN  29          2HB       GLN  29   7.411   5.962   6.422
  355   2HB   GLN  29          3HB       GLN  29   6.088   5.568   7.519
  356   1HG   GLN  29          2HG       GLN  29   7.835   4.504   9.073
  357   2HG   GLN  29          3HG       GLN  29   9.045   5.380   8.123
  358   1HE2  GLN  29          2HE2      GLN  29   7.685   8.628   9.179
  359   2HE2  GLN  29          1HE2      GLN  29   8.357   7.844   7.759
  360    QB   GLN  29           QB       GLN  29   6.750   5.765   6.970
  361    QG   GLN  29           QG       GLN  29   8.440   4.942   8.598
  362    QE2  GLN  29           QE2      GLN  29   8.021   8.236   8.469
  363    H    CYS  30           HN       CYS  30   4.725   3.717   7.677
  364    HA   CYS  30           HA       CYS  30   3.159   2.815   5.370
  365   1HB   CYS  30          2HB       CYS  30   2.405   3.620   8.186
  366   2HB   CYS  30          3HB       CYS  30   1.289   2.977   6.975
  367    QB   CYS  30           QB       CYS  30   1.847   3.298   7.580
  368    H    LEU  31           HN       LEU  31   1.930   4.121   4.079
  369    HA   LEU  31           HA       LEU  31   1.598   6.992   4.753
  370   1HB   LEU  31          2HB       LEU  31   2.726   5.885   2.152
  371   2HB   LEU  31          3HB       LEU  31   2.383   7.584   2.470
  372    HG   LEU  31           HG       LEU  31   4.553   5.897   3.784
  373   1HD1  LEU  31          3HD1      LEU  31   4.803   6.607   1.361
  374   2HD1  LEU  31          1HD1      LEU  31   4.761   8.286   1.895
  375   3HD1  LEU  31          2HD1      LEU  31   6.074   7.220   2.446
  376   1HD2  LEU  31          2HD2      LEU  31   3.740   7.721   5.350
  377   2HD2  LEU  31          3HD2      LEU  31   5.386   7.974   4.770
  378   3HD2  LEU  31          1HD2      LEU  31   4.037   8.898   4.068
  379    QB   LEU  31           QB       LEU  31   2.555   6.734   2.311
  380    QD1  LEU  31           QD1      LEU  31   5.213   7.371   1.901
  381    QD2  LEU  31           QD2      LEU  31   4.388   8.198   4.729
  382    QQD  LEU  31           QQD      LEU  31   4.800   7.784   3.315
  383    HA   PRO  32           HA       PRO  32  -2.286   6.123   2.620
  384   1HB   PRO  32          2HB       PRO  32  -3.163   8.616   2.020
  385   2HB   PRO  32          3HB       PRO  32  -3.072   8.022   3.703
  386   1HG   PRO  32          2HG       PRO  32  -1.023   9.706   2.222
  387   2HG   PRO  32          3HG       PRO  32  -1.736  10.031   3.831
  388   1HD   PRO  32          2HD       PRO  32   0.674   8.800   3.535
  389   2HD   PRO  32          3HD       PRO  32  -0.452   8.309   4.834
  390    QB   PRO  32           QB       PRO  32  -3.118   8.319   2.862
  391    QG   PRO  32           QG       PRO  32  -1.380   9.868   3.027
  392    QD   PRO  32           QD       PRO  32   0.111   8.555   4.184
  393    H    PHE  33           HN       PHE  33  -3.215   6.276   0.424
  394    HA   PHE  33           HA       PHE  33  -2.051   7.829  -1.653
  395   1HB   PHE  33          2HB       PHE  33  -1.133   6.188  -3.068
  396   2HB   PHE  33          3HB       PHE  33  -0.348   5.922  -1.528
  397    HD1  PHE  33          2HD       PHE  33  -1.872   4.188   0.062
  398    HD2  PHE  33          1HD       PHE  33  -1.639   4.214  -4.246
  399    HE1  PHE  33          2HE       PHE  33  -2.470   1.786  -0.013
  400    HE2  PHE  33          1HE       PHE  33  -1.979   1.760  -4.271
  401    HZ   PHE  33           HZ       PHE  33  -2.360   0.555  -2.101
  402    QB   PHE  33           QB       PHE  33  -0.740   6.055  -2.298
  403    QR   PHE  33           QR       PHE  33  -1.990   2.987  -2.117
  404    H    ASP  34           HN       ASP  34  -3.150   6.910  -3.847
  405    HA   ASP  34           HA       ASP  34  -5.862   5.812  -3.238
  406   1HB   ASP  34          2HB       ASP  34  -4.908   7.887  -5.184
  407   2HB   ASP  34          3HB       ASP  34  -5.905   6.595  -5.860
  408    QB   ASP  34           QB       ASP  34  -5.406   7.241  -5.522
  409    OH   TYR  35           OH       TYR  35  -5.282  -3.747  -7.129
  410    H    TYR  35           HN       TYR  35  -6.017   3.731  -3.776
  411    HA   TYR  35           HA       TYR  35  -4.082   2.497  -5.667
  412   1HB   TYR  35          2HB       TYR  35  -4.661   1.280  -3.631
  413   2HB   TYR  35          3HB       TYR  35  -6.369   1.416  -4.009
  414    HD1  TYR  35           HD1      TYR  35  -3.426   0.299  -6.125
  415    HD2  TYR  35           HD2      TYR  35  -6.924  -0.860  -4.036
  416    HE1  TYR  35           HE1      TYR  35  -3.457  -1.830  -7.408
  417    HE2  TYR  35           HE2      TYR  35  -7.046  -2.991  -5.319
  418    HH   TYR  35           HH       TYR  35  -6.174  -4.095  -7.262
  419    QB   TYR  35           QB       TYR  35  -5.515   1.348  -3.820
  420    QR   TYR  35           QR       TYR  35  -5.213  -1.345  -5.722
  421    H    SER  36           HN       SER  36  -5.034   1.336  -7.576
  422    HA   SER  36           HA       SER  36  -7.314   2.822  -8.717
  423   1HB   SER  36          2HB       SER  36  -6.924   1.569 -10.689
  424   2HB   SER  36          3HB       SER  36  -5.387   2.243 -10.134
  425    HG   SER  36           HG       SER  36  -4.728   0.253  -9.497
  426    QB   SER  36           QB       SER  36  -6.155   1.906 -10.411
  427    H    GLY  37           HN       GLY  37  -6.545  -0.594  -8.408
  428   1HA   GLY  37          1HA       GLY  37  -8.597  -1.782  -6.964
  429   2HA   GLY  37          2HA       GLY  37  -9.345  -1.360  -8.511
  430    QA   GLY  37           QA       GLY  37  -8.971  -1.571  -7.737
  431    H    CYS  38           HN       CYS  38  -7.024  -1.576 -10.158
  432    HA   CYS  38           HA       CYS  38  -7.110  -4.513 -10.551
  433   1HB   CYS  38          2HB       CYS  38  -6.096  -2.322 -12.360
  434   2HB   CYS  38          3HB       CYS  38  -6.484  -3.972 -12.837
  435    QB   CYS  38           QB       CYS  38  -6.290  -3.147 -12.599
  436    H    GLY  39           HN       GLY  39  -5.172  -5.695 -10.875
  437   1HA   GLY  39          1HA       GLY  39  -2.963  -6.249 -10.883
  438   2HA   GLY  39          2HA       GLY  39  -2.739  -4.640 -11.585
  439    QA   GLY  39           QA       GLY  39  -2.851  -5.444 -11.234
  440    H    GLY  40           HN       GLY  40  -3.898  -4.841  -8.262
  441   1HA   GLY  40          1HA       GLY  40  -1.672  -3.523  -7.100
  442   2HA   GLY  40          2HA       GLY  40  -2.940  -4.352  -6.269
  443    QA   GLY  40           QA       GLY  40  -2.306  -3.938  -6.685
  444    H    ASN  41           HN       ASN  41  -0.854  -4.599  -4.950
  445    HA   ASN  41           HA       ASN  41   0.240  -7.354  -5.356
  446   1HB   ASN  41          2HB       ASN  41   2.258  -6.505  -4.175
  447   2HB   ASN  41          3HB       ASN  41   1.998  -5.734  -5.738
  448   1HD2  ASN  41          2HD2      ASN  41   2.687  -2.715  -3.966
  449   2HD2  ASN  41          1HD2      ASN  41   3.318  -3.917  -5.062
  450    QB   ASN  41           QB       ASN  41   2.128  -6.119  -4.957
  451    QD2  ASN  41           QD2      ASN  41   3.002  -3.316  -4.514
  452    H    ALA  42           HN       ALA  42   1.331  -7.378  -2.576
  453    HA   ALA  42           HA       ALA  42  -1.273  -7.517  -1.067
  454   1HB   ALA  42          3HB       ALA  42   1.514  -8.546  -0.451
  455   2HB   ALA  42          1HB       ALA  42   0.107  -8.743   0.604
  456   3HB   ALA  42          2HB       ALA  42   0.143  -9.515  -0.992
  457    QB   ALA  42           QB       ALA  42   0.588  -8.935  -0.280
  458    H    ASN  43           HN       ASN  43   0.871  -5.070  -1.629
  459    HA   ASN  43           HA       ASN  43   0.819  -4.062   1.127
  460   1HB   ASN  43          2HB       ASN  43   2.719  -3.867  -0.725
  461   2HB   ASN  43          3HB       ASN  43   1.790  -2.444  -1.236
  462   1HD2  ASN  43          2HD2      ASN  43   4.396  -1.219   1.032
  463   2HD2  ASN  43          1HD2      ASN  43   4.352  -2.045  -0.483
  464    QB   ASN  43           QB       ASN  43   2.255  -3.155  -0.981
  465    QD2  ASN  43           QD2      ASN  43   4.374  -1.632   0.275
  466    NH1  ARG  44           NH2      ARG  44  -2.052  -3.910  -2.737
  467    NH2  ARG  44           NH1      ARG  44  -3.700  -5.036  -3.890
  468    H    ARG  44           HN       ARG  44  -1.629  -4.209   1.122
  469    HA   ARG  44           HA       ARG  44  -2.471  -1.403   0.659
  470   1HB   ARG  44          2HB       ARG  44  -3.712  -3.627  -0.812
  471   2HB   ARG  44          3HB       ARG  44  -4.835  -2.922   0.298
  472   1HG   ARG  44          2HG       ARG  44  -5.390  -1.571  -1.314
  473   2HG   ARG  44          3HG       ARG  44  -4.062  -0.590  -0.715
  474   1HD   ARG  44          2HD       ARG  44  -4.094  -0.749  -3.123
  475   2HD   ARG  44          3HD       ARG  44  -2.623  -1.443  -2.557
  476    HE   ARG  44           HE       ARG  44  -4.844  -2.804  -3.886
  477   1HH1  ARG  44          2HH2      ARG  44  -1.662  -3.089  -2.271
  478   2HH1  ARG  44          1HH2      ARG  44  -1.538  -4.782  -2.685
  479   1HH2  ARG  44          2HH1      ARG  44  -4.605  -5.097  -4.329
  480   2HH2  ARG  44          1HH1      ARG  44  -3.120  -5.873  -3.802
  481    QB   ARG  44           QB       ARG  44  -4.274  -3.274  -0.257
  482    QG   ARG  44           QG       ARG  44  -4.726  -1.080  -1.014
  483    QD   ARG  44           QD       ARG  44  -3.358  -1.096  -2.840
  484    QH1  ARG  44           QH2      ARG  44  -1.600  -3.936  -2.478
  485    QH2  ARG  44           QH1      ARG  44  -3.863  -5.485  -4.066
  486    H    PHE  45           HN       PHE  45  -3.497  -0.610   2.420
  487    HA   PHE  45           HA       PHE  45  -4.945  -2.410   4.305
  488   1HB   PHE  45          2HB       PHE  45  -2.933  -0.263   5.064
  489   2HB   PHE  45          3HB       PHE  45  -3.912  -1.210   6.174
  490    HD1  PHE  45          2HD       PHE  45  -3.524  -3.665   6.443
  491    HD2  PHE  45          1HD       PHE  45  -1.002  -1.262   3.903
  492    HE1  PHE  45          2HE       PHE  45  -2.045  -5.606   6.068
  493    HE2  PHE  45          1HE       PHE  45   0.477  -3.209   3.533
  494    HZ   PHE  45           HZ       PHE  45  -0.168  -5.423   4.487
  495    QB   PHE  45           QB       PHE  45  -3.423  -0.737   5.619
  496    QR   PHE  45           QR       PHE  45  -1.524  -3.435   4.987
  497    H    LYS  46           HN       LYS  46  -6.803  -1.470   5.064
  498    HA   LYS  46           HA       LYS  46  -7.642   1.074   3.880
  499   1HB   LYS  46          2HB       LYS  46  -9.700   0.760   5.101
  500   2HB   LYS  46          3HB       LYS  46  -9.263  -0.646   4.113
  501   1HG   LYS  46          2HG       LYS  46  -8.770  -1.992   6.030
  502   2HG   LYS  46          3HG       LYS  46  -8.552  -0.584   7.062
  503   1HD   LYS  46          2HD       LYS  46 -10.535  -1.538   7.768
  504   2HD   LYS  46          3HD       LYS  46 -10.999  -0.075   6.917
  505   1HE   LYS  46          2HE       LYS  46 -11.126  -2.943   5.816
  506   2HE   LYS  46          3HE       LYS  46 -12.483  -2.048   6.506
  507   1HZ   LYS  46          1HZ       LYS  46 -12.207  -0.417   4.727
  508   2HZ   LYS  46          2HZ       LYS  46 -11.054  -1.366   4.036
  509   3HZ   LYS  46          3HZ       LYS  46 -12.591  -1.919   4.175
  510    QB   LYS  46           QB       LYS  46  -9.481   0.057   4.607
  511    QG   LYS  46           QG       LYS  46  -8.661  -1.288   6.546
  512    QD   LYS  46           QD       LYS  46 -10.767  -0.806   7.342
  513    QE   LYS  46           QE       LYS  46 -11.805  -2.496   6.161
  514    QZ   LYS  46           QZ       LYS  46 -11.951  -1.234   4.313
  515    H    THR  47           HN       THR  47  -5.995   0.087   6.782
  516    HA   THR  47           HA       THR  47  -6.156   2.867   7.839
  517    HB   THR  47           HB       THR  47  -6.119   1.764  10.114
  518    HG1  THR  47          1HG       THR  47  -5.773  -0.410   9.265
  519   1HG2  THR  47          1HG2      THR  47  -8.117   2.941   9.271
  520   2HG2  THR  47          2HG2      THR  47  -8.657   1.474   8.432
  521   3HG2  THR  47          3HG2      THR  47  -8.569   1.499  10.202
  522    QG2  THR  47           QG2      THR  47  -8.448   1.971   9.302
  523    H    ILE  48           HN       ILE  48  -4.455   3.680   8.763
  524    HA   ILE  48           HA       ILE  48  -1.840   2.831   8.044
  525    HB   ILE  48           HB       ILE  48  -2.692   5.190   8.789
  526   1HG1  ILE  48          2HG1      ILE  48  -0.501   5.726  10.025
  527   2HG1  ILE  48          3HG1      ILE  48  -0.063   4.025   9.794
  528   1HG2  ILE  48          2HG2      ILE  48  -3.680   4.347  10.971
  529   2HG2  ILE  48          3HG2      ILE  48  -2.015   4.116  11.563
  530   3HG2  ILE  48          1HG2      ILE  48  -2.584   5.733  11.134
  531   1HD1  ILE  48          3HD1      ILE  48  -0.368   4.397   7.308
  532   2HD1  ILE  48          1HD1      ILE  48  -0.715   6.106   7.664
  533   3HD1  ILE  48          2HD1      ILE  48   0.875   5.431   8.052
  534    QG1  ILE  48           QG1      ILE  48  -0.282   4.876   9.910
  535    QG2  ILE  48           QG2      ILE  48  -2.760   4.732  11.223
  536    QD1  ILE  48           QD1      ILE  48  -0.069   5.311   7.675
  537    H    GLU  49           HN       GLU  49  -3.805   2.172  10.908
  538    HA   GLU  49           HA       GLU  49  -1.639   1.120  12.407
  539   1HB   GLU  49          2HB       GLU  49  -4.299   1.841  12.926
  540   2HB   GLU  49          3HB       GLU  49  -4.415   0.079  12.963
  541   1HG   GLU  49          2HG       GLU  49  -3.993   1.023  15.196
  542   2HG   GLU  49          3HG       GLU  49  -2.604   0.049  14.683
  543    QB   GLU  49           QB       GLU  49  -4.357   0.960  12.945
  544    QG   GLU  49           QG       GLU  49  -3.298   0.536  14.939
  545    H    GLU  50           HN       GLU  50  -3.740  -0.366  10.003
  546    HA   GLU  50           HA       GLU  50  -2.874  -3.057  10.810
  547   1HB   GLU  50          2HB       GLU  50  -4.407  -2.122   8.371
  548   2HB   GLU  50          3HB       GLU  50  -4.063  -3.811   8.802
  549   1HG   GLU  50          2HG       GLU  50  -5.572  -1.865  10.628
  550   2HG   GLU  50          3HG       GLU  50  -6.348  -3.040   9.568
  551    QB   GLU  50           QB       GLU  50  -4.235  -2.966   8.587
  552    QG   GLU  50           QG       GLU  50  -5.960  -2.453  10.098
  553    H    CYS  51           HN       CYS  51  -1.976  -0.647   8.311
  554    HA   CYS  51           HA       CYS  51   0.134  -2.239   7.189
  555   1HB   CYS  51          2HB       CYS  51  -0.515  -0.198   6.039
  556   2HB   CYS  51          3HB       CYS  51  -0.081   0.801   7.428
  557    QB   CYS  51           QB       CYS  51  -0.298   0.301   6.733
  558    NH1  ARG  52           NH2      ARG  52  -0.125   4.089  14.276
  559    NH2  ARG  52           NH1      ARG  52   0.636   5.362  12.522
  560    H    ARG  52           HN       ARG  52   0.173   0.189   9.844
  561    HA   ARG  52           HA       ARG  52   2.836  -0.064  10.547
  562   1HB   ARG  52          2HB       ARG  52   1.118   1.544  11.428
  563   2HB   ARG  52          3HB       ARG  52   0.567   0.280  12.543
  564   1HG   ARG  52          2HG       ARG  52   2.816   0.199  13.562
  565   2HG   ARG  52          3HG       ARG  52   3.420   1.384  12.392
  566   1HD   ARG  52          2HD       ARG  52   1.176   1.822  14.385
  567   2HD   ARG  52          3HD       ARG  52   2.828   2.392  14.611
  568    HE   ARG  52           HE       ARG  52   2.421   3.618  12.345
  569   1HH1  ARG  52          2HH2      ARG  52  -0.093   3.237  14.846
  570   2HH1  ARG  52          1HH2      ARG  52  -1.118   4.325  14.162
  571   1HH2  ARG  52          2HH1      ARG  52   1.310   5.568  11.802
  572   2HH2  ARG  52          1HH1      ARG  52  -0.115   6.014  12.691
  573    QB   ARG  52           QB       ARG  52   0.842   0.912  11.986
  574    QG   ARG  52           QG       ARG  52   3.118   0.791  12.977
  575    QD   ARG  52           QD       ARG  52   2.002   2.107  14.498
  576    QH1  ARG  52           QH2      ARG  52  -0.605   3.781  14.504
  577    QH2  ARG  52           QH1      ARG  52   0.598   5.791  12.247
  578    NH1  ARG  53           NH2      ARG  53  -3.526  -3.271  14.047
  579    NH2  ARG  53           NH1      ARG  53  -4.308  -3.520  16.222
  580    H    ARG  53           HN       ARG  53   0.093  -2.047  11.757
  581    HA   ARG  53           HA       ARG  53   1.642  -3.807  13.376
  582   1HB   ARG  53          2HB       ARG  53  -1.096  -3.813  12.219
  583   2HB   ARG  53          3HB       ARG  53  -0.397  -5.409  12.289
  584   1HG   ARG  53          2HG       ARG  53  -1.537  -5.177  14.286
  585   2HG   ARG  53          3HG       ARG  53   0.166  -5.091  14.706
  586   1HD   ARG  53          2HD       ARG  53   0.023  -2.976  15.523
  587   2HD   ARG  53          3HD       ARG  53  -0.960  -2.390  14.202
  588    HE   ARG  53           HE       ARG  53  -1.856  -3.206  16.799
  589   1HH1  ARG  53          2HH2      ARG  53  -2.751  -3.087  13.429
  590   2HH1  ARG  53          1HH2      ARG  53  -4.444  -3.409  13.606
  591   1HH2  ARG  53          2HH1      ARG  53  -4.142  -3.569  17.217
  592   2HH2  ARG  53          1HH1      ARG  53  -5.252  -3.632  15.881
  593    QB   ARG  53           QB       ARG  53  -0.746  -4.611  12.254
  594    QG   ARG  53           QG       ARG  53  -0.685  -5.134  14.496
  595    QD   ARG  53           QD       ARG  53  -0.469  -2.683  14.862
  596    QH1  ARG  53           QH2      ARG  53  -3.598  -3.248  13.518
  597    QH2  ARG  53           QH1      ARG  53  -4.697  -3.601  16.549
  598    H    THR  54           HN       THR  54   0.902  -3.949   9.877
  599    HA   THR  54           HA       THR  54   1.812  -6.635   9.532
  600    HB   THR  54           HB       THR  54   1.567  -4.348   7.523
  601    HG1  THR  54          1HG       THR  54  -0.366  -4.928   8.526
  602   1HG2  THR  54          2HG2      THR  54   1.920  -7.351   7.128
  603   2HG2  THR  54          3HG2      THR  54   1.394  -6.220   5.875
  604   3HG2  THR  54          1HG2      THR  54   3.010  -6.060   6.563
  605    QG2  THR  54           QG2      THR  54   2.108  -6.543   6.522
  606    H    CYS  55           HN       CYS  55   3.449  -3.492   9.247
  607    HA   CYS  55           HA       CYS  55   5.933  -4.959   8.421
  608   1HB   CYS  55          2HB       CYS  55   4.731  -3.417   6.875
  609   2HB   CYS  55          3HB       CYS  55   5.374  -2.077   7.825
  610    QB   CYS  55           QB       CYS  55   5.053  -2.747   7.350
  611    H    VAL  56           HN       VAL  56   4.789  -2.473  10.629
  612    HA   VAL  56           HA       VAL  56   7.462  -2.240  11.922
  613    HB   VAL  56           HB       VAL  56   4.938  -0.582  12.380
  614   1HG1  VAL  56          3HG1      VAL  56   7.792  -0.295  13.358
  615   2HG1  VAL  56          1HG1      VAL  56   6.723   1.107  13.197
  616   3HG1  VAL  56          2HG1      VAL  56   6.267  -0.186  14.278
  617   1HG2  VAL  56          1HG2      VAL  56   7.341   0.018  10.616
  618   2HG2  VAL  56          2HG2      VAL  56   5.666  -0.221  10.066
  619   3HG2  VAL  56          3HG2      VAL  56   6.070   1.183  11.041
  620    QG1  VAL  56           QG1      VAL  56   6.927   0.209  13.611
  621    QG2  VAL  56           QG2      VAL  56   6.359   0.327  10.574
  622    QQG  VAL  56           QQG      VAL  56   6.643   0.268  12.093
  623    H    GLY  57           HN       GLY  57   6.726  -1.991  14.632
  624   1HA   GLY  57          1HA       GLY  57   4.576  -3.612  15.451
  625   2HA   GLY  57          2HA       GLY  57   6.131  -4.469  15.628
  626    QA   GLY  57           QA       GLY  57   5.353  -4.040  15.539
   
  Start of MODEL           3
 Raw file had  626 H/Q atoms
  Start of MODEL    3
    1    H    ALA   1           HN       ALA   1   9.641  -6.815  10.268
    2    HA   ALA   1           HA       ALA   1   7.299  -6.579   9.354
    3   1HB   ALA   1          2HB       ALA   1   9.172  -5.026   8.668
    4   2HB   ALA   1          3HB       ALA   1   9.618  -6.177   7.391
    5   3HB   ALA   1          1HB       ALA   1   8.049  -5.347   7.334
    6    QB   ALA   1           QB       ALA   1   8.947  -5.517   7.798
    7    H    ALA   2           HN       ALA   2   6.094  -7.005   7.186
    8    HA   ALA   2           HA       ALA   2   6.231  -9.867   6.647
    9   1HB   ALA   2          1HB       ALA   2   4.079  -8.662   6.868
   10   2HB   ALA   2          2HB       ALA   2   4.464  -7.716   5.410
   11   3HB   ALA   2          3HB       ALA   2   4.246  -9.474   5.301
   12    QB   ALA   2           QB       ALA   2   4.263  -8.618   5.859
   13    H    LYS   3           HN       LYS   3   6.623 -10.817   4.593
   14    HA   LYS   3           HA       LYS   3   8.882  -9.825   3.301
   15   1HB   LYS   3          2HB       LYS   3   7.452 -12.213   3.295
   16   2HB   LYS   3          3HB       LYS   3   7.226 -11.671   1.639
   17   1HG   LYS   3          2HG       LYS   3   9.859 -12.064   3.114
   18   2HG   LYS   3          3HG       LYS   3   9.157 -13.144   1.895
   19   1HD   LYS   3          2HD       LYS   3   9.268 -11.255   0.219
   20   2HD   LYS   3          3HD       LYS   3  10.160 -10.289   1.395
   21   1HE   LYS   3          2HE       LYS   3  11.017 -12.941   0.134
   22   2HE   LYS   3          3HE       LYS   3  11.705 -11.342  -0.172
   23   1HZ   LYS   3          3HZ       LYS   3  12.415 -11.318   2.165
   24   2HZ   LYS   3          1HZ       LYS   3  11.870 -12.862   2.346
   25   3HZ   LYS   3          2HZ       LYS   3  13.096 -12.543   1.306
   26    QB   LYS   3           QB       LYS   3   7.339 -11.942   2.467
   27    QG   LYS   3           QG       LYS   3   9.508 -12.604   2.504
   28    QD   LYS   3           QD       LYS   3   9.714 -10.772   0.807
   29    QE   LYS   3           QE       LYS   3  11.361 -12.142  -0.019
   30    QZ   LYS   3           QZ       LYS   3  12.460 -12.241   1.939
   31    OH   TYR   4           OH       TYR   4   0.625  -8.682   5.051
   32    H    TYR   4           HN       TYR   4   5.464  -9.765   2.158
   33    HA   TYR   4           HA       TYR   4   5.976  -8.509  -0.325
   34   1HB   TYR   4          2HB       TYR   4   3.558  -7.994  -0.232
   35   2HB   TYR   4          3HB       TYR   4   3.982  -9.689   0.046
   36    HD1  TYR   4           HD2      TYR   4   2.962  -6.530   1.816
   37    HD2  TYR   4           HD1      TYR   4   3.098 -10.844   1.906
   38    HE1  TYR   4           HE2      TYR   4   1.519  -6.542   3.817
   39    HE2  TYR   4           HE1      TYR   4   1.600 -10.847   3.867
   40    HH   TYR   4           HH       TYR   4   0.314  -9.554   5.303
   41    QB   TYR   4           QB       TYR   4   3.770  -8.841  -0.093
   42    QR   TYR   4           QR       TYR   4   2.295  -8.691   2.851
   43    H    CYS   5           HN       CYS   5   6.038  -7.180   2.837
   44    HA   CYS   5           HA       CYS   5   5.056  -4.585   2.375
   45   1HB   CYS   5          2HB       CYS   5   5.879  -5.807   4.547
   46   2HB   CYS   5          3HB       CYS   5   7.404  -4.975   4.243
   47    QB   CYS   5           QB       CYS   5   6.642  -5.391   4.395
   48    H    LYS   6           HN       LYS   6   7.957  -6.061   1.184
   49    HA   LYS   6           HA       LYS   6   9.457  -3.733   0.645
   50   1HB   LYS   6          2HB       LYS   6  10.229  -6.111   0.891
   51   2HB   LYS   6          3HB       LYS   6   9.569  -6.454  -0.720
   52   1HG   LYS   6          2HG       LYS   6  11.116  -4.946  -1.758
   53   2HG   LYS   6          3HG       LYS   6  11.434  -4.135  -0.232
   54   1HD   LYS   6          2HD       LYS   6  13.396  -5.359  -0.591
   55   2HD   LYS   6          3HD       LYS   6  12.511  -6.158   0.697
   56   1HE   LYS   6          2HE       LYS   6  13.427  -7.848  -0.794
   57   2HE   LYS   6          3HE       LYS   6  11.662  -7.866  -0.930
   58   1HZ   LYS   6          2HZ       LYS   6  13.508  -6.539  -2.820
   59   2HZ   LYS   6          3HZ       LYS   6  12.775  -7.985  -3.068
   60   3HZ   LYS   6          1HZ       LYS   6  11.870  -6.620  -2.971
   61    QB   LYS   6           QB       LYS   6   9.899  -6.283   0.085
   62    QG   LYS   6           QG       LYS   6  11.275  -4.541  -0.995
   63    QD   LYS   6           QD       LYS   6  12.954  -5.758   0.053
   64    QE   LYS   6           QE       LYS   6  12.545  -7.857  -0.862
   65    QZ   LYS   6           QZ       LYS   6  12.718  -7.048  -2.953
   66    H    LEU   7           HN       LEU   7   6.588  -4.929  -0.922
   67    HA   LEU   7           HA       LEU   7   7.278  -4.290  -3.588
   68   1HB   LEU   7          2HB       LEU   7   4.643  -4.498  -2.151
   69   2HB   LEU   7          3HB       LEU   7   4.765  -4.231  -3.891
   70    HG   LEU   7           HG       LEU   7   6.315  -6.546  -2.766
   71   1HD1  LEU   7          1HD1      LEU   7   3.584  -6.440  -2.127
   72   2HD1  LEU   7          2HD1      LEU   7   3.669  -7.425  -3.606
   73   3HD1  LEU   7          3HD1      LEU   7   4.636  -7.870  -2.220
   74   1HD2  LEU   7          3HD2      LEU   7   4.668  -6.103  -5.307
   75   2HD2  LEU   7          1HD2      LEU   7   6.434  -5.941  -5.182
   76   3HD2  LEU   7          2HD2      LEU   7   5.664  -7.528  -4.962
   77    QB   LEU   7           QB       LEU   7   4.704  -4.365  -3.021
   78    QD1  LEU   7           QD1      LEU   7   3.963  -7.245  -2.651
   79    QD2  LEU   7           QD2      LEU   7   5.588  -6.524  -5.150
   80    QQD  LEU   7           QQD      LEU   7   4.776  -6.885  -3.901
   81    HA   PRO   8           HA       PRO   8   7.154   0.160  -3.415
   82   1HB   PRO   8          2HB       PRO   8   7.342   0.796  -6.055
   83   2HB   PRO   8          3HB       PRO   8   8.599  -0.159  -5.230
   84   1HG   PRO   8          2HG       PRO   8   6.252  -1.233  -6.834
   85   2HG   PRO   8          3HG       PRO   8   7.990  -1.574  -7.096
   86   1HD   PRO   8          2HD       PRO   8   6.445  -3.245  -5.601
   87   2HD   PRO   8          3HD       PRO   8   8.128  -2.865  -5.120
   88    QB   PRO   8           QB       PRO   8   7.971   0.318  -5.643
   89    QG   PRO   8           QG       PRO   8   7.121  -1.404  -6.965
   90    QD   PRO   8           QD       PRO   8   7.287  -3.055  -5.361
   91    H    LEU   9           HN       LEU   9   6.057   2.084  -4.892
   92    HA   LEU   9           HA       LEU   9   3.362   2.049  -3.989
   93   1HB   LEU   9          2HB       LEU   9   4.641   4.107  -4.032
   94   2HB   LEU   9          3HB       LEU   9   4.763   4.050  -5.789
   95    HG   LEU   9           HG       LEU   9   2.415   4.412  -6.078
   96   1HD1  LEU   9          1HD1      LEU   9   2.090   4.035  -3.075
   97   2HD1  LEU   9          2HD1      LEU   9   0.865   4.756  -4.117
   98   3HD1  LEU   9          3HD1      LEU   9   1.341   3.079  -4.361
   99   1HD2  LEU   9          1HD2      LEU   9   3.805   6.397  -5.550
  100   2HD2  LEU   9          2HD2      LEU   9   2.124   6.604  -5.029
  101   3HD2  LEU   9          3HD2      LEU   9   3.381   6.227  -3.832
  102    QB   LEU   9           QB       LEU   9   4.702   4.078  -4.911
  103    QD1  LEU   9           QD1      LEU   9   1.432   3.957  -3.851
  104    QD2  LEU   9           QD2      LEU   9   3.103   6.410  -4.804
  105    QQD  LEU   9           QQD      LEU   9   2.268   5.183  -4.328
  106    NH1  ARG  10           NH2      ARG  10   3.520  -4.480 -10.758
  107    NH2  ARG  10           NH1      ARG  10   1.444  -5.034 -11.619
  108    H    ARG  10           HN       ARG  10   2.579   0.205  -5.018
  109    HA   ARG  10           HA       ARG  10   2.321   0.220  -7.910
  110   1HB   ARG  10          2HB       ARG  10   2.995  -1.757  -6.508
  111   2HB   ARG  10          3HB       ARG  10   1.383  -1.744  -5.805
  112   1HG   ARG  10          2HG       ARG  10   1.490  -3.484  -7.441
  113   2HG   ARG  10          3HG       ARG  10   0.401  -2.215  -8.002
  114   1HD   ARG  10          2HD       ARG  10   2.141  -1.381  -9.545
  115   2HD   ARG  10          3HD       ARG  10   3.271  -2.593  -8.926
  116    HE   ARG  10           HE       ARG  10   0.592  -3.270 -10.119
  117   1HH1  ARG  10          2HH2      ARG  10   4.094  -3.906 -10.162
  118   2HH1  ARG  10          1HH2      ARG  10   3.964  -5.210 -11.295
  119   1HH2  ARG  10          2HH1      ARG  10   0.446  -4.881 -11.653
  120   2HH2  ARG  10          1HH1      ARG  10   1.842  -5.766 -12.188
  121    QB   ARG  10           QB       ARG  10   2.189  -1.750  -6.157
  122    QG   ARG  10           QG       ARG  10   0.946  -2.850  -7.721
  123    QD   ARG  10           QD       ARG  10   2.706  -1.987  -9.236
  124    QH1  ARG  10           QH2      ARG  10   4.029  -4.558 -10.728
  125    QH2  ARG  10           QH1      ARG  10   1.144  -5.324 -11.921
  126    H    ILE  11           HN       ILE  11   0.988   2.151  -7.947
  127    HA   ILE  11           HA       ILE  11  -1.630   2.289  -6.874
  128    HB   ILE  11           HB       ILE  11  -0.624   3.574  -9.451
  129   1HG1  ILE  11          2HG1      ILE  11  -0.398   4.361  -6.517
  130   2HG1  ILE  11          3HG1      ILE  11   0.893   4.138  -7.709
  131   1HG2  ILE  11          3HG2      ILE  11  -2.951   4.228  -7.600
  132   2HG2  ILE  11          1HG2      ILE  11  -2.420   5.258  -8.946
  133   3HG2  ILE  11          2HG2      ILE  11  -3.068   3.664  -9.274
  134   1HD1  ILE  11          3HD1      ILE  11  -0.005   6.124  -8.974
  135   2HD1  ILE  11          1HD1      ILE  11  -1.069   6.434  -7.573
  136   3HD1  ILE  11          2HD1      ILE  11   0.688   6.462  -7.375
  137    QG1  ILE  11           QG1      ILE  11   0.248   4.249  -7.113
  138    QG2  ILE  11           QG2      ILE  11  -2.813   4.383  -8.607
  139    QD1  ILE  11           QD1      ILE  11  -0.129   6.340  -7.974
  140    H    GLY  12           HN       GLY  12  -0.407   0.820  -9.832
  141   1HA   GLY  12          1HA       GLY  12  -1.309  -0.891 -11.070
  142   2HA   GLY  12          2HA       GLY  12  -2.845  -0.788 -10.217
  143    QA   GLY  12           QA       GLY  12  -2.077  -0.839 -10.643
  144    HA   PRO  13           HA       PRO  13  -2.649   2.181 -13.998
  145   1HB   PRO  13          2HB       PRO  13  -2.523   0.825 -16.327
  146   2HB   PRO  13          3HB       PRO  13  -1.094   0.962 -15.272
  147   1HG   PRO  13          2HG       PRO  13  -3.070  -1.347 -15.368
  148   2HG   PRO  13          3HG       PRO  13  -1.291  -1.431 -15.548
  149   1HD   PRO  13          2HD       PRO  13  -2.545  -1.809 -13.108
  150   2HD   PRO  13          3HD       PRO  13  -0.948  -1.006 -13.261
  151    QB   PRO  13           QB       PRO  13  -1.808   0.893 -15.799
  152    QG   PRO  13           QG       PRO  13  -2.181  -1.389 -15.458
  153    QD   PRO  13           QD       PRO  13  -1.746  -1.408 -13.185
  154    H    CYS  14           HN       CYS  14  -4.947   1.017 -12.481
  155    HA   CYS  14           HA       CYS  14  -6.988   0.652 -14.628
  156   1HB   CYS  14          2HB       CYS  14  -6.744  -0.276 -11.862
  157   2HB   CYS  14          3HB       CYS  14  -8.269   0.532 -12.182
  158    QB   CYS  14           QB       CYS  14  -7.506   0.128 -12.022
  159    H    LYS  15           HN       LYS  15  -9.096   1.842 -14.063
  160    HA   LYS  15           HA       LYS  15  -8.339   4.726 -14.070
  161   1HB   LYS  15          2HB       LYS  15  -9.197   3.563 -16.193
  162   2HB   LYS  15          3HB       LYS  15 -10.743   3.410 -15.373
  163   1HG   LYS  15          2HG       LYS  15 -10.300   6.110 -15.007
  164   2HG   LYS  15          3HG       LYS  15  -9.226   5.825 -16.365
  165   1HD   LYS  15          2HD       LYS  15 -11.125   6.417 -17.492
  166   2HD   LYS  15          3HD       LYS  15 -11.334   4.668 -17.480
  167   1HE   LYS  15          2HE       LYS  15 -12.614   6.754 -15.626
  168   2HE   LYS  15          3HE       LYS  15 -13.436   5.826 -16.887
  169   1HZ   LYS  15          2HZ       LYS  15 -12.977   3.831 -15.588
  170   2HZ   LYS  15          3HZ       LYS  15 -12.279   4.734 -14.402
  171   3HZ   LYS  15          1HZ       LYS  15 -13.876   4.918 -14.737
  172    QB   LYS  15           QB       LYS  15  -9.970   3.487 -15.783
  173    QG   LYS  15           QG       LYS  15  -9.763   5.967 -15.686
  174    QD   LYS  15           QD       LYS  15 -11.230   5.542 -17.486
  175    QE   LYS  15           QE       LYS  15 -13.025   6.290 -16.257
  176    QZ   LYS  15           QZ       LYS  15 -13.044   4.494 -14.909
  177    NH1  ARG  16           NH2      ARG  16 -15.256   2.046  -7.341
  178    NH2  ARG  16           NH1      ARG  16 -16.492   3.284  -8.860
  179    H    ARG  16           HN       ARG  16  -8.602   3.619 -11.713
  180    HA   ARG  16           HA       ARG  16 -11.110   4.691 -10.538
  181   1HB   ARG  16          2HB       ARG  16  -9.894   1.952 -10.337
  182   2HB   ARG  16          3HB       ARG  16 -10.441   2.653  -8.827
  183   1HG   ARG  16          2HG       ARG  16 -12.400   2.910 -11.041
  184   2HG   ARG  16          3HG       ARG  16 -12.029   1.251 -10.562
  185   1HD   ARG  16          2HD       ARG  16 -12.909   1.410  -8.502
  186   2HD   ARG  16          3HD       ARG  16 -12.474   3.115  -8.255
  187    HE   ARG  16           HE       ARG  16 -14.320   3.411 -10.115
  188   1HH1  ARG  16          2HH2      ARG  16 -14.375   1.645  -7.056
  189   2HH1  ARG  16          1HH2      ARG  16 -16.060   1.913  -6.747
  190   1HH2  ARG  16          2HH1      ARG  16 -16.560   3.812  -9.719
  191   2HH2  ARG  16          1HH1      ARG  16 -17.321   3.197  -8.290
  192    QB   ARG  16           QB       ARG  16 -10.168   2.303  -9.582
  193    QG   ARG  16           QG       ARG  16 -12.215   2.080 -10.801
  194    QD   ARG  16           QD       ARG  16 -12.691   2.263  -8.378
  195    QH1  ARG  16           QH2      ARG  16 -15.218   1.779  -6.902
  196    QH2  ARG  16           QH1      ARG  16 -16.941   3.505  -9.005
  197    H    LYS  17           HN       LYS  17 -10.845   4.889  -8.088
  198    HA   LYS  17           HA       LYS  17  -8.182   5.432  -7.072
  199   1HB   LYS  17          2HB       LYS  17  -8.547   7.759  -6.553
  200   2HB   LYS  17          3HB       LYS  17  -8.549   7.474  -8.289
  201   1HG   LYS  17          2HG       LYS  17 -11.109   7.520  -8.175
  202   2HG   LYS  17          3HG       LYS  17 -10.914   8.049  -6.485
  203   1HD   LYS  17          2HD       LYS  17  -9.505   9.978  -7.301
  204   2HD   LYS  17          3HD       LYS  17  -9.808   9.453  -8.958
  205   1HE   LYS  17          2HE       LYS  17 -11.337  11.256  -8.468
  206   2HE   LYS  17          3HE       LYS  17 -12.271   9.760  -8.607
  207   1HZ   LYS  17          3HZ       LYS  17 -11.420  11.029  -6.079
  208   2HZ   LYS  17          1HZ       LYS  17 -12.938  11.081  -6.712
  209   3HZ   LYS  17          2HZ       LYS  17 -12.310   9.652  -6.195
  210    QB   LYS  17           QB       LYS  17  -8.548   7.617  -7.421
  211    QG   LYS  17           QG       LYS  17 -11.011   7.784  -7.330
  212    QD   LYS  17           QD       LYS  17  -9.656   9.715  -8.129
  213    QE   LYS  17           QE       LYS  17 -11.804  10.508  -8.537
  214    QZ   LYS  17           QZ       LYS  17 -12.223  10.587  -6.329
  215    H    ILE  18           HN       ILE  18  -8.461   4.165  -5.290
  216    HA   ILE  18           HA       ILE  18 -10.747   4.738  -3.468
  217    HB   ILE  18           HB       ILE  18  -9.304   2.098  -3.950
  218   1HG1  ILE  18          2HG1      ILE  18 -12.014   1.626  -4.204
  219   2HG1  ILE  18          3HG1      ILE  18 -11.890   3.266  -4.859
  220   1HG2  ILE  18          3HG2      ILE  18 -11.446   2.800  -1.908
  221   2HG2  ILE  18          1HG2      ILE  18 -10.863   1.161  -2.291
  222   3HG2  ILE  18          2HG2      ILE  18  -9.763   2.334  -1.564
  223   1HD1  ILE  18          1HD1      ILE  18 -10.211   0.882  -5.761
  224   2HD1  ILE  18          2HD1      ILE  18 -11.662   1.476  -6.576
  225   3HD1  ILE  18          3HD1      ILE  18 -10.223   2.508  -6.484
  226    QG1  ILE  18           QG1      ILE  18 -11.952   2.446  -4.532
  227    QG2  ILE  18           QG2      ILE  18 -10.691   2.098  -1.921
  228    QD1  ILE  18           QD1      ILE  18 -10.699   1.622  -6.274
  229    HA   PRO  19           HA       PRO  19  -7.118   6.066  -1.128
  230   1HB   PRO  19          2HB       PRO  19  -8.303   6.616   1.306
  231   2HB   PRO  19          3HB       PRO  19  -8.285   7.707  -0.108
  232   1HG   PRO  19          2HG       PRO  19 -10.473   5.804   0.733
  233   2HG   PRO  19          3HG       PRO  19 -10.636   7.513   0.228
  234   1HD   PRO  19          2HD       PRO  19 -11.119   5.486  -1.479
  235   2HD   PRO  19          3HD       PRO  19 -10.262   6.946  -2.067
  236    QB   PRO  19           QB       PRO  19  -8.294   7.162   0.599
  237    QG   PRO  19           QG       PRO  19 -10.555   6.658   0.481
  238    QD   PRO  19           QD       PRO  19 -10.690   6.216  -1.773
  239    H    SER  20           HN       SER  20  -5.649   4.790  -0.145
  240    HA   SER  20           HA       SER  20  -6.392   2.765   1.829
  241   1HB   SER  20          2HB       SER  20  -4.666   2.005  -0.577
  242   2HB   SER  20          3HB       SER  20  -5.202   0.940   0.725
  243    HG   SER  20           HG       SER  20  -6.940   2.290  -1.045
  244    QB   SER  20           QB       SER  20  -4.934   1.472   0.074
  245    H    PHE  21           HN       PHE  21  -4.194   1.823   2.584
  246    HA   PHE  21           HA       PHE  21  -2.038   3.856   2.510
  247   1HB   PHE  21          2HB       PHE  21  -2.811   2.092   4.869
  248   2HB   PHE  21          3HB       PHE  21  -1.412   3.160   4.820
  249    HD1  PHE  21          2HD       PHE  21  -5.140   3.087   4.866
  250    HD2  PHE  21          1HD       PHE  21  -1.595   5.499   5.310
  251    HE1  PHE  21          2HE       PHE  21  -6.490   4.889   5.898
  252    HE2  PHE  21          1HE       PHE  21  -2.956   7.319   6.292
  253    HZ   PHE  21           HZ       PHE  21  -5.401   7.010   6.614
  254    QB   PHE  21           QB       PHE  21  -2.111   2.626   4.845
  255    QR   PHE  21           QR       PHE  21  -4.046   5.198   5.591
  256    OH   TYR  22           OH       TYR  22   5.017   4.506  -1.639
  257    H    TYR  22           HN       TYR  22   0.070   2.994   2.236
  258    HA   TYR  22           HA       TYR  22   0.375   0.073   2.116
  259   1HB   TYR  22          2HB       TYR  22   1.312   0.015   0.078
  260   2HB   TYR  22          3HB       TYR  22   0.037   1.134  -0.283
  261    HD1  TYR  22           HD2      TYR  22   0.996   3.764   0.337
  262    HD2  TYR  22           HD1      TYR  22   3.281   0.359  -1.021
  263    HE1  TYR  22           HE2      TYR  22   2.784   5.268  -0.447
  264    HE2  TYR  22           HE1      TYR  22   5.054   1.871  -1.822
  265    HH   TYR  22           HH       TYR  22   4.742   5.422  -1.581
  266    QB   TYR  22           QB       TYR  22   0.674   0.575  -0.103
  267    QR   TYR  22           QR       TYR  22   3.029   2.816  -0.738
  268    OH   TYR  23           OH       TYR  23   9.180  -0.498   7.343
  269    H    TYR  23           HN       TYR  23   2.799  -0.375   2.061
  270    HA   TYR  23           HA       TYR  23   4.186   1.531   3.888
  271   1HB   TYR  23          2HB       TYR  23   3.878  -0.867   4.524
  272   2HB   TYR  23          3HB       TYR  23   4.885  -1.303   3.155
  273    HD1  TYR  23           HD2      TYR  23   4.820   0.353   6.469
  274    HD2  TYR  23           HD1      TYR  23   7.301  -0.965   3.226
  275    HE1  TYR  23           HE2      TYR  23   6.775   0.345   7.990
  276    HE2  TYR  23           HE1      TYR  23   9.244  -1.056   4.753
  277    HH   TYR  23           HH       TYR  23   9.947  -0.923   6.955
  278    QB   TYR  23           QB       TYR  23   4.382  -1.085   3.839
  279    QR   TYR  23           QR       TYR  23   7.035  -0.331   5.609
  280    H    LYS  24           HN       LYS  24   5.510   2.985   2.872
  281    HA   LYS  24           HA       LYS  24   6.475   2.430   0.132
  282   1HB   LYS  24          2HB       LYS  24   5.769   4.678   0.827
  283   2HB   LYS  24          3HB       LYS  24   7.034   4.732   2.053
  284   1HG   LYS  24          2HG       LYS  24   8.770   4.567   0.295
  285   2HG   LYS  24          3HG       LYS  24   7.520   4.370  -0.945
  286   1HD   LYS  24          2HD       LYS  24   6.672   6.630  -0.454
  287   2HD   LYS  24          3HD       LYS  24   7.880   6.827   0.833
  288   1HE   LYS  24          2HE       LYS  24   9.717   6.653  -0.788
  289   2HE   LYS  24          3HE       LYS  24   8.580   6.285  -2.097
  290   1HZ   LYS  24          1HZ       LYS  24   7.660   8.489  -1.829
  291   2HZ   LYS  24          2HZ       LYS  24   8.731   8.837  -0.628
  292   3HZ   LYS  24          3HZ       LYS  24   9.266   8.561  -2.155
  293    QB   LYS  24           QB       LYS  24   6.401   4.705   1.440
  294    QG   LYS  24           QG       LYS  24   8.145   4.468  -0.325
  295    QD   LYS  24           QD       LYS  24   7.276   6.728   0.189
  296    QE   LYS  24           QE       LYS  24   9.149   6.469  -1.442
  297    QZ   LYS  24           QZ       LYS  24   8.552   8.629  -1.537
  298    CH2  TRP  25           CH2      TRP  25  12.330  -4.586   4.122
  299    H    TRP  25           HN       TRP  25   7.716   0.450   0.616
  300    HA   TRP  25           HA       TRP  25   9.683   0.200   2.567
  301   1HB   TRP  25          2HB       TRP  25   8.973  -1.593   1.083
  302   2HB   TRP  25          3HB       TRP  25   9.812  -0.856  -0.279
  303    HD1  TRP  25           HD1      TRP  25  12.457  -1.014  -0.326
  304    HE1  TRP  25           HE1      TRP  25  14.168  -2.495   0.847
  305    HE3  TRP  25           HE3      TRP  25   9.413  -3.073   3.210
  306    HZ2  TRP  25           HZ2      TRP  25  14.223  -4.327   3.109
  307    HZ3  TRP  25           HZ3      TRP  25  10.294  -4.695   4.849
  308    HH2  TRP  25           HH2      TRP  25  12.715  -5.298   4.838
  309    QB   TRP  25           QB       TRP  25   9.393  -1.224   0.402
  310    H    LYS  26           HN       LYS  26   9.886   2.034  -0.417
  311    HA   LYS  26           HA       LYS  26  12.684   2.415  -0.464
  312   1HB   LYS  26          2HB       LYS  26  10.715   2.917  -2.197
  313   2HB   LYS  26          3HB       LYS  26  10.742   4.508  -1.454
  314   1HG   LYS  26          2HG       LYS  26  12.087   4.530  -3.441
  315   2HG   LYS  26          3HG       LYS  26  13.193   4.678  -2.057
  316   1HD   LYS  26          2HD       LYS  26  13.909   2.356  -2.305
  317   2HD   LYS  26          3HD       LYS  26  12.530   1.984  -3.339
  318   1HE   LYS  26          2HE       LYS  26  14.565   2.063  -4.651
  319   2HE   LYS  26          3HE       LYS  26  13.441   3.323  -5.168
  320   1HZ   LYS  26          2HZ       LYS  26  15.768   3.743  -3.396
  321   2HZ   LYS  26          3HZ       LYS  26  15.710   4.101  -4.997
  322   3HZ   LYS  26          1HZ       LYS  26  14.751   4.916  -3.944
  323    QB   LYS  26           QB       LYS  26  10.728   3.712  -1.825
  324    QG   LYS  26           QG       LYS  26  12.640   4.604  -2.749
  325    QD   LYS  26           QD       LYS  26  13.220   2.170  -2.822
  326    QE   LYS  26           QE       LYS  26  14.003   2.693  -4.910
  327    QZ   LYS  26           QZ       LYS  26  15.410   4.253  -4.112
  328    H    ALA  27           HN       ALA  27  10.326   3.750   1.665
  329    HA   ALA  27           HA       ALA  27  12.241   5.771   2.778
  330   1HB   ALA  27          3HB       ALA  27   9.196   5.672   2.879
  331   2HB   ALA  27          1HB       ALA  27  10.223   6.887   3.659
  332   3HB   ALA  27          2HB       ALA  27  10.175   6.779   1.887
  333    QB   ALA  27           QB       ALA  27   9.865   6.446   2.809
  334    H    LYS  28           HN       LYS  28  10.118   3.068   3.376
  335    HA   LYS  28           HA       LYS  28   9.749   1.623   4.956
  336   1HB   LYS  28          2HB       LYS  28  12.178   2.736   6.399
  337   2HB   LYS  28          3HB       LYS  28  11.305   1.258   6.820
  338   1HG   LYS  28          2HG       LYS  28  11.770   0.277   4.621
  339   2HG   LYS  28          3HG       LYS  28  12.554   1.775   4.090
  340   1HD   LYS  28          2HD       LYS  28  14.347   1.557   5.605
  341   2HD   LYS  28          3HD       LYS  28  13.591   0.184   6.445
  342   1HE   LYS  28          2HE       LYS  28  13.815  -1.253   4.507
  343   2HE   LYS  28          3HE       LYS  28  14.275   0.099   3.462
  344   1HZ   LYS  28          2HZ       LYS  28  15.899  -0.865   5.725
  345   2HZ   LYS  28          3HZ       LYS  28  16.151  -1.261   4.150
  346   3HZ   LYS  28          1HZ       LYS  28  16.318   0.297   4.637
  347    QB   LYS  28           QB       LYS  28  11.742   1.997   6.610
  348    QG   LYS  28           QG       LYS  28  12.162   1.026   4.355
  349    QD   LYS  28           QD       LYS  28  13.969   0.870   6.025
  350    QE   LYS  28           QE       LYS  28  14.045  -0.577   3.985
  351    QZ   LYS  28           QZ       LYS  28  16.123  -0.610   4.837
  352    H    GLN  29           HN       GLN  29   7.905   3.329   4.870
  353    HA   GLN  29           HA       GLN  29   6.936   3.244   7.558
  354   1HB   GLN  29          2HB       GLN  29   7.684   5.913   6.387
  355   2HB   GLN  29          3HB       GLN  29   6.048   5.804   7.026
  356   1HG   GLN  29          2HG       GLN  29   7.126   4.766   9.158
  357   2HG   GLN  29          3HG       GLN  29   8.633   5.464   8.553
  358   1HE2  GLN  29          2HE2      GLN  29   7.440   8.874   9.009
  359   2HE2  GLN  29          1HE2      GLN  29   8.468   7.894   7.979
  360    QB   GLN  29           QB       GLN  29   6.866   5.858   6.707
  361    QG   GLN  29           QG       GLN  29   7.880   5.115   8.856
  362    QE2  GLN  29           QE2      GLN  29   7.954   8.384   8.494
  363    H    CYS  30           HN       CYS  30   4.633   3.756   7.662
  364    HA   CYS  30           HA       CYS  30   3.168   2.779   5.296
  365   1HB   CYS  30          2HB       CYS  30   2.304   3.511   8.089
  366   2HB   CYS  30          3HB       CYS  30   1.258   2.803   6.840
  367    QB   CYS  30           QB       CYS  30   1.781   3.157   7.465
  368    H    LEU  31           HN       LEU  31   1.926   4.086   3.989
  369    HA   LEU  31           HA       LEU  31   1.535   6.954   4.687
  370   1HB   LEU  31          2HB       LEU  31   2.606   5.831   2.063
  371   2HB   LEU  31          3HB       LEU  31   2.271   7.529   2.384
  372    HG   LEU  31           HG       LEU  31   4.494   5.852   3.611
  373   1HD1  LEU  31          2HD1      LEU  31   4.678   6.561   1.183
  374   2HD1  LEU  31          3HD1      LEU  31   4.567   8.243   1.712
  375   3HD1  LEU  31          1HD1      LEU  31   5.940   7.245   2.236
  376   1HD2  LEU  31          2HD2      LEU  31   3.872   8.828   3.965
  377   2HD2  LEU  31          3HD2      LEU  31   3.749   7.603   5.238
  378   3HD2  LEU  31          1HD2      LEU  31   5.327   7.990   4.548
  379    QB   LEU  31           QB       LEU  31   2.438   6.680   2.224
  380    QD1  LEU  31           QD1      LEU  31   5.062   7.350   1.710
  381    QD2  LEU  31           QD2      LEU  31   4.316   8.141   4.584
  382    QQD  LEU  31           QQD      LEU  31   4.689   7.745   3.147
  383    HA   PRO  32           HA       PRO  32  -2.381   6.073   2.577
  384   1HB   PRO  32          2HB       PRO  32  -3.273   8.572   2.036
  385   2HB   PRO  32          3HB       PRO  32  -3.163   7.968   3.710
  386   1HG   PRO  32          2HG       PRO  32  -1.123   9.652   2.217
  387   2HG   PRO  32          3HG       PRO  32  -1.829   9.982   3.826
  388   1HD   PRO  32          2HD       PRO  32   0.575   8.748   3.536
  389   2HD   PRO  32          3HD       PRO  32  -0.556   8.240   4.825
  390    QB   PRO  32           QB       PRO  32  -3.218   8.270   2.873
  391    QG   PRO  32           QG       PRO  32  -1.476   9.817   3.021
  392    QD   PRO  32           QD       PRO  32   0.010   8.494   4.180
  393    H    PHE  33           HN       PHE  33  -3.272   6.183   0.395
  394    HA   PHE  33           HA       PHE  33  -2.341   7.967  -1.589
  395   1HB   PHE  33          2HB       PHE  33  -1.262   6.535  -3.139
  396   2HB   PHE  33          3HB       PHE  33  -0.386   6.319  -1.642
  397    HD1  PHE  33          2HD       PHE  33  -1.479   4.314  -0.072
  398    HD2  PHE  33          1HD       PHE  33  -1.744   4.607  -4.376
  399    HE1  PHE  33          2HE       PHE  33  -2.108   1.933  -0.211
  400    HE2  PHE  33          1HE       PHE  33  -2.136   2.189  -4.510
  401    HZ   PHE  33           HZ       PHE  33  -2.301   0.831  -2.385
  402    QB   PHE  33           QB       PHE  33  -0.824   6.427  -2.391
  403    QR   PHE  33           QR       PHE  33  -1.867   3.261  -2.292
  404    H    ASP  34           HN       ASP  34  -3.427   7.141  -3.817
  405    HA   ASP  34           HA       ASP  34  -6.066   5.908  -3.168
  406   1HB   ASP  34          2HB       ASP  34  -5.244   8.158  -4.919
  407   2HB   ASP  34          3HB       ASP  34  -6.193   6.931  -5.752
  408    QB   ASP  34           QB       ASP  34  -5.719   7.545  -5.335
  409    OH   TYR  35           OH       TYR  35  -5.275  -3.220  -7.719
  410    H    TYR  35           HN       TYR  35  -6.293   3.860  -3.833
  411    HA   TYR  35           HA       TYR  35  -4.306   2.659  -5.660
  412   1HB   TYR  35          2HB       TYR  35  -4.929   1.419  -3.621
  413   2HB   TYR  35          3HB       TYR  35  -6.635   1.514  -4.052
  414    HD1  TYR  35           HD1      TYR  35  -3.574   0.595  -6.014
  415    HD2  TYR  35           HD2      TYR  35  -7.480  -0.616  -4.720
  416    HE1  TYR  35           HE1      TYR  35  -3.451  -1.347  -7.518
  417    HE2  TYR  35           HE2      TYR  35  -7.233  -2.724  -6.015
  418    HH   TYR  35           HH       TYR  35  -4.746  -2.986  -8.491
  419    QB   TYR  35           QB       TYR  35  -5.782   1.467  -3.837
  420    QR   TYR  35           QR       TYR  35  -5.435  -1.023  -6.067
  421    H    SER  36           HN       SER  36  -4.922   1.685  -7.704
  422    HA   SER  36           HA       SER  36  -7.293   2.852  -8.897
  423   1HB   SER  36          2HB       SER  36  -6.611   1.851 -10.890
  424   2HB   SER  36          3HB       SER  36  -5.188   2.566 -10.136
  425    HG   SER  36           HG       SER  36  -4.396   0.608  -9.704
  426    QB   SER  36           QB       SER  36  -5.900   2.209 -10.513
  427    H    GLY  37           HN       GLY  37  -6.494  -0.608  -9.176
  428   1HA   GLY  37          1HA       GLY  37  -8.734  -1.651  -7.717
  429   2HA   GLY  37          2HA       GLY  37  -9.285  -1.252  -9.350
  430    QA   GLY  37           QA       GLY  37  -9.009  -1.452  -8.534
  431    H    CYS  38           HN       CYS  38  -6.963  -1.893 -10.805
  432    HA   CYS  38           HA       CYS  38  -6.773  -4.853 -10.488
  433   1HB   CYS  38          2HB       CYS  38  -6.159  -4.948 -12.832
  434   2HB   CYS  38          3HB       CYS  38  -7.799  -4.364 -12.601
  435    QB   CYS  38           QB       CYS  38  -6.979  -4.656 -12.717
  436    H    GLY  39           HN       GLY  39  -4.671  -5.718 -11.181
  437   1HA   GLY  39          1HA       GLY  39  -2.429  -5.943 -10.854
  438   2HA   GLY  39          2HA       GLY  39  -2.374  -4.430 -11.772
  439    QA   GLY  39           QA       GLY  39  -2.402  -5.186 -11.313
  440    H    GLY  40           HN       GLY  40  -3.510  -4.927  -8.387
  441   1HA   GLY  40          1HA       GLY  40  -1.493  -3.023  -7.342
  442   2HA   GLY  40          2HA       GLY  40  -2.800  -3.748  -6.453
  443    QA   GLY  40           QA       GLY  40  -2.147  -3.386  -6.897
  444    H    ASN  41           HN       ASN  41  -1.581  -4.593  -4.764
  445    HA   ASN  41           HA       ASN  41  -0.417  -7.166  -5.095
  446   1HB   ASN  41          2HB       ASN  41   1.791  -6.632  -4.203
  447   2HB   ASN  41          3HB       ASN  41   1.558  -5.793  -5.726
  448   1HD2  ASN  41          2HD2      ASN  41   2.692  -2.844  -4.103
  449   2HD2  ASN  41          1HD2      ASN  41   2.937  -4.069  -5.331
  450    QB   ASN  41           QB       ASN  41   1.674  -6.213  -4.964
  451    QD2  ASN  41           QD2      ASN  41   2.814  -3.456  -4.717
  452    H    ALA  42           HN       ALA  42   0.677  -7.596  -2.735
  453    HA   ALA  42           HA       ALA  42  -1.488  -7.495  -0.832
  454   1HB   ALA  42          2HB       ALA  42   1.425  -8.363  -0.583
  455   2HB   ALA  42          3HB       ALA  42   0.172  -8.697   0.616
  456   3HB   ALA  42          1HB       ALA  42   0.072  -9.419  -1.002
  457    QB   ALA  42           QB       ALA  42   0.556  -8.826  -0.323
  458    H    ASN  43           HN       ASN  43   1.017  -5.209  -1.452
  459    HA   ASN  43           HA       ASN  43   1.294  -4.267   1.284
  460   1HB   ASN  43          2HB       ASN  43   2.999  -4.101  -0.748
  461   2HB   ASN  43          3HB       ASN  43   2.070  -2.691  -1.209
  462   1HD2  ASN  43          2HD2      ASN  43   4.739  -1.280   0.851
  463   2HD2  ASN  43          1HD2      ASN  43   4.662  -2.128  -0.655
  464    QB   ASN  43           QB       ASN  43   2.535  -3.396  -0.978
  465    QD2  ASN  43           QD2      ASN  43   4.700  -1.704   0.098
  466    NH1  ARG  44           NH2      ARG  44  -1.994  -0.596  -4.416
  467    NH2  ARG  44           NH1      ARG  44  -0.740  -2.471  -4.068
  468    H    ARG  44           HN       ARG  44  -1.246  -4.232   1.414
  469    HA   ARG  44           HA       ARG  44  -2.090  -1.446   0.947
  470   1HB   ARG  44          2HB       ARG  44  -2.522  -3.323  -1.018
  471   2HB   ARG  44          3HB       ARG  44  -4.068  -3.367  -0.183
  472   1HG   ARG  44          2HG       ARG  44  -4.436  -1.002  -0.499
  473   2HG   ARG  44          3HG       ARG  44  -2.752  -0.751  -0.983
  474   1HD   ARG  44          2HD       ARG  44  -4.891  -2.167  -2.609
  475   2HD   ARG  44          3HD       ARG  44  -4.140  -0.642  -2.933
  476    HE   ARG  44           HE       ARG  44  -2.808  -3.350  -2.990
  477   1HH1  ARG  44          2HH2      ARG  44  -2.837  -0.072  -4.262
  478   2HH1  ARG  44          1HH2      ARG  44  -1.346  -0.281  -5.133
  479   1HH2  ARG  44          2HH1      ARG  44  -0.478  -3.227  -3.432
  480   2HH2  ARG  44          1HH1      ARG  44   0.002  -2.043  -4.590
  481    QB   ARG  44           QB       ARG  44  -3.295  -3.345  -0.600
  482    QG   ARG  44           QG       ARG  44  -3.594  -0.877  -0.741
  483    QD   ARG  44           QD       ARG  44  -4.516  -1.404  -2.771
  484    QH1  ARG  44           QH2      ARG  44  -2.091  -0.176  -4.698
  485    QH2  ARG  44           QH1      ARG  44  -0.238  -2.635  -4.011
  486    H    PHE  45           HN       PHE  45  -3.315  -0.702   2.487
  487    HA   PHE  45           HA       PHE  45  -4.925  -2.496   4.272
  488   1HB   PHE  45          2HB       PHE  45  -2.888  -0.378   5.039
  489   2HB   PHE  45          3HB       PHE  45  -3.902  -1.300   6.139
  490    HD1  PHE  45          2HD       PHE  45  -3.529  -3.717   6.505
  491    HD2  PHE  45          1HD       PHE  45  -0.958  -1.485   3.871
  492    HE1  PHE  45          2HE       PHE  45  -1.830  -5.508   6.657
  493    HE2  PHE  45          1HE       PHE  45   0.712  -3.317   3.956
  494    HZ   PHE  45           HZ       PHE  45   0.276  -5.326   5.366
  495    QB   PHE  45           QB       PHE  45  -3.395  -0.839   5.589
  496    QR   PHE  45           QR       PHE  45  -1.401  -3.507   5.247
  497    H    LYS  46           HN       LYS  46  -6.760  -1.538   5.097
  498    HA   LYS  46           HA       LYS  46  -7.619   1.017   3.900
  499   1HB   LYS  46          2HB       LYS  46  -8.921  -0.915   5.872
  500   2HB   LYS  46          3HB       LYS  46  -9.676   0.577   5.312
  501   1HG   LYS  46          2HG       LYS  46  -8.849  -1.737   3.496
  502   2HG   LYS  46          3HG       LYS  46 -10.484  -1.395   4.086
  503   1HD   LYS  46          2HD       LYS  46 -10.301   0.911   3.024
  504   2HD   LYS  46          3HD       LYS  46  -8.797   0.370   2.245
  505   1HE   LYS  46          2HE       LYS  46  -9.990  -1.455   1.116
  506   2HE   LYS  46          3HE       LYS  46 -11.513  -0.952   1.873
  507   1HZ   LYS  46          2HZ       LYS  46  -9.881   0.726   0.076
  508   2HZ   LYS  46          3HZ       LYS  46 -11.258  -0.074  -0.352
  509   3HZ   LYS  46          1HZ       LYS  46 -11.318   1.151   0.745
  510    QB   LYS  46           QB       LYS  46  -9.298  -0.169   5.592
  511    QG   LYS  46           QG       LYS  46  -9.667  -1.566   3.791
  512    QD   LYS  46           QD       LYS  46  -9.549   0.640   2.634
  513    QE   LYS  46           QE       LYS  46 -10.751  -1.203   1.494
  514    QZ   LYS  46           QZ       LYS  46 -10.819   0.601   0.156
  515    H    THR  47           HN       THR  47  -5.958   0.016   6.755
  516    HA   THR  47           HA       THR  47  -6.313   2.773   7.875
  517    HB   THR  47           HB       THR  47  -5.944   1.831  10.091
  518    HG1  THR  47          1HG       THR  47  -6.436  -0.745   9.152
  519   1HG2  THR  47          3HG2      THR  47  -8.265   2.160   9.315
  520   2HG2  THR  47          1HG2      THR  47  -8.312   0.490   8.717
  521   3HG2  THR  47          2HG2      THR  47  -8.119   0.811  10.455
  522    QG2  THR  47           QG2      THR  47  -8.232   1.154   9.496
  523    H    ILE  48           HN       ILE  48  -4.367   3.695   8.679
  524    HA   ILE  48           HA       ILE  48  -1.840   2.549   7.667
  525    HB   ILE  48           HB       ILE  48  -2.251   5.061   7.996
  526   1HG1  ILE  48          2HG1      ILE  48   0.094   3.529   9.139
  527   2HG1  ILE  48          3HG1      ILE  48  -0.125   4.300   7.551
  528   1HG2  ILE  48          1HG2      ILE  48  -3.410   4.960  10.154
  529   2HG2  ILE  48          2HG2      ILE  48  -1.902   4.429  10.946
  530   3HG2  ILE  48          3HG2      ILE  48  -2.025   6.028  10.184
  531   1HD1  ILE  48          1HD1      ILE  48  -0.066   6.503   8.678
  532   2HD1  ILE  48          2HD1      ILE  48   0.279   5.652  10.223
  533   3HD1  ILE  48          3HD1      ILE  48   1.425   5.550   8.871
  534    QG1  ILE  48           QG1      ILE  48  -0.015   3.915   8.345
  535    QG2  ILE  48           QG2      ILE  48  -2.446   5.139  10.428
  536    QD1  ILE  48           QD1      ILE  48   0.546   5.902   9.258
  537    H    GLU  49           HN       GLU  49  -3.733   2.515  10.701
  538    HA   GLU  49           HA       GLU  49  -1.642   1.475  12.220
  539   1HB   GLU  49          2HB       GLU  49  -4.695   1.055  12.442
  540   2HB   GLU  49          3HB       GLU  49  -3.533   0.663  13.711
  541   1HG   GLU  49          2HG       GLU  49  -4.482   2.733  14.323
  542   2HG   GLU  49          3HG       GLU  49  -2.842   3.095  13.786
  543    QB   GLU  49           QB       GLU  49  -4.114   0.859  13.077
  544    QG   GLU  49           QG       GLU  49  -3.662   2.914  14.054
  545    H    GLU  50           HN       GLU  50  -4.009  -0.378  10.221
  546    HA   GLU  50           HA       GLU  50  -2.976  -2.899  11.060
  547   1HB   GLU  50          2HB       GLU  50  -5.104  -2.483   9.780
  548   2HB   GLU  50          3HB       GLU  50  -4.119  -2.229   8.326
  549   1HG   GLU  50          2HG       GLU  50  -4.839  -4.477   8.205
  550   2HG   GLU  50          3HG       GLU  50  -3.213  -4.659   8.891
  551    QB   GLU  50           QB       GLU  50  -4.612  -2.356   9.053
  552    QG   GLU  50           QG       GLU  50  -4.026  -4.568   8.548
  553    H    CYS  51           HN       CYS  51  -1.917  -0.666   8.440
  554    HA   CYS  51           HA       CYS  51   0.163  -2.360   7.450
  555   1HB   CYS  51          2HB       CYS  51  -0.487  -0.442   6.130
  556   2HB   CYS  51          3HB       CYS  51  -0.030   0.680   7.406
  557    QB   CYS  51           QB       CYS  51  -0.258   0.119   6.768
  558    NH1  ARG  52           NH2      ARG  52   4.247   5.525  12.790
  559    NH2  ARG  52           NH1      ARG  52   3.953   5.497  10.499
  560    H    ARG  52           HN       ARG  52   0.342   0.355   9.850
  561    HA   ARG  52           HA       ARG  52   3.037  -0.022  10.527
  562   1HB   ARG  52          2HB       ARG  52   1.374   1.814  11.132
  563   2HB   ARG  52          3HB       ARG  52   0.838   0.797  12.473
  564   1HG   ARG  52          2HG       ARG  52   2.905   0.952  13.581
  565   2HG   ARG  52          3HG       ARG  52   3.800   1.395  12.123
  566   1HD   ARG  52          2HD       ARG  52   1.750   3.215  13.443
  567   2HD   ARG  52          3HD       ARG  52   3.491   3.227  13.766
  568    HE   ARG  52           HE       ARG  52   2.460   3.542  10.975
  569   1HH1  ARG  52          2HH2      ARG  52   4.001   5.179  13.705
  570   2HH1  ARG  52          1HH2      ARG  52   4.842   6.336  12.720
  571   1HH2  ARG  52          2HH1      ARG  52   3.479   5.170   9.673
  572   2HH2  ARG  52          1HH1      ARG  52   4.667   6.221  10.378
  573    QB   ARG  52           QB       ARG  52   1.106   1.306  11.802
  574    QG   ARG  52           QG       ARG  52   3.353   1.173  12.852
  575    QD   ARG  52           QD       ARG  52   2.620   3.221  13.604
  576    QH1  ARG  52           QH2      ARG  52   4.421   5.758  13.213
  577    QH2  ARG  52           QH1      ARG  52   4.073   5.696  10.025
  578    NH1  ARG  53           NH2      ARG  53  -1.659  -2.555  17.969
  579    NH2  ARG  53           NH1      ARG  53   0.377  -1.430  17.783
  580    H    ARG  53           HN       ARG  53   0.186  -1.682  11.968
  581    HA   ARG  53           HA       ARG  53   1.779  -3.156  13.824
  582   1HB   ARG  53          2HB       ARG  53  -0.695  -2.753  13.950
  583   2HB   ARG  53          3HB       ARG  53  -0.921  -3.949  12.676
  584   1HG   ARG  53          2HG       ARG  53  -0.755  -5.658  14.169
  585   2HG   ARG  53          3HG       ARG  53   0.813  -5.091  14.754
  586   1HD   ARG  53          2HD       ARG  53  -1.860  -4.019  15.671
  587   2HD   ARG  53          3HD       ARG  53  -0.845  -5.193  16.552
  588    HE   ARG  53           HE       ARG  53   0.916  -3.108  16.119
  589   1HH1  ARG  53          2HH2      ARG  53  -2.236  -3.327  17.673
  590   2HH1  ARG  53          1HH2      ARG  53  -2.002  -1.947  18.695
  591   1HH2  ARG  53          2HH1      ARG  53   1.296  -1.428  17.311
  592   2HH2  ARG  53          1HH1      ARG  53   0.154  -0.734  18.473
  593    QB   ARG  53           QB       ARG  53  -0.808  -3.351  13.313
  594    QG   ARG  53           QG       ARG  53   0.029  -5.374  14.462
  595    QD   ARG  53           QD       ARG  53  -1.353  -4.606  16.111
  596    QH1  ARG  53           QH2      ARG  53  -2.119  -2.637  18.184
  597    QH2  ARG  53           QH1      ARG  53   0.725  -1.081  17.892
  598    H    THR  54           HN       THR  54   0.869  -3.835  10.431
  599    HA   THR  54           HA       THR  54   1.681  -6.592  10.535
  600    HB   THR  54           HB       THR  54   1.430  -4.716   8.143
  601    HG1  THR  54          1HG       THR  54  -0.532  -5.032   9.277
  602   1HG2  THR  54          3HG2      THR  54   1.621  -7.748   8.368
  603   2HG2  THR  54          1HG2      THR  54   1.077  -6.893   6.921
  604   3HG2  THR  54          2HG2      THR  54   2.744  -6.682   7.488
  605    QG2  THR  54           QG2      THR  54   1.814  -7.107   7.593
  606    H    CYS  55           HN       CYS  55   3.366  -3.585   9.535
  607    HA   CYS  55           HA       CYS  55   5.739  -5.251   8.877
  608   1HB   CYS  55          2HB       CYS  55   5.109  -2.420   8.095
  609   2HB   CYS  55          3HB       CYS  55   6.600  -3.304   7.745
  610    QB   CYS  55           QB       CYS  55   5.855  -2.862   7.920
  611    H    VAL  56           HN       VAL  56   4.781  -2.827  11.131
  612    HA   VAL  56           HA       VAL  56   7.385  -2.722  12.553
  613    HB   VAL  56           HB       VAL  56   5.145  -0.649  12.675
  614   1HG1  VAL  56          1HG1      VAL  56   8.172  -0.506  13.067
  615   2HG1  VAL  56          2HG1      VAL  56   7.094   0.901  13.046
  616   3HG1  VAL  56          3HG1      VAL  56   6.944  -0.274  14.329
  617   1HG2  VAL  56          1HG2      VAL  56   7.320  -0.760  10.566
  618   2HG2  VAL  56          2HG2      VAL  56   5.559  -0.749  10.299
  619   3HG2  VAL  56          3HG2      VAL  56   6.349   0.677  10.947
  620    QG1  VAL  56           QG1      VAL  56   7.403   0.041  13.481
  621    QG2  VAL  56           QG2      VAL  56   6.409  -0.277  10.604
  622    QQG  VAL  56           QQG      VAL  56   6.906  -0.118  12.042
  623    H    GLY  57           HN       GLY  57   6.130  -1.752  14.948
  624   1HA   GLY  57          1HA       GLY  57   4.278  -3.928  15.832
  625   2HA   GLY  57          2HA       GLY  57   5.092  -2.750  16.873
  626    QA   GLY  57           QA       GLY  57   4.685  -3.339  16.352
   
  Start of MODEL           4
 Raw file had  626 H/Q atoms
  Start of MODEL    4
    1    H    ALA   1           HN       ALA   1   7.399  -7.436  11.343
    2    HA   ALA   1           HA       ALA   1   6.576  -6.724   9.101
    3   1HB   ALA   1          2HB       ALA   1   8.918  -6.313   9.753
    4   2HB   ALA   1          3HB       ALA   1   9.358  -7.913   9.103
    5   3HB   ALA   1          1HB       ALA   1   8.734  -6.641   8.025
    6    QB   ALA   1           QB       ALA   1   9.003  -6.956   8.961
    7    H    ALA   2           HN       ALA   2   6.868  -7.380   6.686
    8    HA   ALA   2           HA       ALA   2   6.349 -10.274   6.279
    9   1HB   ALA   2          3HB       ALA   2   4.520  -7.974   5.436
   10   2HB   ALA   2          1HB       ALA   2   4.377  -9.660   4.897
   11   3HB   ALA   2          2HB       ALA   2   4.132  -9.257   6.607
   12    QB   ALA   2           QB       ALA   2   4.343  -8.964   5.647
   13    H    LYS   3           HN       LYS   3   6.697 -10.926   4.104
   14    HA   LYS   3           HA       LYS   3   8.931  -9.783   2.884
   15   1HB   LYS   3          2HB       LYS   3   7.747 -12.131   2.687
   16   2HB   LYS   3          3HB       LYS   3   6.893 -11.435   1.326
   17   1HG   LYS   3          2HG       LYS   3   9.027 -10.951   0.192
   18   2HG   LYS   3          3HG       LYS   3   9.924 -11.567   1.604
   19   1HD   LYS   3          2HD       LYS   3   8.900 -13.779   1.359
   20   2HD   LYS   3          3HD       LYS   3   7.982 -13.257  -0.050
   21   1HE   LYS   3          2HE       LYS   3  11.046 -13.222   0.098
   22   2HE   LYS   3          3HE       LYS   3  10.122 -14.623  -0.449
   23   1HZ   LYS   3          3HZ       LYS   3  10.020 -11.983  -1.747
   24   2HZ   LYS   3          1HZ       LYS   3  10.860 -13.290  -2.279
   25   3HZ   LYS   3          2HZ       LYS   3   9.224 -13.341  -2.228
   26    QB   LYS   3           QB       LYS   3   7.320 -11.783   2.007
   27    QG   LYS   3           QG       LYS   3   9.476 -11.259   0.898
   28    QD   LYS   3           QD       LYS   3   8.441 -13.518   0.654
   29    QE   LYS   3           QE       LYS   3  10.584 -13.923  -0.175
   30    QZ   LYS   3           QZ       LYS   3  10.035 -12.871  -2.085
   31    OH   TYR   4           OH       TYR   4   0.789  -8.976   5.227
   32    H    TYR   4           HN       TYR   4   5.555  -9.703   1.848
   33    HA   TYR   4           HA       TYR   4   5.810  -8.039  -0.379
   34   1HB   TYR   4          2HB       TYR   4   3.397  -7.626  -0.097
   35   2HB   TYR   4          3HB       TYR   4   3.877  -9.324  -0.026
   36    HD1  TYR   4           HD2      TYR   4   2.774  -6.411   2.049
   37    HD2  TYR   4           HD1      TYR   4   3.224 -10.697   1.795
   38    HE1  TYR   4           HE2      TYR   4   1.398  -6.691   4.083
   39    HE2  TYR   4           HE1      TYR   4   1.838 -10.962   3.821
   40    HH   TYR   4           HH       TYR   4   0.576  -9.886   5.442
   41    QB   TYR   4           QB       TYR   4   3.637  -8.475  -0.062
   42    QR   TYR   4           QR       TYR   4   2.309  -8.690   2.937
   43    H    CYS   5           HN       CYS   5   6.017  -7.101   2.937
   44    HA   CYS   5           HA       CYS   5   5.164  -4.386   2.793
   45   1HB   CYS   5          2HB       CYS   5   5.857  -5.593   4.862
   46   2HB   CYS   5          3HB       CYS   5   7.549  -5.427   4.368
   47    QB   CYS   5           QB       CYS   5   6.703  -5.510   4.615
   48    H    LYS   6           HN       LYS   6   7.977  -6.001   1.520
   49    HA   LYS   6           HA       LYS   6   9.505  -3.614   0.978
   50   1HB   LYS   6          2HB       LYS   6   9.794  -6.385  -0.223
   51   2HB   LYS   6          3HB       LYS   6  10.929  -5.032  -0.370
   52   1HG   LYS   6          2HG       LYS   6  10.774  -4.996   2.272
   53   2HG   LYS   6          3HG       LYS   6  10.246  -6.652   2.107
   54   1HD   LYS   6          2HD       LYS   6  12.801  -5.460   0.880
   55   2HD   LYS   6          3HD       LYS   6  12.777  -6.226   2.461
   56   1HE   LYS   6          2HE       LYS   6  11.978  -7.635  -0.136
   57   2HE   LYS   6          3HE       LYS   6  13.597  -7.694   0.578
   58   1HZ   LYS   6          3HZ       LYS   6  12.645  -8.664   2.552
   59   2HZ   LYS   6          1HZ       LYS   6  11.139  -8.642   1.881
   60   3HZ   LYS   6          2HZ       LYS   6  12.328  -9.585   1.231
   61    QB   LYS   6           QB       LYS   6  10.362  -5.708  -0.296
   62    QG   LYS   6           QG       LYS   6  10.510  -5.824   2.189
   63    QD   LYS   6           QD       LYS   6  12.789  -5.843   1.671
   64    QE   LYS   6           QE       LYS   6  12.788  -7.665   0.221
   65    QZ   LYS   6           QZ       LYS   6  12.037  -8.964   1.888
   66    H    LEU   7           HN       LEU   7   6.700  -4.855  -0.639
   67    HA   LEU   7           HA       LEU   7   7.489  -4.172  -3.306
   68   1HB   LEU   7          2HB       LEU   7   4.765  -4.484  -2.012
   69   2HB   LEU   7          3HB       LEU   7   5.027  -4.318  -3.743
   70    HG   LEU   7           HG       LEU   7   6.408  -6.540  -2.208
   71   1HD1  LEU   7          3HD1      LEU   7   3.752  -6.525  -2.026
   72   2HD1  LEU   7          1HD1      LEU   7   3.879  -7.104  -3.704
   73   3HD1  LEU   7          2HD1      LEU   7   4.646  -8.013  -2.418
   74   1HD2  LEU   7          3HD2      LEU   7   5.497  -6.189  -5.103
   75   2HD2  LEU   7          1HD2      LEU   7   7.174  -6.082  -4.523
   76   3HD2  LEU   7          2HD2      LEU   7   6.299  -7.628  -4.447
   77    QB   LEU   7           QB       LEU   7   4.896  -4.401  -2.877
   78    QD1  LEU   7           QD1      LEU   7   4.092  -7.214  -2.716
   79    QD2  LEU   7           QD2      LEU   7   6.323  -6.633  -4.691
   80    QQD  LEU   7           QQD      LEU   7   5.208  -6.924  -3.703
   81    HA   PRO   8           HA       PRO   8   7.087   0.211  -2.810
   82   1HB   PRO   8          2HB       PRO   8   7.220   1.101  -5.386
   83   2HB   PRO   8          3HB       PRO   8   8.559   0.188  -4.639
   84   1HG   PRO   8          2HG       PRO   8   6.320  -0.922  -6.359
   85   2HG   PRO   8          3HG       PRO   8   8.082  -1.103  -6.622
   86   1HD   PRO   8          2HD       PRO   8   6.634  -3.012  -5.303
   87   2HD   PRO   8          3HD       PRO   8   8.292  -2.577  -4.774
   88    QB   PRO   8           QB       PRO   8   7.889   0.645  -5.012
   89    QG   PRO   8           QG       PRO   8   7.201  -1.013  -6.491
   90    QD   PRO   8           QD       PRO   8   7.463  -2.795  -5.038
   91    H    LEU   9           HN       LEU   9   5.851   2.129  -4.012
   92    HA   LEU   9           HA       LEU   9   3.057   1.963  -3.601
   93   1HB   LEU   9          2HB       LEU   9   4.405   4.065  -3.644
   94   2HB   LEU   9          3HB       LEU   9   4.696   3.849  -5.364
   95    HG   LEU   9           HG       LEU   9   2.380   4.220  -5.905
   96   1HD1  LEU   9          2HD1      LEU   9   1.882   4.130  -2.903
   97   2HD1  LEU   9          3HD1      LEU   9   0.760   4.881  -4.019
   98   3HD1  LEU   9          1HD1      LEU   9   1.111   3.153  -4.151
   99   1HD2  LEU   9          3HD2      LEU   9   3.810   6.211  -5.486
  100   2HD2  LEU   9          1HD2      LEU   9   2.109   6.526  -5.109
  101   3HD2  LEU   9          2HD2      LEU   9   3.264   6.238  -3.795
  102    QB   LEU   9           QB       LEU   9   4.551   3.957  -4.504
  103    QD1  LEU   9           QD1      LEU   9   1.251   4.055  -3.691
  104    QD2  LEU   9           QD2      LEU   9   3.061   6.325  -4.797
  105    QQD  LEU   9           QQD      LEU   9   2.156   5.190  -4.244
  106    NH1  ARG  10           NH2      ARG  10   1.315  -4.491  -9.633
  107    NH2  ARG  10           NH1      ARG  10   3.347  -5.516 -10.025
  108    H    ARG  10           HN       ARG  10   1.482   1.134  -4.906
  109    HA   ARG  10           HA       ARG  10   2.171   0.285  -7.680
  110   1HB   ARG  10          2HB       ARG  10   2.820  -1.353  -5.846
  111   2HB   ARG  10          3HB       ARG  10   1.107  -1.495  -5.449
  112   1HG   ARG  10          2HG       ARG  10   1.866  -3.334  -6.859
  113   2HG   ARG  10          3HG       ARG  10   0.662  -2.355  -7.702
  114   1HD   ARG  10          2HD       ARG  10   2.202  -1.664  -9.332
  115   2HD   ARG  10          3HD       ARG  10   3.509  -1.566  -8.155
  116    HE   ARG  10           HE       ARG  10   4.291  -3.488  -8.904
  117   1HH1  ARG  10          2HH2      ARG  10   0.797  -3.805  -9.105
  118   2HH1  ARG  10          1HH2      ARG  10   0.812  -5.310  -9.937
  119   1HH2  ARG  10          2HH1      ARG  10   4.355  -5.532  -9.964
  120   2HH2  ARG  10          1HH1      ARG  10   2.883  -6.304 -10.453
  121    QB   ARG  10           QB       ARG  10   1.963  -1.424  -5.647
  122    QG   ARG  10           QG       ARG  10   1.264  -2.844  -7.280
  123    QD   ARG  10           QD       ARG  10   2.855  -1.615  -8.744
  124    QH1  ARG  10           QH2      ARG  10   0.805  -4.558  -9.521
  125    QH2  ARG  10           QH1      ARG  10   3.619  -5.918 -10.209
  126    H    ILE  11           HN       ILE  11   0.708   2.039  -8.169
  127    HA   ILE  11           HA       ILE  11  -1.888   2.149  -7.072
  128    HB   ILE  11           HB       ILE  11  -1.011   3.329  -9.729
  129   1HG1  ILE  11          2HG1      ILE  11   0.712   4.084  -8.249
  130   2HG1  ILE  11          3HG1      ILE  11  -0.505   5.367  -8.269
  131   1HG2  ILE  11          1HG2      ILE  11  -3.150   4.005  -7.665
  132   2HG2  ILE  11          2HG2      ILE  11  -2.650   5.145  -8.928
  133   3HG2  ILE  11          3HG2      ILE  11  -3.377   3.591  -9.362
  134   1HD1  ILE  11          2HD1      ILE  11  -1.522   4.547  -6.276
  135   2HD1  ILE  11          3HD1      ILE  11  -0.145   3.439  -6.033
  136   3HD1  ILE  11          1HD1      ILE  11   0.108   5.207  -6.092
  137    QG1  ILE  11           QG1      ILE  11   0.103   4.726  -8.259
  138    QG2  ILE  11           QG2      ILE  11  -3.059   4.247  -8.652
  139    QD1  ILE  11           QD1      ILE  11  -0.519   4.397  -6.134
  140    H    GLY  12           HN       GLY  12  -0.721   0.694 -10.070
  141   1HA   GLY  12          1HA       GLY  12  -1.570  -1.143 -11.156
  142   2HA   GLY  12          2HA       GLY  12  -3.089  -1.078 -10.265
  143    QA   GLY  12           QA       GLY  12  -2.330  -1.111 -10.710
  144    HA   PRO  13           HA       PRO  13  -3.112   1.428 -14.353
  145   1HB   PRO  13          2HB       PRO  13  -3.281  -0.291 -16.448
  146   2HB   PRO  13          3HB       PRO  13  -1.767  -0.101 -15.530
  147   1HG   PRO  13          2HG       PRO  13  -3.904  -2.215 -15.073
  148   2HG   PRO  13          3HG       PRO  13  -2.165  -2.485 -15.411
  149   1HD   PRO  13          2HD       PRO  13  -3.057  -2.404 -12.850
  150   2HD   PRO  13          3HD       PRO  13  -1.533  -1.597 -13.312
  151    QB   PRO  13           QB       PRO  13  -2.524  -0.196 -15.989
  152    QG   PRO  13           QG       PRO  13  -3.035  -2.350 -15.242
  153    QD   PRO  13           QD       PRO  13  -2.295  -2.001 -13.081
  154    H    CYS  14           HN       CYS  14  -5.339   0.839 -12.585
  155    HA   CYS  14           HA       CYS  14  -7.610   0.338 -14.487
  156   1HB   CYS  14          2HB       CYS  14  -7.186  -0.147 -11.678
  157   2HB   CYS  14          3HB       CYS  14  -8.638   0.795 -11.913
  158    QB   CYS  14           QB       CYS  14  -7.912   0.324 -11.796
  159    H    LYS  15           HN       LYS  15  -9.567   1.802 -14.000
  160    HA   LYS  15           HA       LYS  15  -8.682   4.634 -14.344
  161   1HB   LYS  15          2HB       LYS  15 -10.459   4.838 -15.960
  162   2HB   LYS  15          3HB       LYS  15  -9.215   3.709 -16.491
  163   1HG   LYS  15          2HG       LYS  15 -10.533   1.808 -16.211
  164   2HG   LYS  15          3HG       LYS  15 -11.662   2.558 -15.101
  165   1HD   LYS  15          2HD       LYS  15 -11.436   3.014 -18.101
  166   2HD   LYS  15          3HD       LYS  15 -12.742   2.210 -17.230
  167   1HE   LYS  15          2HE       LYS  15 -12.092   5.185 -17.359
  168   2HE   LYS  15          3HE       LYS  15 -13.573   4.364 -17.822
  169   1HZ   LYS  15          3HZ       LYS  15 -12.594   4.643 -15.041
  170   2HZ   LYS  15          1HZ       LYS  15 -13.780   5.541 -15.736
  171   3HZ   LYS  15          2HZ       LYS  15 -14.003   3.930 -15.497
  172    QB   LYS  15           QB       LYS  15  -9.837   4.273 -16.225
  173    QG   LYS  15           QG       LYS  15 -11.098   2.183 -15.656
  174    QD   LYS  15           QD       LYS  15 -12.089   2.612 -17.666
  175    QE   LYS  15           QE       LYS  15 -12.833   4.775 -17.590
  176    QZ   LYS  15           QZ       LYS  15 -13.459   4.705 -15.425
  177    NH1  ARG  16           NH2      ARG  16 -15.518   1.207 -10.052
  178    NH2  ARG  16           NH1      ARG  16 -16.829   3.114  -9.862
  179    H    ARG  16           HN       ARG  16  -9.032   4.019 -12.075
  180    HA   ARG  16           HA       ARG  16 -11.521   4.869 -10.756
  181   1HB   ARG  16          2HB       ARG  16 -10.304   2.110 -11.041
  182   2HB   ARG  16          3HB       ARG  16 -10.781   2.570  -9.420
  183   1HG   ARG  16          2HG       ARG  16 -12.789   3.033 -11.634
  184   2HG   ARG  16          3HG       ARG  16 -12.490   1.389 -10.992
  185   1HD   ARG  16          2HD       ARG  16 -13.135   1.872  -8.807
  186   2HD   ARG  16          3HD       ARG  16 -12.658   3.547  -8.926
  187    HE   ARG  16           HE       ARG  16 -14.621   4.214  -9.328
  188   1HH1  ARG  16          2HH2      ARG  16 -14.601   0.788 -10.031
  189   2HH1  ARG  16          1HH2      ARG  16 -16.324   0.617 -10.193
  190   1HH2  ARG  16          2HH1      ARG  16 -16.915   4.108  -9.706
  191   2HH2  ARG  16          1HH1      ARG  16 -17.675   2.584 -10.018
  192    QB   ARG  16           QB       ARG  16 -10.542   2.340 -10.231
  193    QG   ARG  16           QG       ARG  16 -12.639   2.211 -11.313
  194    QD   ARG  16           QD       ARG  16 -12.896   2.709  -8.866
  195    QH1  ARG  16           QH2      ARG  16 -15.462   0.702 -10.112
  196    QH2  ARG  16           QH1      ARG  16 -17.295   3.346  -9.862
  197    H    LYS  17           HN       LYS  17 -10.991   4.803  -8.326
  198    HA   LYS  17           HA       LYS  17  -8.243   5.160  -7.390
  199   1HB   LYS  17          2HB       LYS  17 -10.038   7.605  -7.562
  200   2HB   LYS  17          3HB       LYS  17  -8.579   7.440  -6.588
  201   1HG   LYS  17          2HG       LYS  17  -7.328   6.947  -8.804
  202   2HG   LYS  17          3HG       LYS  17  -8.807   7.475  -9.607
  203   1HD   LYS  17          2HD       LYS  17  -7.546   9.455  -9.568
  204   2HD   LYS  17          3HD       LYS  17  -8.681   9.629  -8.233
  205   1HE   LYS  17          2HE       LYS  17  -6.560  10.421  -7.451
  206   2HE   LYS  17          3HE       LYS  17  -6.896   8.904  -6.633
  207   1HZ   LYS  17          3HZ       LYS  17  -5.102   9.242  -8.940
  208   2HZ   LYS  17          1HZ       LYS  17  -4.655   9.037  -7.366
  209   3HZ   LYS  17          2HZ       LYS  17  -5.403   7.813  -8.165
  210    QB   LYS  17           QB       LYS  17  -9.309   7.523  -7.075
  211    QG   LYS  17           QG       LYS  17  -8.068   7.211  -9.205
  212    QD   LYS  17           QD       LYS  17  -8.114   9.542  -8.900
  213    QE   LYS  17           QE       LYS  17  -6.728   9.662  -7.042
  214    QZ   LYS  17           QZ       LYS  17  -5.053   8.698  -8.157
  215    H    ILE  18           HN       ILE  18  -8.420   4.237  -5.370
  216    HA   ILE  18           HA       ILE  18 -10.720   4.910  -3.621
  217    HB   ILE  18           HB       ILE  18  -9.352   2.197  -3.963
  218   1HG1  ILE  18          2HG1      ILE  18 -12.053   1.774  -4.314
  219   2HG1  ILE  18          3HG1      ILE  18 -11.871   3.373  -5.033
  220   1HG2  ILE  18          2HG2      ILE  18 -11.572   3.035  -2.060
  221   2HG2  ILE  18          3HG2      ILE  18 -10.989   1.377  -2.313
  222   3HG2  ILE  18          1HG2      ILE  18  -9.918   2.577  -1.604
  223   1HD1  ILE  18          3HD1      ILE  18 -10.263   0.881  -5.790
  224   2HD1  ILE  18          1HD1      ILE  18 -11.624   1.552  -6.701
  225   3HD1  ILE  18          2HD1      ILE  18 -10.123   2.478  -6.556
  226    QG1  ILE  18           QG1      ILE  18 -11.962   2.574  -4.673
  227    QG2  ILE  18           QG2      ILE  18 -10.826   2.330  -1.992
  228    QD1  ILE  18           QD1      ILE  18 -10.670   1.637  -6.349
  229    HA   PRO  19           HA       PRO  19  -7.088   6.128  -1.220
  230   1HB   PRO  19          2HB       PRO  19  -8.236   6.676   1.213
  231   2HB   PRO  19          3HB       PRO  19  -8.322   7.748  -0.214
  232   1HG   PRO  19          2HG       PRO  19 -10.382   5.724   0.692
  233   2HG   PRO  19          3HG       PRO  19 -10.652   7.437   0.249
  234   1HD   PRO  19          2HD       PRO  19 -11.091   5.451  -1.516
  235   2HD   PRO  19          3HD       PRO  19 -10.312   6.969  -2.070
  236    QB   PRO  19           QB       PRO  19  -8.279   7.212   0.499
  237    QG   PRO  19           QG       PRO  19 -10.517   6.580   0.471
  238    QD   PRO  19           QD       PRO  19 -10.702   6.210  -1.793
  239    H    SER  20           HN       SER  20  -5.607   4.900  -0.111
  240    HA   SER  20           HA       SER  20  -6.382   2.797   1.765
  241   1HB   SER  20          2HB       SER  20  -4.557   2.138  -0.599
  242   2HB   SER  20          3HB       SER  20  -5.085   1.051   0.687
  243    HG   SER  20           HG       SER  20  -6.966   2.300  -0.998
  244    QB   SER  20           QB       SER  20  -4.821   1.594   0.044
  245    H    PHE  21           HN       PHE  21  -4.080   1.803   2.478
  246    HA   PHE  21           HA       PHE  21  -1.970   3.879   2.502
  247   1HB   PHE  21          2HB       PHE  21  -2.810   2.011   4.766
  248   2HB   PHE  21          3HB       PHE  21  -1.353   2.993   4.778
  249    HD1  PHE  21          2HD       PHE  21  -5.092   3.187   4.700
  250    HD2  PHE  21          1HD       PHE  21  -1.411   5.294   5.442
  251    HE1  PHE  21          2HE       PHE  21  -6.365   5.041   5.733
  252    HE2  PHE  21          1HE       PHE  21  -2.681   7.138   6.507
  253    HZ   PHE  21           HZ       PHE  21  -5.159   7.020   6.650
  254    QB   PHE  21           QB       PHE  21  -2.081   2.502   4.772
  255    QR   PHE  21           QR       PHE  21  -3.887   5.165   5.595
  256    OH   TYR  22           OH       TYR  22   4.523   5.284  -1.409
  257    H    TYR  22           HN       TYR  22   0.201   2.979   2.487
  258    HA   TYR  22           HA       TYR  22   0.509   0.080   2.209
  259   1HB   TYR  22          2HB       TYR  22   1.650   0.171   0.229
  260   2HB   TYR  22          3HB       TYR  22   0.205   1.080  -0.146
  261    HD1  TYR  22           HD2      TYR  22   0.665   3.808   0.467
  262    HD2  TYR  22           HD1      TYR  22   3.624   0.887  -0.699
  263    HE1  TYR  22           HE2      TYR  22   2.139   5.613  -0.301
  264    HE2  TYR  22           HE1      TYR  22   5.090   2.704  -1.491
  265    HH   TYR  22           HH       TYR  22   4.081   6.131  -1.307
  266    QB   TYR  22           QB       TYR  22   0.928   0.626   0.042
  267    QR   TYR  22           QR       TYR  22   2.879   3.253  -0.506
  268    OH   TYR  23           OH       TYR  23   9.164   0.103   7.694
  269    H    TYR  23           HN       TYR  23   2.959  -0.348   2.161
  270    HA   TYR  23           HA       TYR  23   4.342   1.572   3.987
  271   1HB   TYR  23          2HB       TYR  23   3.973  -0.845   4.640
  272   2HB   TYR  23          3HB       TYR  23   5.111  -1.279   3.382
  273    HD1  TYR  23           HD1      TYR  23   7.490  -0.433   3.515
  274    HD2  TYR  23           HD2      TYR  23   4.724  -0.193   6.779
  275    HE1  TYR  23           HE1      TYR  23   9.358  -0.433   5.142
  276    HE2  TYR  23           HE2      TYR  23   6.586   0.220   8.352
  277    HH   TYR  23           HH       TYR  23   9.199   0.982   8.091
  278    QB   TYR  23           QB       TYR  23   4.542  -1.062   4.011
  279    QR   TYR  23           QR       TYR  23   7.040  -0.210   5.947
  280    H    LYS  24           HN       LYS  24   5.699   2.991   2.966
  281    HA   LYS  24           HA       LYS  24   6.644   2.352   0.238
  282   1HB   LYS  24          2HB       LYS  24   5.786   4.572   0.861
  283   2HB   LYS  24          3HB       LYS  24   7.132   4.801   1.981
  284   1HG   LYS  24          2HG       LYS  24   8.724   4.543   0.050
  285   2HG   LYS  24          3HG       LYS  24   7.321   4.319  -1.024
  286   1HD   LYS  24          2HD       LYS  24   6.523   6.626  -0.345
  287   2HD   LYS  24          3HD       LYS  24   7.963   6.797   0.657
  288   1HE   LYS  24          2HE       LYS  24   8.311   7.980  -1.408
  289   2HE   LYS  24          3HE       LYS  24   9.399   6.585  -1.373
  290   1HZ   LYS  24          3HZ       LYS  24   6.797   6.663  -2.778
  291   2HZ   LYS  24          1HZ       LYS  24   8.254   6.911  -3.501
  292   3HZ   LYS  24          2HZ       LYS  24   7.896   5.445  -2.845
  293    QB   LYS  24           QB       LYS  24   6.459   4.687   1.421
  294    QG   LYS  24           QG       LYS  24   8.023   4.431  -0.487
  295    QD   LYS  24           QD       LYS  24   7.243   6.711   0.156
  296    QE   LYS  24           QE       LYS  24   8.855   7.282  -1.390
  297    QZ   LYS  24           QZ       LYS  24   7.649   6.340  -3.041
  298    CH2  TRP  25           CH2      TRP  25  11.920  -3.978   5.014
  299    H    TRP  25           HN       TRP  25   8.092   0.635   0.510
  300    HA   TRP  25           HA       TRP  25   9.767   0.265   2.674
  301   1HB   TRP  25          2HB       TRP  25   9.191  -1.420   0.967
  302   2HB   TRP  25          3HB       TRP  25  10.315  -0.665  -0.165
  303    HD1  TRP  25           HD1      TRP  25  12.789  -1.407  -0.008
  304    HE1  TRP  25           HE1      TRP  25  14.205  -2.819   1.561
  305    HE3  TRP  25           HE3      TRP  25   9.299  -2.289   3.622
  306    HZ2  TRP  25           HZ2      TRP  25  13.881  -4.166   4.118
  307    HZ3  TRP  25           HZ3      TRP  25   9.878  -3.632   5.618
  308    HH2  TRP  25           HH2      TRP  25  12.147  -4.609   5.861
  309    QB   TRP  25           QB       TRP  25   9.753  -1.043   0.401
  310    H    LYS  26           HN       LYS  26  10.516   2.021  -0.328
  311    HA   LYS  26           HA       LYS  26  13.262   2.424   0.079
  312   1HB   LYS  26          2HB       LYS  26  11.810   3.009  -1.943
  313   2HB   LYS  26          3HB       LYS  26  11.338   4.465  -1.061
  314   1HG   LYS  26          2HG       LYS  26  14.027   4.712  -0.804
  315   2HG   LYS  26          3HG       LYS  26  14.054   3.684  -2.222
  316   1HD   LYS  26          2HD       LYS  26  12.445   6.277  -2.005
  317   2HD   LYS  26          3HD       LYS  26  14.133   6.292  -2.460
  318   1HE   LYS  26          2HE       LYS  26  12.040   4.707  -4.027
  319   2HE   LYS  26          3HE       LYS  26  12.433   6.402  -4.358
  320   1HZ   LYS  26          2HZ       LYS  26  14.714   5.759  -4.743
  321   2HZ   LYS  26          3HZ       LYS  26  14.341   4.169  -4.527
  322   3HZ   LYS  26          1HZ       LYS  26  13.687   5.011  -5.778
  323    QB   LYS  26           QB       LYS  26  11.574   3.737  -1.502
  324    QG   LYS  26           QG       LYS  26  14.041   4.198  -1.513
  325    QD   LYS  26           QD       LYS  26  13.289   6.285  -2.232
  326    QE   LYS  26           QE       LYS  26  12.236   5.555  -4.192
  327    QZ   LYS  26           QZ       LYS  26  14.247   4.980  -5.016
  328    H    ALA  27           HN       ALA  27  10.480   4.053   1.600
  329    HA   ALA  27           HA       ALA  27  12.236   5.977   3.041
  330   1HB   ALA  27          1HB       ALA  27  10.235   6.845   1.853
  331   2HB   ALA  27          2HB       ALA  27   9.204   5.792   2.854
  332   3HB   ALA  27          3HB       ALA  27  10.148   7.093   3.610
  333    QB   ALA  27           QB       ALA  27   9.862   6.577   2.772
  334    H    LYS  28           HN       LYS  28  10.549   3.007   3.375
  335    HA   LYS  28           HA       LYS  28  10.237   1.543   4.942
  336   1HB   LYS  28          2HB       LYS  28  12.328   3.019   6.581
  337   2HB   LYS  28          3HB       LYS  28  11.670   1.410   6.926
  338   1HG   LYS  28          2HG       LYS  28  12.466   0.656   4.657
  339   2HG   LYS  28          3HG       LYS  28  13.255   2.218   4.460
  340   1HD   LYS  28          2HD       LYS  28  15.038   1.544   5.612
  341   2HD   LYS  28          3HD       LYS  28  14.068   1.198   7.036
  342   1HE   LYS  28          2HE       LYS  28  14.507  -0.708   4.675
  343   2HE   LYS  28          3HE       LYS  28  15.395  -0.768   6.203
  344   1HZ   LYS  28          3HZ       LYS  28  12.482  -1.145   5.936
  345   2HZ   LYS  28          1HZ       LYS  28  13.590  -2.334   6.163
  346   3HZ   LYS  28          2HZ       LYS  28  13.336  -1.214   7.341
  347    QB   LYS  28           QB       LYS  28  11.999   2.214   6.753
  348    QG   LYS  28           QG       LYS  28  12.860   1.437   4.558
  349    QD   LYS  28           QD       LYS  28  14.553   1.371   6.324
  350    QE   LYS  28           QE       LYS  28  14.951  -0.738   5.439
  351    QZ   LYS  28           QZ       LYS  28  13.136  -1.564   6.480
  352    H    GLN  29           HN       GLN  29   8.225   3.387   4.790
  353    HA   GLN  29           HA       GLN  29   7.171   3.180   7.518
  354   1HB   GLN  29          2HB       GLN  29   6.523   5.588   7.589
  355   2HB   GLN  29          3HB       GLN  29   8.265   5.301   7.748
  356   1HG   GLN  29          2HG       GLN  29   8.675   5.962   5.461
  357   2HG   GLN  29          3HG       GLN  29   6.942   6.071   5.114
  358   1HE2  GLN  29          2HE2      GLN  29   8.675   9.407   6.226
  359   2HE2  GLN  29          1HE2      GLN  29   9.462   8.066   5.415
  360    QB   GLN  29           QB       GLN  29   7.394   5.445   7.669
  361    QG   GLN  29           QG       GLN  29   7.809   6.017   5.288
  362    QE2  GLN  29           QE2      GLN  29   9.068   8.737   5.821
  363    H    CYS  30           HN       CYS  30   4.922   3.719   7.708
  364    HA   CYS  30           HA       CYS  30   3.361   2.820   5.406
  365   1HB   CYS  30          2HB       CYS  30   2.567   3.642   8.207
  366   2HB   CYS  30          3HB       CYS  30   1.464   3.017   6.976
  367    QB   CYS  30           QB       CYS  30   2.015   3.329   7.592
  368    H    LEU  31           HN       LEU  31   2.123   4.109   4.094
  369    HA   LEU  31           HA       LEU  31   1.739   6.979   4.763
  370   1HB   LEU  31          2HB       LEU  31   2.725   5.863   2.108
  371   2HB   LEU  31          3HB       LEU  31   2.401   7.561   2.447
  372    HG   LEU  31           HG       LEU  31   4.650   5.877   3.635
  373   1HD1  LEU  31          2HD1      LEU  31   4.783   6.509   1.204
  374   2HD1  LEU  31          3HD1      LEU  31   4.715   8.211   1.676
  375   3HD1  LEU  31          1HD1      LEU  31   6.080   7.202   2.206
  376   1HD2  LEU  31          1HD2      LEU  31   4.003   8.849   3.951
  377   2HD2  LEU  31          2HD2      LEU  31   4.024   7.652   5.254
  378   3HD2  LEU  31          3HD2      LEU  31   5.529   8.078   4.439
  379    QB   LEU  31           QB       LEU  31   2.563   6.712   2.278
  380    QD1  LEU  31           QD1      LEU  31   5.193   7.307   1.695
  381    QD2  LEU  31           QD2      LEU  31   4.519   8.193   4.548
  382    QQD  LEU  31           QQD      LEU  31   4.856   7.750   3.122
  383    HA   PRO  32           HA       PRO  32  -2.244   6.031   2.754
  384   1HB   PRO  32          2HB       PRO  32  -3.193   8.520   2.291
  385   2HB   PRO  32          3HB       PRO  32  -3.020   7.877   3.944
  386   1HG   PRO  32          2HG       PRO  32  -1.078   9.664   2.449
  387   2HG   PRO  32          3HG       PRO  32  -1.726   9.902   4.099
  388   1HD   PRO  32          2HD       PRO  32   0.700   8.750   3.625
  389   2HD   PRO  32          3HD       PRO  32  -0.340   8.201   4.973
  390    QB   PRO  32           QB       PRO  32  -3.106   8.199   3.118
  391    QG   PRO  32           QG       PRO  32  -1.402   9.783   3.274
  392    QD   PRO  32           QD       PRO  32   0.180   8.476   4.299
  393    H    PHE  33           HN       PHE  33  -3.215   6.187   0.561
  394    HA   PHE  33           HA       PHE  33  -2.228   7.940  -1.431
  395   1HB   PHE  33          2HB       PHE  33  -1.046   6.581  -2.876
  396   2HB   PHE  33          3HB       PHE  33  -0.351   6.139  -1.350
  397    HD1  PHE  33          2HD       PHE  33  -1.600   3.989  -0.140
  398    HD2  PHE  33          1HD       PHE  33  -1.876   4.994  -4.282
  399    HE1  PHE  33          2HE       PHE  33  -1.937   1.589  -0.704
  400    HE2  PHE  33          1HE       PHE  33  -2.134   2.581  -4.874
  401    HZ   PHE  33           HZ       PHE  33  -2.106   0.874  -3.066
  402    QB   PHE  33           QB       PHE  33  -0.699   6.360  -2.113
  403    QR   PHE  33           QR       PHE  33  -1.887   3.288  -2.500
  404    H    ASP  34           HN       ASP  34  -3.249   6.943  -3.779
  405    HA   ASP  34           HA       ASP  34  -5.932   5.833  -3.150
  406   1HB   ASP  34          2HB       ASP  34  -4.948   7.638  -5.401
  407   2HB   ASP  34          3HB       ASP  34  -6.430   6.725  -5.420
  408    QB   ASP  34           QB       ASP  34  -5.689   7.182  -5.410
  409    OH   TYR  35           OH       TYR  35  -5.239  -3.757  -6.494
  410    H    TYR  35           HN       TYR  35  -6.100   3.780  -3.798
  411    HA   TYR  35           HA       TYR  35  -4.226   2.585  -5.761
  412   1HB   TYR  35          2HB       TYR  35  -4.630   1.403  -3.676
  413   2HB   TYR  35          3HB       TYR  35  -6.374   1.540  -3.886
  414    HD1  TYR  35           HD1      TYR  35  -3.467   0.332  -5.977
  415    HD2  TYR  35           HD2      TYR  35  -7.458  -0.424  -4.528
  416    HE1  TYR  35           HE1      TYR  35  -3.601  -1.714  -7.339
  417    HE2  TYR  35           HE2      TYR  35  -7.295  -2.730  -5.515
  418    HH   TYR  35           HH       TYR  35  -5.051  -4.052  -7.397
  419    QB   TYR  35           QB       TYR  35  -5.502   1.472  -3.781
  420    QR   TYR  35           QR       TYR  35  -5.455  -1.134  -5.840
  421    H    SER  36           HN       SER  36  -5.003   1.579  -7.748
  422    HA   SER  36           HA       SER  36  -7.324   2.954  -8.824
  423   1HB   SER  36          2HB       SER  36  -6.768   1.942 -10.890
  424   2HB   SER  36          3HB       SER  36  -5.292   2.525 -10.160
  425    HG   SER  36           HG       SER  36  -4.639   0.506  -9.751
  426    QB   SER  36           QB       SER  36  -6.030   2.233 -10.525
  427    H    GLY  37           HN       GLY  37  -6.535  -0.515  -8.649
  428   1HA   GLY  37          1HA       GLY  37  -8.613  -1.830  -7.516
  429   2HA   GLY  37          2HA       GLY  37  -9.404  -1.185  -8.954
  430    QA   GLY  37           QA       GLY  37  -9.008  -1.507  -8.235
  431    H    CYS  38           HN       CYS  38  -6.568  -1.480 -10.320
  432    HA   CYS  38           HA       CYS  38  -7.103  -4.256 -11.286
  433   1HB   CYS  38          2HB       CYS  38  -5.455  -1.957 -12.344
  434   2HB   CYS  38          3HB       CYS  38  -5.367  -3.596 -13.010
  435    QB   CYS  38           QB       CYS  38  -5.411  -2.776 -12.677
  436    H    GLY  39           HN       GLY  39  -4.002  -4.160 -11.892
  437   1HA   GLY  39          1HA       GLY  39  -3.209  -6.239 -10.585
  438   2HA   GLY  39          2HA       GLY  39  -2.075  -4.916 -10.864
  439    QA   GLY  39           QA       GLY  39  -2.642  -5.577 -10.725
  440    H    GLY  40           HN       GLY  40  -2.293  -3.101  -9.076
  441   1HA   GLY  40          1HA       GLY  40  -1.571  -2.617  -6.943
  442   2HA   GLY  40          2HA       GLY  40  -2.871  -3.667  -6.355
  443    QA   GLY  40           QA       GLY  40  -2.221  -3.142  -6.649
  444    H    ASN  41           HN       ASN  41  -1.272  -4.231  -4.606
  445    HA   ASN  41           HA       ASN  41   0.001  -6.739  -5.263
  446   1HB   ASN  41          2HB       ASN  41   2.098  -6.106  -4.124
  447   2HB   ASN  41          3HB       ASN  41   1.867  -5.214  -5.611
  448   1HD2  ASN  41          2HD2      ASN  41   2.866  -2.390  -3.700
  449   2HD2  ASN  41          1HD2      ASN  41   3.259  -3.600  -4.894
  450    QB   ASN  41           QB       ASN  41   1.983  -5.660  -4.867
  451    QD2  ASN  41           QD2      ASN  41   3.062  -2.995  -4.297
  452    H    ALA  42           HN       ALA  42   1.113  -7.253  -2.796
  453    HA   ALA  42           HA       ALA  42  -1.281  -7.421  -1.099
  454   1HB   ALA  42          1HB       ALA  42   1.538  -8.515  -0.842
  455   2HB   ALA  42          2HB       ALA  42   0.247  -8.803   0.341
  456   3HB   ALA  42          3HB       ALA  42   0.085  -9.389  -1.328
  457    QB   ALA  42           QB       ALA  42   0.623  -8.902  -0.609
  458    H    ASN  43           HN       ASN  43   1.018  -4.978  -1.493
  459    HA   ASN  43           HA       ASN  43   1.305  -4.322   1.375
  460   1HB   ASN  43          2HB       ASN  43   3.216  -4.191  -0.362
  461   2HB   ASN  43          3HB       ASN  43   2.376  -2.798  -1.040
  462   1HD2  ASN  43          2HD2      ASN  43   4.820  -1.285   1.190
  463   2HD2  ASN  43          1HD2      ASN  43   4.813  -2.183  -0.281
  464    QB   ASN  43           QB       ASN  43   2.796  -3.495  -0.701
  465    QD2  ASN  43           QD2      ASN  43   4.816  -1.734   0.454
  466    NH1  ARG  44           NH2      ARG  44  -6.827  -2.776  -1.976
  467    NH2  ARG  44           NH1      ARG  44  -6.164  -4.344  -3.560
  468    H    ARG  44           HN       ARG  44  -1.262  -4.197   1.172
  469    HA   ARG  44           HA       ARG  44  -1.927  -1.348   0.748
  470   1HB   ARG  44          2HB       ARG  44  -2.191  -2.480  -1.460
  471   2HB   ARG  44          3HB       ARG  44  -3.456  -3.501  -0.739
  472   1HG   ARG  44          2HG       ARG  44  -4.823  -1.520  -0.275
  473   2HG   ARG  44          3HG       ARG  44  -3.489  -0.445  -0.665
  474   1HD   ARG  44          2HD       ARG  44  -5.226  -0.598  -2.464
  475   2HD   ARG  44          3HD       ARG  44  -3.568  -0.905  -2.966
  476    HE   ARG  44           HE       ARG  44  -4.048  -3.013  -3.588
  477   1HH1  ARG  44          2HH2      ARG  44  -6.618  -1.932  -1.463
  478   2HH1  ARG  44          1HH2      ARG  44  -7.723  -3.219  -1.849
  479   1HH2  ARG  44          2HH1      ARG  44  -5.556  -4.586  -4.336
  480   2HH2  ARG  44          1HH1      ARG  44  -7.012  -4.875  -3.439
  481    QB   ARG  44           QB       ARG  44  -2.824  -2.991  -1.099
  482    QG   ARG  44           QG       ARG  44  -4.156  -0.982  -0.470
  483    QD   ARG  44           QD       ARG  44  -4.397  -0.751  -2.715
  484    QH1  ARG  44           QH2      ARG  44  -7.170  -2.575  -1.656
  485    QH2  ARG  44           QH1      ARG  44  -6.284  -4.731  -3.887
  486    H    PHE  45           HN       PHE  45  -3.064  -0.695   2.400
  487    HA   PHE  45           HA       PHE  45  -4.719  -2.559   4.089
  488   1HB   PHE  45          2HB       PHE  45  -2.852  -0.363   5.004
  489   2HB   PHE  45          3HB       PHE  45  -3.739  -1.508   5.991
  490    HD1  PHE  45          2HD       PHE  45  -3.030  -3.935   6.076
  491    HD2  PHE  45          1HD       PHE  45  -0.808  -1.018   3.811
  492    HE1  PHE  45          2HE       PHE  45  -1.052  -5.408   6.116
  493    HE2  PHE  45          1HE       PHE  45   1.201  -2.467   3.922
  494    HZ   PHE  45           HZ       PHE  45   1.097  -4.642   5.103
  495    QB   PHE  45           QB       PHE  45  -3.295  -0.936   5.497
  496    QR   PHE  45           QR       PHE  45  -0.922  -3.207   4.981
  497    H    LYS  46           HN       LYS  46  -6.588  -1.657   4.930
  498    HA   LYS  46           HA       LYS  46  -7.519   0.821   3.673
  499   1HB   LYS  46          2HB       LYS  46  -8.768  -0.962   5.799
  500   2HB   LYS  46          3HB       LYS  46  -9.521   0.471   5.076
  501   1HG   LYS  46          2HG       LYS  46  -9.224  -0.566   2.800
  502   2HG   LYS  46          3HG       LYS  46  -8.677  -2.058   3.596
  503   1HD   LYS  46          2HD       LYS  46 -10.839  -2.150   4.846
  504   2HD   LYS  46          3HD       LYS  46 -11.365  -0.667   4.020
  505   1HE   LYS  46          2HE       LYS  46 -11.158  -1.837   1.812
  506   2HE   LYS  46          3HE       LYS  46 -10.680  -3.322   2.656
  507   1HZ   LYS  46          3HZ       LYS  46 -12.832  -3.316   3.736
  508   2HZ   LYS  46          1HZ       LYS  46 -13.274  -1.948   2.933
  509   3HZ   LYS  46          2HZ       LYS  46 -12.998  -3.338   2.101
  510    QB   LYS  46           QB       LYS  46  -9.144  -0.246   5.438
  511    QG   LYS  46           QG       LYS  46  -8.951  -1.312   3.198
  512    QD   LYS  46           QD       LYS  46 -11.102  -1.409   4.433
  513    QE   LYS  46           QE       LYS  46 -10.919  -2.579   2.234
  514    QZ   LYS  46           QZ       LYS  46 -13.035  -2.867   2.923
  515    H    THR  47           HN       THR  47  -5.616   0.092   6.485
  516    HA   THR  47           HA       THR  47  -6.009   2.906   7.392
  517    HB   THR  47           HB       THR  47  -6.191   2.319   9.680
  518    HG1  THR  47          1HG       THR  47  -6.452  -0.070  10.077
  519   1HG2  THR  47          2HG2      THR  47  -8.329   2.233   8.353
  520   2HG2  THR  47          3HG2      THR  47  -8.127   0.469   8.221
  521   3HG2  THR  47          1HG2      THR  47  -8.341   1.227   9.810
  522    QG2  THR  47           QG2      THR  47  -8.266   1.310   8.795
  523    H    ILE  48           HN       ILE  48  -4.291   3.839   8.453
  524    HA   ILE  48           HA       ILE  48  -1.663   2.910   7.924
  525    HB   ILE  48           HB       ILE  48  -2.506   5.318   8.605
  526   1HG1  ILE  48          2HG1      ILE  48  -0.361   5.791   9.961
  527   2HG1  ILE  48          3HG1      ILE  48   0.032   4.080   9.736
  528   1HG2  ILE  48          1HG2      ILE  48  -3.644   4.528  10.704
  529   2HG2  ILE  48          2HG2      ILE  48  -2.032   4.254  11.417
  530   3HG2  ILE  48          3HG2      ILE  48  -2.517   5.881  10.932
  531   1HD1  ILE  48          1HD1      ILE  48  -0.157   4.451   7.249
  532   2HD1  ILE  48          2HD1      ILE  48  -0.474   6.169   7.572
  533   3HD1  ILE  48          3HD1      ILE  48   1.083   5.463   8.028
  534    QG1  ILE  48           QG1      ILE  48  -0.164   4.936   9.848
  535    QG2  ILE  48           QG2      ILE  48  -2.731   4.888  11.018
  536    QD1  ILE  48           QD1      ILE  48   0.151   5.361   7.617
  537    H    GLU  49           HN       GLU  49  -3.867   2.314  10.655
  538    HA   GLU  49           HA       GLU  49  -1.791   1.235  12.294
  539   1HB   GLU  49          2HB       GLU  49  -4.822   0.802  12.417
  540   2HB   GLU  49          3HB       GLU  49  -3.647   0.367  13.669
  541   1HG   GLU  49          2HG       GLU  49  -2.926   2.804  13.739
  542   2HG   GLU  49          3HG       GLU  49  -4.315   3.182  12.701
  543    QB   GLU  49           QB       GLU  49  -4.234   0.584  13.043
  544    QG   GLU  49           QG       GLU  49  -3.620   2.993  13.220
  545    H    GLU  50           HN       GLU  50  -4.083  -0.260   9.957
  546    HA   GLU  50           HA       GLU  50  -3.274  -2.954  10.521
  547   1HB   GLU  50          2HB       GLU  50  -4.429  -1.545   8.100
  548   2HB   GLU  50          3HB       GLU  50  -4.036  -3.279   8.071
  549   1HG   GLU  50          2HG       GLU  50  -5.809  -2.126  10.252
  550   2HG   GLU  50          3HG       GLU  50  -6.454  -2.628   8.677
  551    QB   GLU  50           QB       GLU  50  -4.233  -2.412   8.085
  552    QG   GLU  50           QG       GLU  50  -6.131  -2.377   9.465
  553    H    CYS  51           HN       CYS  51  -2.039  -0.535   8.158
  554    HA   CYS  51           HA       CYS  51   0.099  -2.128   7.201
  555   1HB   CYS  51          2HB       CYS  51  -0.489  -0.035   6.094
  556   2HB   CYS  51          3HB       CYS  51  -0.025   0.905   7.506
  557    QB   CYS  51           QB       CYS  51  -0.257   0.435   6.800
  558    NH1  ARG  52           NH2      ARG  52   2.565   5.202  14.332
  559    NH2  ARG  52           NH1      ARG  52   2.683   5.809  12.097
  560    H    ARG  52           HN       ARG  52   0.194   0.274   9.878
  561    HA   ARG  52           HA       ARG  52   2.872  -0.177  10.550
  562   1HB   ARG  52          2HB       ARG  52   1.337   1.653  11.307
  563   2HB   ARG  52          3HB       ARG  52   0.631   0.541  12.487
  564   1HG   ARG  52          2HG       ARG  52   2.762   0.297  13.632
  565   2HG   ARG  52          3HG       ARG  52   3.622   1.158  12.346
  566   1HD   ARG  52          2HD       ARG  52   1.485   2.406  14.120
  567   2HD   ARG  52          3HD       ARG  52   3.244   2.522  14.374
  568    HE   ARG  52           HE       ARG  52   2.518   3.332  11.704
  569   1HH1  ARG  52          2HH2      ARG  52   2.467   4.478  15.029
  570   2HH1  ARG  52          1HH2      ARG  52   2.625   6.162  14.636
  571   1HH2  ARG  52          2HH1      ARG  52   2.697   5.562  11.117
  572   2HH2  ARG  52          1HH1      ARG  52   2.745   6.787  12.341
  573    QB   ARG  52           QB       ARG  52   0.984   1.097  11.897
  574    QG   ARG  52           QG       ARG  52   3.192   0.728  12.989
  575    QD   ARG  52           QD       ARG  52   2.365   2.464  14.247
  576    QH1  ARG  52           QH2      ARG  52   2.546   5.320  14.832
  577    QH2  ARG  52           QH1      ARG  52   2.721   6.175  11.729
  578    NH1  ARG  53           NH2      ARG  53  -0.722  -3.954  18.210
  579    NH2  ARG  53           NH1      ARG  53   1.459  -3.366  17.926
  580    H    ARG  53           HN       ARG  53  -0.030  -1.855  11.762
  581    HA   ARG  53           HA       ARG  53   1.274  -3.484  13.727
  582   1HB   ARG  53          2HB       ARG  53  -1.299  -3.839  12.145
  583   2HB   ARG  53          3HB       ARG  53  -0.838  -4.891  13.475
  584   1HG   ARG  53          2HG       ARG  53  -1.002  -1.896  13.989
  585   2HG   ARG  53          3HG       ARG  53  -2.479  -2.838  13.787
  586   1HD   ARG  53          2HD       ARG  53  -2.079  -2.718  16.080
  587   2HD   ARG  53          3HD       ARG  53  -1.722  -4.385  15.589
  588    HE   ARG  53           HE       ARG  53   0.698  -2.825  15.544
  589   1HH1  ARG  53          2HH2      ARG  53  -1.647  -4.067  17.833
  590   2HH1  ARG  53          1HH2      ARG  53  -0.539  -4.195  19.171
  591   1HH2  ARG  53          2HH1      ARG  53   2.300  -3.176  17.370
  592   2HH2  ARG  53          1HH1      ARG  53   1.695  -3.613  18.872
  593    QB   ARG  53           QB       ARG  53  -1.069  -4.365  12.810
  594    QG   ARG  53           QG       ARG  53  -1.741  -2.367  13.888
  595    QD   ARG  53           QD       ARG  53  -1.901  -3.552  15.835
  596    QH1  ARG  53           QH2      ARG  53  -1.093  -4.131  18.502
  597    QH2  ARG  53           QH1      ARG  53   1.998  -3.394  18.121
  598    H    THR  54           HN       THR  54   0.660  -3.909  10.228
  599    HA   THR  54           HA       THR  54   1.503  -6.676  10.233
  600    HB   THR  54           HB       THR  54   1.298  -4.669   7.944
  601    HG1  THR  54          1HG       THR  54  -0.664  -4.958   8.972
  602   1HG2  THR  54          1HG2      THR  54   1.407  -7.722   7.987
  603   2HG2  THR  54          2HG2      THR  54   1.011  -6.732   6.572
  604   3HG2  THR  54          3HG2      THR  54   2.632  -6.640   7.281
  605    QG2  THR  54           QG2      THR  54   1.683  -7.031   7.280
  606    H    CYS  55           HN       CYS  55   3.094  -3.601   9.204
  607    HA   CYS  55           HA       CYS  55   5.480  -5.170   8.545
  608   1HB   CYS  55          2HB       CYS  55   4.599  -3.502   7.046
  609   2HB   CYS  55          3HB       CYS  55   5.233  -2.244   8.113
  610    QB   CYS  55           QB       CYS  55   4.916  -2.873   7.579
  611    H    VAL  56           HN       VAL  56   4.647  -2.571  10.799
  612    HA   VAL  56           HA       VAL  56   7.265  -2.676  12.218
  613    HB   VAL  56           HB       VAL  56   4.884  -0.851  12.732
  614   1HG1  VAL  56          1HG1      VAL  56   7.771  -0.844  13.640
  615   2HG1  VAL  56          2HG1      VAL  56   6.897   0.679  13.450
  616   3HG1  VAL  56          3HG1      VAL  56   6.287  -0.503  14.570
  617   1HG2  VAL  56          2HG2      VAL  56   7.250  -0.393  10.875
  618   2HG2  VAL  56          3HG2      VAL  56   5.538  -0.478  10.403
  619   3HG2  VAL  56          1HG2      VAL  56   6.103   0.859  11.383
  620    QG1  VAL  56           QG1      VAL  56   6.985  -0.223  13.886
  621    QG2  VAL  56           QG2      VAL  56   6.297  -0.004  10.887
  622    QQG  VAL  56           QQG      VAL  56   6.641  -0.113  12.387
  623    H    GLY  57           HN       GLY  57   6.150  -2.292  14.840
  624   1HA   GLY  57          1HA       GLY  57   4.375  -4.564  15.333
  625   2HA   GLY  57          2HA       GLY  57   5.982  -4.595  16.106
  626    QA   GLY  57           QA       GLY  57   5.178  -4.580  15.720
   
  Start of MODEL           5
 Raw file had  626 H/Q atoms
  Start of MODEL    5
    1    H    ALA   1           HN       ALA   1   9.394  -7.304  10.495
    2    HA   ALA   1           HA       ALA   1   7.521  -6.426   9.200
    3   1HB   ALA   1          2HB       ALA   1  10.255  -5.874   7.958
    4   2HB   ALA   1          3HB       ALA   1   8.802  -4.896   7.721
    5   3HB   ALA   1          1HB       ALA   1   9.515  -5.024   9.332
    6    QB   ALA   1           QB       ALA   1   9.524  -5.265   8.337
    7    H    ALA   2           HN       ALA   2   6.101  -7.484   7.965
    8    HA   ALA   2           HA       ALA   2   6.025  -9.602   6.463
    9   1HB   ALA   2          2HB       ALA   2   4.763  -6.904   5.877
   10   2HB   ALA   2          3HB       ALA   2   4.291  -8.386   5.030
   11   3HB   ALA   2          1HB       ALA   2   4.086  -8.265   6.790
   12    QB   ALA   2           QB       ALA   2   4.380  -7.852   5.899
   13    H    LYS   3           HN       LYS   3   7.067 -10.517   4.771
   14    HA   LYS   3           HA       LYS   3   9.064  -9.438   3.252
   15   1HB   LYS   3          2HB       LYS   3   7.439 -11.847   3.214
   16   2HB   LYS   3          3HB       LYS   3   7.687 -11.315   1.553
   17   1HG   LYS   3          2HG       LYS   3  10.049 -11.344   1.762
   18   2HG   LYS   3          3HG       LYS   3  10.000 -11.572   3.516
   19   1HD   LYS   3          2HD       LYS   3   8.616 -13.603   1.747
   20   2HD   LYS   3          3HD       LYS   3  10.370 -13.629   1.764
   21   1HE   LYS   3          2HE       LYS   3   8.689 -13.756   4.318
   22   2HE   LYS   3          3HE       LYS   3   9.190 -15.189   3.414
   23   1HZ   LYS   3          1HZ       LYS   3  11.055 -13.230   4.578
   24   2HZ   LYS   3          2HZ       LYS   3  10.705 -14.711   5.193
   25   3HZ   LYS   3          3HZ       LYS   3  11.467 -14.589   3.747
   26    QB   LYS   3           QB       LYS   3   7.563 -11.581   2.384
   27    QG   LYS   3           QG       LYS   3  10.024 -11.458   2.639
   28    QD   LYS   3           QD       LYS   3   9.493 -13.616   1.756
   29    QE   LYS   3           QE       LYS   3   8.940 -14.472   3.866
   30    QZ   LYS   3           QZ       LYS   3  11.076 -14.177   4.506
   31    OH   TYR   4           OH       TYR   4   0.710  -8.684   4.986
   32    H    TYR   4           HN       TYR   4   5.636  -9.591   2.112
   33    HA   TYR   4           HA       TYR   4   6.092  -8.316  -0.344
   34   1HB   TYR   4          2HB       TYR   4   3.652  -7.911  -0.296
   35   2HB   TYR   4          3HB       TYR   4   4.144  -9.568   0.055
   36    HD1  TYR   4           HD2      TYR   4   2.711  -6.473   1.544
   37    HD2  TYR   4           HD1      TYR   4   3.652 -10.640   2.148
   38    HE1  TYR   4           HE2      TYR   4   1.151  -6.553   3.458
   39    HE2  TYR   4           HE1      TYR   4   2.191 -10.675   4.146
   40    HH   TYR   4           HH       TYR   4   0.123  -7.927   5.037
   41    QB   TYR   4           QB       TYR   4   3.898  -8.740  -0.120
   42    QR   TYR   4           QR       TYR   4   2.426  -8.585   2.824
   43    H    CYS   5           HN       CYS   5   6.078  -6.901   2.782
   44    HA   CYS   5           HA       CYS   5   5.139  -4.270   2.300
   45   1HB   CYS   5          2HB       CYS   5   5.744  -5.393   4.462
   46   2HB   CYS   5          3HB       CYS   5   7.454  -5.071   4.089
   47    QB   CYS   5           QB       CYS   5   6.599  -5.232   4.276
   48    H    LYS   6           HN       LYS   6   8.099  -5.874   1.294
   49    HA   LYS   6           HA       LYS   6   9.626  -3.549   0.555
   50   1HB   LYS   6          2HB       LYS   6  10.647  -5.648   1.034
   51   2HB   LYS   6          3HB       LYS   6   9.709  -6.484  -0.218
   52   1HG   LYS   6          2HG       LYS   6  10.894  -5.600  -1.946
   53   2HG   LYS   6          3HG       LYS   6  11.401  -4.150  -1.041
   54   1HD   LYS   6          2HD       LYS   6  13.029  -5.266   0.196
   55   2HD   LYS   6          3HD       LYS   6  12.386  -6.876  -0.195
   56   1HE   LYS   6          2HE       LYS   6  13.094  -6.706  -2.521
   57   2HE   LYS   6          3HE       LYS   6  13.551  -5.006  -2.325
   58   1HZ   LYS   6          2HZ       LYS   6  14.884  -7.272  -0.993
   59   2HZ   LYS   6          3HZ       LYS   6  15.442  -6.478  -2.317
   60   3HZ   LYS   6          1HZ       LYS   6  15.322  -5.689  -0.883
   61    QB   LYS   6           QB       LYS   6  10.178  -6.066   0.408
   62    QG   LYS   6           QG       LYS   6  11.148  -4.875  -1.493
   63    QD   LYS   6           QD       LYS   6  12.708  -6.071   0.000
   64    QE   LYS   6           QE       LYS   6  13.322  -5.856  -2.423
   65    QZ   LYS   6           QZ       LYS   6  15.216  -6.480  -1.398
   66    H    LEU   7           HN       LEU   7   6.839  -5.046  -0.997
   67    HA   LEU   7           HA       LEU   7   7.438  -4.270  -3.664
   68   1HB   LEU   7          2HB       LEU   7   4.825  -4.551  -2.157
   69   2HB   LEU   7          3HB       LEU   7   4.909  -4.230  -3.879
   70    HG   LEU   7           HG       LEU   7   6.479  -6.587  -2.881
   71   1HD1  LEU   7          3HD1      LEU   7   3.683  -6.425  -2.319
   72   2HD1  LEU   7          1HD1      LEU   7   3.876  -7.497  -3.726
   73   3HD1  LEU   7          2HD1      LEU   7   4.764  -7.833  -2.252
   74   1HD2  LEU   7          3HD2      LEU   7   6.556  -5.843  -5.264
   75   2HD2  LEU   7          1HD2      LEU   7   5.868  -7.471  -5.082
   76   3HD2  LEU   7          2HD2      LEU   7   4.798  -6.085  -5.374
   77    QB   LEU   7           QB       LEU   7   4.867  -4.391  -3.018
   78    QD1  LEU   7           QD1      LEU   7   4.108  -7.251  -2.766
   79    QD2  LEU   7           QD2      LEU   7   5.741  -6.466  -5.240
   80    QQD  LEU   7           QQD      LEU   7   4.924  -6.859  -4.003
   81    HA   PRO   8           HA       PRO   8   7.209   0.117  -3.032
   82   1HB   PRO   8          2HB       PRO   8   7.181   1.048  -5.600
   83   2HB   PRO   8          3HB       PRO   8   8.555   0.097  -4.964
   84   1HG   PRO   8          2HG       PRO   8   6.177  -0.941  -6.545
   85   2HG   PRO   8          3HG       PRO   8   7.911  -1.162  -6.929
   86   1HD   PRO   8          2HD       PRO   8   6.495  -3.050  -5.529
   87   2HD   PRO   8          3HD       PRO   8   8.204  -2.673  -5.128
   88    QB   PRO   8           QB       PRO   8   7.868   0.573  -5.282
   89    QG   PRO   8           QG       PRO   8   7.044  -1.051  -6.737
   90    QD   PRO   8           QD       PRO   8   7.350  -2.862  -5.328
   91    H    LEU   9           HN       LEU   9   5.921   2.079  -4.008
   92    HA   LEU   9           HA       LEU   9   3.142   1.950  -3.540
   93   1HB   LEU   9          2HB       LEU   9   4.424   4.052  -3.595
   94   2HB   LEU   9          3HB       LEU   9   4.781   3.825  -5.304
   95    HG   LEU   9           HG       LEU   9   2.496   4.194  -5.944
   96   1HD1  LEU   9          2HD1      LEU   9   1.838   4.034  -2.981
   97   2HD1  LEU   9          3HD1      LEU   9   0.775   4.812  -4.132
   98   3HD1  LEU   9          1HD1      LEU   9   1.135   3.093  -4.292
   99   1HD2  LEU   9          3HD2      LEU   9   3.898   6.178  -5.420
  100   2HD2  LEU   9          1HD2      LEU   9   2.173   6.484  -5.150
  101   3HD2  LEU   9          2HD2      LEU   9   3.243   6.191  -3.767
  102    QB   LEU   9           QB       LEU   9   4.603   3.938  -4.449
  103    QD1  LEU   9           QD1      LEU   9   1.249   3.980  -3.802
  104    QD2  LEU   9           QD2      LEU   9   3.105   6.284  -4.779
  105    QQD  LEU   9           QQD      LEU   9   2.177   5.132  -4.290
  106    NH1  ARG  10           NH2      ARG  10   2.944  -3.772 -10.695
  107    NH2  ARG  10           NH1      ARG  10   3.994  -5.244  -9.249
  108    H    ARG  10           HN       ARG  10   1.585   1.044  -4.685
  109    HA   ARG  10           HA       ARG  10   1.993   0.330  -7.549
  110   1HB   ARG  10          2HB       ARG  10   2.603  -1.525  -5.999
  111   2HB   ARG  10          3HB       ARG  10   1.022  -1.368  -5.223
  112   1HG   ARG  10          2HG       ARG  10   0.797  -3.208  -6.712
  113   2HG   ARG  10          3HG       ARG  10  -0.053  -1.852  -7.442
  114   1HD   ARG  10          2HD       ARG  10   0.952  -2.723  -9.248
  115   2HD   ARG  10          3HD       ARG  10   2.173  -1.506  -8.828
  116    HE   ARG  10           HE       ARG  10   2.937  -3.803  -7.466
  117   1HH1  ARG  10          2HH2      ARG  10   2.359  -2.962 -10.836
  118   2HH1  ARG  10          1HH2      ARG  10   3.304  -4.254 -11.505
  119   1HH2  ARG  10          2HH1      ARG  10   4.177  -5.584  -8.317
  120   2HH2  ARG  10          1HH1      ARG  10   4.383  -5.759 -10.027
  121    QB   ARG  10           QB       ARG  10   1.813  -1.447  -5.611
  122    QG   ARG  10           QG       ARG  10   0.372  -2.530  -7.077
  123    QD   ARG  10           QD       ARG  10   1.562  -2.114  -9.038
  124    QH1  ARG  10           QH2      ARG  10   2.832  -3.608 -11.170
  125    QH2  ARG  10           QH1      ARG  10   4.280  -5.671  -9.172
  126    H    ILE  11           HN       ILE  11   0.589   2.064  -8.134
  127    HA   ILE  11           HA       ILE  11  -2.046   2.285  -6.965
  128    HB   ILE  11           HB       ILE  11  -1.179   3.327  -9.672
  129   1HG1  ILE  11          2HG1      ILE  11   0.566   4.170  -8.278
  130   2HG1  ILE  11          3HG1      ILE  11  -0.661   5.445  -8.361
  131   1HG2  ILE  11          3HG2      ILE  11  -3.292   4.087  -7.600
  132   2HG2  ILE  11          1HG2      ILE  11  -2.847   5.158  -8.929
  133   3HG2  ILE  11          2HG2      ILE  11  -3.554   3.566  -9.259
  134   1HD1  ILE  11          3HD1      ILE  11  -1.615   4.866  -6.315
  135   2HD1  ILE  11          1HD1      ILE  11  -0.302   3.687  -6.003
  136   3HD1  ILE  11          2HD1      ILE  11   0.061   5.422  -6.183
  137    QG1  ILE  11           QG1      ILE  11  -0.048   4.808  -8.320
  138    QG2  ILE  11           QG2      ILE  11  -3.231   4.270  -8.596
  139    QD1  ILE  11           QD1      ILE  11  -0.619   4.658  -6.167
  140    H    GLY  12           HN       GLY  12  -0.620   0.608  -9.673
  141   1HA   GLY  12          1HA       GLY  12  -1.448  -1.276 -10.785
  142   2HA   GLY  12          2HA       GLY  12  -3.070  -0.993 -10.122
  143    QA   GLY  12           QA       GLY  12  -2.259  -1.134 -10.454
  144    HA   PRO  13           HA       PRO  13  -2.321   1.176 -14.263
  145   1HB   PRO  13          2HB       PRO  13  -3.269  -0.518 -16.165
  146   2HB   PRO  13          3HB       PRO  13  -1.636  -0.668 -15.468
  147   1HG   PRO  13          2HG       PRO  13  -4.127  -2.183 -14.638
  148   2HG   PRO  13          3HG       PRO  13  -2.519  -2.859 -15.040
  149   1HD   PRO  13          2HD       PRO  13  -3.258  -2.371 -12.450
  150   2HD   PRO  13          3HD       PRO  13  -1.585  -2.077 -13.011
  151    QB   PRO  13           QB       PRO  13  -2.453  -0.593 -15.816
  152    QG   PRO  13           QG       PRO  13  -3.323  -2.521 -14.839
  153    QD   PRO  13           QD       PRO  13  -2.421  -2.224 -12.731
  154    H    CYS  14           HN       CYS  14  -5.175   0.070 -12.471
  155    HA   CYS  14           HA       CYS  14  -6.976   0.874 -14.630
  156   1HB   CYS  14          2HB       CYS  14  -7.155  -0.363 -11.962
  157   2HB   CYS  14          3HB       CYS  14  -8.526   0.562 -12.448
  158    QB   CYS  14           QB       CYS  14  -7.840   0.099 -12.205
  159    H    LYS  15           HN       LYS  15  -8.691   2.411 -14.185
  160    HA   LYS  15           HA       LYS  15  -7.333   4.939 -13.332
  161   1HB   LYS  15          2HB       LYS  15  -7.858   4.160 -15.825
  162   2HB   LYS  15          3HB       LYS  15  -9.413   4.907 -15.511
  163   1HG   LYS  15          2HG       LYS  15  -6.670   6.215 -15.076
  164   2HG   LYS  15          3HG       LYS  15  -7.509   6.300 -16.600
  165   1HD   LYS  15          2HD       LYS  15  -8.604   7.377 -13.955
  166   2HD   LYS  15          3HD       LYS  15  -7.736   8.349 -15.132
  167   1HE   LYS  15          2HE       LYS  15 -10.408   6.935 -15.624
  168   2HE   LYS  15          3HE       LYS  15 -10.186   8.651 -15.287
  169   1HZ   LYS  15          3HZ       LYS  15  -8.914   8.843 -17.318
  170   2HZ   LYS  15          1HZ       LYS  15  -9.146   7.247 -17.657
  171   3HZ   LYS  15          2HZ       LYS  15 -10.426   8.273 -17.618
  172    QB   LYS  15           QB       LYS  15  -8.636   4.533 -15.668
  173    QG   LYS  15           QG       LYS  15  -7.089   6.258 -15.838
  174    QD   LYS  15           QD       LYS  15  -8.170   7.863 -14.543
  175    QE   LYS  15           QE       LYS  15 -10.297   7.793 -15.456
  176    QZ   LYS  15           QZ       LYS  15  -9.496   8.121 -17.531
  177    NH1  ARG  16           NH2      ARG  16 -14.800   1.979 -11.759
  178    NH2  ARG  16           NH1      ARG  16 -15.686   0.307 -10.415
  179    H    ARG  16           HN       ARG  16  -8.460   3.626 -11.495
  180    HA   ARG  16           HA       ARG  16 -11.099   4.761 -10.761
  181   1HB   ARG  16          2HB       ARG  16  -9.512   2.281 -10.113
  182   2HB   ARG  16          3HB       ARG  16 -10.473   2.961  -8.815
  183   1HG   ARG  16          2HG       ARG  16 -11.702   2.296 -11.511
  184   2HG   ARG  16          3HG       ARG  16 -11.477   1.111 -10.214
  185   1HD   ARG  16          2HD       ARG  16 -12.649   2.870  -8.666
  186   2HD   ARG  16          3HD       ARG  16 -13.271   3.572 -10.148
  187    HE   ARG  16           HE       ARG  16 -13.928   1.054  -8.795
  188   1HH1  ARG  16          2HH2      ARG  16 -14.108   2.701 -11.894
  189   2HH1  ARG  16          1HH2      ARG  16 -15.464   1.794 -12.495
  190   1HH2  ARG  16          2HH1      ARG  16 -15.684  -0.218  -9.552
  191   2HH2  ARG  16          1HH1      ARG  16 -16.366   0.061 -11.119
  192    QB   ARG  16           QB       ARG  16  -9.993   2.621  -9.464
  193    QG   ARG  16           QG       ARG  16 -11.589   1.703 -10.863
  194    QD   ARG  16           QD       ARG  16 -12.960   3.221  -9.407
  195    QH1  ARG  16           QH2      ARG  16 -14.786   2.247 -12.195
  196    QH2  ARG  16           QH1      ARG  16 -16.025  -0.078 -10.335
  197    H    LYS  17           HN       LYS  17 -10.989   5.036  -8.183
  198    HA   LYS  17           HA       LYS  17  -8.442   6.080  -7.193
  199   1HB   LYS  17          2HB       LYS  17 -10.001   7.884  -8.515
  200   2HB   LYS  17          3HB       LYS  17 -10.867   7.886  -7.000
  201   1HG   LYS  17          2HG       LYS  17  -9.393   9.633  -6.797
  202   2HG   LYS  17          3HG       LYS  17  -8.614   8.365  -5.855
  203   1HD   LYS  17          2HD       LYS  17  -6.851   8.119  -7.454
  204   2HD   LYS  17          3HD       LYS  17  -7.904   8.552  -8.794
  205   1HE   LYS  17          2HE       LYS  17  -6.373  10.358  -8.589
  206   2HE   LYS  17          3HE       LYS  17  -7.941  10.929  -8.022
  207   1HZ   LYS  17          2HZ       LYS  17  -7.006  10.370  -5.693
  208   2HZ   LYS  17          3HZ       LYS  17  -5.592  10.222  -6.401
  209   3HZ   LYS  17          1HZ       LYS  17  -6.359  11.671  -6.467
  210    QB   LYS  17           QB       LYS  17 -10.434   7.885  -7.757
  211    QG   LYS  17           QG       LYS  17  -9.003   8.999  -6.326
  212    QD   LYS  17           QD       LYS  17  -7.378   8.335  -8.124
  213    QE   LYS  17           QE       LYS  17  -7.157  10.644  -8.305
  214    QZ   LYS  17           QZ       LYS  17  -6.319  10.754  -6.187
  215    H    ILE  18           HN       ILE  18  -8.458   4.627  -5.442
  216    HA   ILE  18           HA       ILE  18 -10.832   4.729  -3.641
  217    HB   ILE  18           HB       ILE  18  -9.188   2.273  -4.360
  218   1HG1  ILE  18          2HG1      ILE  18 -12.092   2.988  -4.984
  219   2HG1  ILE  18          3HG1      ILE  18 -10.763   2.865  -6.148
  220   1HG2  ILE  18          2HG2      ILE  18  -9.911   2.351  -1.955
  221   2HG2  ILE  18          3HG2      ILE  18 -11.588   2.563  -2.491
  222   3HG2  ILE  18          1HG2      ILE  18 -10.699   1.064  -2.841
  223   1HD1  ILE  18          2HD1      ILE  18 -10.480   0.443  -5.483
  224   2HD1  ILE  18          3HD1      ILE  18 -12.012   0.584  -4.587
  225   3HD1  ILE  18          1HD1      ILE  18 -11.982   0.846  -6.336
  226    QG1  ILE  18           QG1      ILE  18 -11.428   2.926  -5.566
  227    QG2  ILE  18           QG2      ILE  18 -10.733   1.993  -2.429
  228    QD1  ILE  18           QD1      ILE  18 -11.491   0.624  -5.469
  229    HA   PRO  19           HA       PRO  19  -7.292   6.082  -1.175
  230   1HB   PRO  19          2HB       PRO  19  -8.477   6.313   1.292
  231   2HB   PRO  19          3HB       PRO  19  -8.674   7.492  -0.036
  232   1HG   PRO  19          2HG       PRO  19 -10.537   5.216   0.683
  233   2HG   PRO  19          3HG       PRO  19 -10.964   6.933   0.407
  234   1HD   PRO  19          2HD       PRO  19 -11.232   5.083  -1.533
  235   2HD   PRO  19          3HD       PRO  19 -10.610   6.710  -1.953
  236    QB   PRO  19           QB       PRO  19  -8.575   6.903   0.628
  237    QG   PRO  19           QG       PRO  19 -10.751   6.075   0.545
  238    QD   PRO  19           QD       PRO  19 -10.921   5.896  -1.743
  239    H    SER  20           HN       SER  20  -5.706   4.856  -0.132
  240    HA   SER  20           HA       SER  20  -6.457   2.670   1.637
  241   1HB   SER  20          2HB       SER  20  -4.602   2.036  -0.715
  242   2HB   SER  20          3HB       SER  20  -5.093   0.957   0.575
  243    HG   SER  20           HG       SER  20  -7.160   2.130  -0.855
  244    QB   SER  20           QB       SER  20  -4.848   1.496  -0.070
  245    H    PHE  21           HN       PHE  21  -4.279   1.762   2.538
  246    HA   PHE  21           HA       PHE  21  -2.141   3.831   2.512
  247   1HB   PHE  21          2HB       PHE  21  -2.913   1.934   4.764
  248   2HB   PHE  21          3HB       PHE  21  -1.456   2.923   4.728
  249    HD1  PHE  21          2HD       PHE  21  -5.195   3.091   4.781
  250    HD2  PHE  21          1HD       PHE  21  -1.513   5.271   5.315
  251    HE1  PHE  21          2HE       PHE  21  -6.463   5.018   5.672
  252    HE2  PHE  21          1HE       PHE  21  -2.786   7.197   6.211
  253    HZ   PHE  21           HZ       PHE  21  -5.262   7.079   6.386
  254    QB   PHE  21           QB       PHE  21  -2.185   2.428   4.746
  255    QR   PHE  21           QR       PHE  21  -3.989   5.144   5.495
  256    OH   TYR  22           OH       TYR  22   4.216   5.378  -1.343
  257    H    TYR  22           HN       TYR  22   0.012   2.924   2.376
  258    HA   TYR  22           HA       TYR  22   0.292   0.026   2.049
  259   1HB   TYR  22          2HB       TYR  22   1.455   0.152   0.075
  260   2HB   TYR  22          3HB       TYR  22  -0.017   1.015  -0.302
  261    HD1  TYR  22           HD2      TYR  22   0.365   3.758   0.360
  262    HD2  TYR  22           HD1      TYR  22   3.421   0.930  -0.786
  263    HE1  TYR  22           HE2      TYR  22   1.825   5.615  -0.327
  264    HE2  TYR  22           HE1      TYR  22   4.881   2.784  -1.444
  265    HH   TYR  22           HH       TYR  22   5.102   5.127  -1.588
  266    QB   TYR  22           QB       TYR  22   0.719   0.583  -0.113
  267    QR   TYR  22           QR       TYR  22   2.623   3.272  -0.549
  268    OH   TYR  23           OH       TYR  23   9.276  -0.595   7.094
  269    H    TYR  23           HN       TYR  23   2.837  -0.300   1.873
  270    HA   TYR  23           HA       TYR  23   4.154   1.735   3.648
  271   1HB   TYR  23          2HB       TYR  23   3.840  -0.570   4.570
  272   2HB   TYR  23          3HB       TYR  23   4.836  -1.167   3.266
  273    HD1  TYR  23           HD1      TYR  23   7.222  -0.388   3.062
  274    HD2  TYR  23           HD2      TYR  23   4.855   0.132   6.604
  275    HE1  TYR  23           HE1      TYR  23   9.195  -0.774   4.456
  276    HE2  TYR  23           HE2      TYR  23   6.896   0.054   7.985
  277    HH   TYR  23           HH       TYR  23  10.011  -0.965   6.604
  278    QB   TYR  23           QB       TYR  23   4.338  -0.869   3.918
  279    QR   TYR  23           QR       TYR  23   7.042  -0.244   5.527
  280    H    LYS  24           HN       LYS  24   5.695   2.956   2.685
  281    HA   LYS  24           HA       LYS  24   6.705   2.052   0.009
  282   1HB   LYS  24          2HB       LYS  24   6.061   4.410   0.225
  283   2HB   LYS  24          3HB       LYS  24   7.231   4.614   1.517
  284   1HG   LYS  24          2HG       LYS  24   8.250   5.401  -0.427
  285   2HG   LYS  24          3HG       LYS  24   9.073   3.911  -0.115
  286   1HD   LYS  24          2HD       LYS  24   7.982   2.791  -1.940
  287   2HD   LYS  24          3HD       LYS  24   6.741   4.050  -2.064
  288   1HE   LYS  24          2HE       LYS  24   8.460   5.728  -2.684
  289   2HE   LYS  24          3HE       LYS  24   9.700   4.471  -2.627
  290   1HZ   LYS  24          1HZ       LYS  24   7.378   4.517  -4.469
  291   2HZ   LYS  24          2HZ       LYS  24   8.911   4.906  -4.871
  292   3HZ   LYS  24          3HZ       LYS  24   8.556   3.362  -4.449
  293    QB   LYS  24           QB       LYS  24   6.646   4.512   0.871
  294    QG   LYS  24           QG       LYS  24   8.661   4.656  -0.271
  295    QD   LYS  24           QD       LYS  24   7.361   3.421  -2.002
  296    QE   LYS  24           QE       LYS  24   9.080   5.100  -2.656
  297    QZ   LYS  24           QZ       LYS  24   8.282   4.262  -4.596
  298    CH2  TRP  25           CH2      TRP  25  12.219  -4.419   4.305
  299    H    TRP  25           HN       TRP  25   8.471   0.835  -0.034
  300    HA   TRP  25           HA       TRP  25   9.914   0.216   2.395
  301   1HB   TRP  25          2HB       TRP  25   9.336  -1.430   0.704
  302   2HB   TRP  25          3HB       TRP  25  10.405  -0.664  -0.469
  303    HD1  TRP  25           HD1      TRP  25  12.933  -1.149  -0.311
  304    HE1  TRP  25           HE1      TRP  25  14.464  -2.601   1.132
  305    HE3  TRP  25           HE3      TRP  25   9.477  -2.863   3.006
  306    HZ2  TRP  25           HZ2      TRP  25  14.209  -4.301   3.474
  307    HZ3  TRP  25           HZ3      TRP  25  10.133  -4.372   4.856
  308    HH2  TRP  25           HH2      TRP  25  12.497  -5.096   5.100
  309    QB   TRP  25           QB       TRP  25   9.870  -1.047   0.117
  310    H    LYS  26           HN       LYS  26  10.658   1.969  -0.606
  311    HA   LYS  26           HA       LYS  26  13.376   2.475  -0.100
  312   1HB   LYS  26          2HB       LYS  26  11.778   3.027  -2.201
  313   2HB   LYS  26          3HB       LYS  26  11.776   4.636  -1.450
  314   1HG   LYS  26          2HG       LYS  26  14.313   4.532  -1.447
  315   2HG   LYS  26          3HG       LYS  26  14.201   2.968  -2.249
  316   1HD   LYS  26          2HD       LYS  26  14.706   4.527  -3.919
  317   2HD   LYS  26          3HD       LYS  26  13.030   4.050  -4.191
  318   1HE   LYS  26          2HE       LYS  26  12.202   6.165  -3.699
  319   2HE   LYS  26          3HE       LYS  26  13.411   6.470  -2.447
  320   1HZ   LYS  26          1HZ       LYS  26  13.947   6.623  -5.340
  321   2HZ   LYS  26          2HZ       LYS  26  13.729   7.897  -4.324
  322   3HZ   LYS  26          3HZ       LYS  26  15.025   6.915  -4.131
  323    QB   LYS  26           QB       LYS  26  11.777   3.831  -1.826
  324    QG   LYS  26           QG       LYS  26  14.257   3.750  -1.848
  325    QD   LYS  26           QD       LYS  26  13.868   4.288  -4.055
  326    QE   LYS  26           QE       LYS  26  12.807   6.318  -3.073
  327    QZ   LYS  26           QZ       LYS  26  14.233   7.145  -4.598
  328    H    ALA  27           HN       ALA  27  10.548   3.803   1.382
  329    HA   ALA  27           HA       ALA  27  11.994   5.948   2.822
  330   1HB   ALA  27          1HB       ALA  27   9.778   6.404   1.768
  331   2HB   ALA  27          2HB       ALA  27   9.057   5.148   2.794
  332   3HB   ALA  27          3HB       ALA  27   9.752   6.597   3.534
  333    QB   ALA  27           QB       ALA  27   9.529   6.050   2.699
  334    H    LYS  28           HN       LYS  28  10.333   2.867   3.225
  335    HA   LYS  28           HA       LYS  28   9.996   1.403   4.774
  336   1HB   LYS  28          2HB       LYS  28  12.335   2.598   6.276
  337   2HB   LYS  28          3HB       LYS  28  11.371   1.253   6.869
  338   1HG   LYS  28          2HG       LYS  28  12.642  -0.186   5.768
  339   2HG   LYS  28          3HG       LYS  28  11.960   0.425   4.279
  340   1HD   LYS  28          2HD       LYS  28  14.285   0.582   3.966
  341   2HD   LYS  28          3HD       LYS  28  13.779   2.243   4.334
  342   1HE   LYS  28          2HE       LYS  28  14.417   1.804   6.777
  343   2HE   LYS  28          3HE       LYS  28  14.994   0.204   6.294
  344   1HZ   LYS  28          3HZ       LYS  28  16.607   1.308   4.876
  345   2HZ   LYS  28          1HZ       LYS  28  16.058   2.785   5.357
  346   3HZ   LYS  28          2HZ       LYS  28  16.769   1.779   6.443
  347    QB   LYS  28           QB       LYS  28  11.853   1.926   6.573
  348    QG   LYS  28           QG       LYS  28  12.301   0.120   5.023
  349    QD   LYS  28           QD       LYS  28  14.032   1.413   4.150
  350    QE   LYS  28           QE       LYS  28  14.706   1.004   6.536
  351    QZ   LYS  28           QZ       LYS  28  16.478   1.958   5.559
  352    H    GLN  29           HN       GLN  29   8.030   2.964   4.628
  353    HA   GLN  29           HA       GLN  29   7.086   3.055   7.332
  354   1HB   GLN  29          2HB       GLN  29   8.335   5.477   6.354
  355   2HB   GLN  29          3HB       GLN  29   6.603   5.784   6.463
  356   1HG   GLN  29          2HG       GLN  29   6.552   5.225   8.801
  357   2HG   GLN  29          3HG       GLN  29   8.160   4.489   8.739
  358   1HE2  GLN  29          2HE2      GLN  29   8.263   8.581   8.386
  359   2HE2  GLN  29          1HE2      GLN  29   7.125   7.684   7.395
  360    QB   GLN  29           QB       GLN  29   7.469   5.630   6.409
  361    QG   GLN  29           QG       GLN  29   7.356   4.857   8.770
  362    QE2  GLN  29           QE2      GLN  29   7.694   8.133   7.890
  363    H    CYS  30           HN       CYS  30   4.845   3.606   7.554
  364    HA   CYS  30           HA       CYS  30   3.248   2.719   5.268
  365   1HB   CYS  30          2HB       CYS  30   2.521   3.493   8.103
  366   2HB   CYS  30          3HB       CYS  30   1.352   2.942   6.912
  367    QB   CYS  30           QB       CYS  30   1.936   3.218   7.507
  368    H    LEU  31           HN       LEU  31   1.946   4.019   4.016
  369    HA   LEU  31           HA       LEU  31   1.672   6.893   4.689
  370   1HB   LEU  31          2HB       LEU  31   2.662   5.734   2.047
  371   2HB   LEU  31          3HB       LEU  31   2.377   7.443   2.361
  372    HG   LEU  31           HG       LEU  31   4.549   5.724   3.652
  373   1HD1  LEU  31          3HD1      LEU  31   4.855   6.172   1.232
  374   2HD1  LEU  31          1HD1      LEU  31   4.705   7.913   1.537
  375   3HD1  LEU  31          2HD1      LEU  31   6.068   7.005   2.221
  376   1HD2  LEU  31          2HD2      LEU  31   4.050   8.739   3.810
  377   2HD2  LEU  31          3HD2      LEU  31   3.896   7.602   5.161
  378   3HD2  LEU  31          1HD2      LEU  31   5.479   7.882   4.431
  379    QB   LEU  31           QB       LEU  31   2.519   6.588   2.204
  380    QD1  LEU  31           QD1      LEU  31   5.209   7.030   1.663
  381    QD2  LEU  31           QD2      LEU  31   4.475   8.074   4.467
  382    QQD  LEU  31           QQD      LEU  31   4.842   7.552   3.065
  383    HA   PRO  32           HA       PRO  32  -2.375   6.100   2.755
  384   1HB   PRO  32          2HB       PRO  32  -3.184   8.653   2.251
  385   2HB   PRO  32          3HB       PRO  32  -3.117   8.007   3.905
  386   1HG   PRO  32          2HG       PRO  32  -1.049   9.704   2.491
  387   2HG   PRO  32          3HG       PRO  32  -1.716   9.931   4.134
  388   1HD   PRO  32          2HD       PRO  32   0.673   8.693   3.669
  389   2HD   PRO  32          3HD       PRO  32  -0.403   8.158   4.994
  390    QB   PRO  32           QB       PRO  32  -3.151   8.330   3.078
  391    QG   PRO  32           QG       PRO  32  -1.382   9.818   3.313
  392    QD   PRO  32           QD       PRO  32   0.135   8.425   4.331
  393    H    PHE  33           HN       PHE  33  -3.299   6.192   0.585
  394    HA   PHE  33           HA       PHE  33  -2.310   7.990  -1.374
  395   1HB   PHE  33          2HB       PHE  33  -1.116   6.655  -2.826
  396   2HB   PHE  33          3HB       PHE  33  -0.450   6.154  -1.299
  397    HD1  PHE  33          2HD       PHE  33  -1.853   4.023  -0.163
  398    HD2  PHE  33          1HD       PHE  33  -1.904   5.100  -4.287
  399    HE1  PHE  33          2HE       PHE  33  -2.126   1.631  -0.780
  400    HE2  PHE  33          1HE       PHE  33  -2.090   2.689  -4.925
  401    HZ   PHE  33           HZ       PHE  33  -2.164   0.955  -3.164
  402    QB   PHE  33           QB       PHE  33  -0.783   6.404  -2.063
  403    QR   PHE  33           QR       PHE  33  -1.993   3.361  -2.539
  404    H    ASP  34           HN       ASP  34  -3.291   6.983  -3.722
  405    HA   ASP  34           HA       ASP  34  -6.021   5.936  -3.118
  406   1HB   ASP  34          2HB       ASP  34  -4.989   7.999  -5.124
  407   2HB   ASP  34          3HB       ASP  34  -6.380   6.975  -5.498
  408    QB   ASP  34           QB       ASP  34  -5.684   7.487  -5.311
  409    OH   TYR  35           OH       TYR  35  -5.192  -3.410  -7.076
  410    H    TYR  35           HN       TYR  35  -6.016   3.896  -3.610
  411    HA   TYR  35           HA       TYR  35  -4.228   2.691  -5.598
  412   1HB   TYR  35          2HB       TYR  35  -4.846   1.527  -3.484
  413   2HB   TYR  35          3HB       TYR  35  -6.551   1.649  -3.918
  414    HD1  TYR  35           HD1      TYR  35  -3.424   0.538  -5.721
  415    HD2  TYR  35           HD2      TYR  35  -7.412  -0.481  -4.430
  416    HE1  TYR  35           HE1      TYR  35  -3.321  -1.538  -7.044
  417    HE2  TYR  35           HE2      TYR  35  -7.146  -2.725  -5.487
  418    HH   TYR  35           HH       TYR  35  -4.650  -3.274  -7.863
  419    QB   TYR  35           QB       TYR  35  -5.699   1.588  -3.701
  420    QR   TYR  35           QR       TYR  35  -5.326  -1.052  -5.670
  421    H    SER  36           HN       SER  36  -5.059   1.596  -7.537
  422    HA   SER  36           HA       SER  36  -7.403   2.905  -8.694
  423   1HB   SER  36          2HB       SER  36  -7.029   1.572 -10.586
  424   2HB   SER  36          3HB       SER  36  -5.464   2.231 -10.075
  425    HG   SER  36           HG       SER  36  -4.863   0.229  -9.387
  426    QB   SER  36           QB       SER  36  -6.246   1.902 -10.330
  427    H    GLY  37           HN       GLY  37  -6.689  -0.518  -8.344
  428   1HA   GLY  37          1HA       GLY  37  -8.797  -1.629  -6.880
  429   2HA   GLY  37          2HA       GLY  37  -9.498  -1.180  -8.439
  430    QA   GLY  37           QA       GLY  37  -9.148  -1.404  -7.660
  431    H    CYS  38           HN       CYS  38  -6.887  -1.569  -9.880
  432    HA   CYS  38           HA       CYS  38  -7.145  -4.537 -10.224
  433   1HB   CYS  38          2HB       CYS  38  -6.246  -2.419 -12.181
  434   2HB   CYS  38          3HB       CYS  38  -6.587  -4.095 -12.569
  435    QB   CYS  38           QB       CYS  38  -6.416  -3.257 -12.375
  436    H    GLY  39           HN       GLY  39  -5.122  -5.550 -11.045
  437   1HA   GLY  39          1HA       GLY  39  -2.921  -6.153 -10.622
  438   2HA   GLY  39          2HA       GLY  39  -2.701  -4.675 -11.561
  439    QA   GLY  39           QA       GLY  39  -2.811  -5.414 -11.091
  440    H    GLY  40           HN       GLY  40  -3.579  -5.323  -8.121
  441   1HA   GLY  40          1HA       GLY  40  -1.645  -3.270  -7.221
  442   2HA   GLY  40          2HA       GLY  40  -2.848  -4.054  -6.236
  443    QA   GLY  40           QA       GLY  40  -2.246  -3.662  -6.728
  444    H    ASN  41           HN       ASN  41  -1.422  -4.663  -4.604
  445    HA   ASN  41           HA       ASN  41  -0.088  -7.200  -5.039
  446   1HB   ASN  41          2HB       ASN  41   1.999  -6.411  -3.995
  447   2HB   ASN  41          3HB       ASN  41   1.707  -5.599  -5.527
  448   1HD2  ASN  41          2HD2      ASN  41   2.544  -2.619  -3.774
  449   2HD2  ASN  41          1HD2      ASN  41   3.069  -3.844  -4.905
  450    QB   ASN  41           QB       ASN  41   1.853  -6.005  -4.761
  451    QD2  ASN  41           QD2      ASN  41   2.806  -3.231  -4.339
  452    H    ALA  42           HN       ALA  42   0.968  -7.565  -2.582
  453    HA   ALA  42           HA       ALA  42  -1.368  -7.610  -0.824
  454   1HB   ALA  42          2HB       ALA  42   1.507  -8.513  -0.444
  455   2HB   ALA  42          3HB       ALA  42   0.193  -8.809   0.706
  456   3HB   ALA  42          1HB       ALA  42   0.137  -9.528  -0.915
  457    QB   ALA  42           QB       ALA  42   0.613  -8.950  -0.218
  458    H    ASN  43           HN       ASN  43   1.085  -5.268  -1.409
  459    HA   ASN  43           HA       ASN  43   1.353  -4.358   1.377
  460   1HB   ASN  43          2HB       ASN  43   3.255  -4.397  -0.376
  461   2HB   ASN  43          3HB       ASN  43   2.437  -3.025  -1.138
  462   1HD2  ASN  43          2HD2      ASN  43   4.914  -1.430   0.949
  463   2HD2  ASN  43          1HD2      ASN  43   4.915  -2.436  -0.452
  464    QB   ASN  43           QB       ASN  43   2.846  -3.711  -0.757
  465    QD2  ASN  43           QD2      ASN  43   4.914  -1.933   0.248
  466    NH1  ARG  44           NH2      ARG  44  -6.852  -2.879  -1.758
  467    NH2  ARG  44           NH1      ARG  44  -6.159  -4.778  -2.898
  468    H    ARG  44           HN       ARG  44  -1.193  -4.222   1.159
  469    HA   ARG  44           HA       ARG  44  -1.891  -1.387   0.667
  470   1HB   ARG  44          2HB       ARG  44  -2.061  -2.528  -1.561
  471   2HB   ARG  44          3HB       ARG  44  -3.299  -3.584  -0.855
  472   1HG   ARG  44          2HG       ARG  44  -4.688  -1.579  -0.322
  473   2HG   ARG  44          3HG       ARG  44  -3.400  -0.515  -0.875
  474   1HD   ARG  44          2HD       ARG  44  -5.234  -0.827  -2.536
  475   2HD   ARG  44          3HD       ARG  44  -3.620  -1.207  -3.135
  476    HE   ARG  44           HE       ARG  44  -4.135  -3.392  -3.424
  477   1HH1  ARG  44          2HH2      ARG  44  -6.664  -1.930  -1.464
  478   2HH1  ARG  44          1HH2      ARG  44  -7.710  -3.318  -1.465
  479   1HH2  ARG  44          2HH1      ARG  44  -5.463  -5.269  -3.441
  480   2HH2  ARG  44          1HH1      ARG  44  -6.999  -5.273  -2.640
  481    QB   ARG  44           QB       ARG  44  -2.680  -3.056  -1.208
  482    QG   ARG  44           QG       ARG  44  -4.044  -1.047  -0.599
  483    QD   ARG  44           QD       ARG  44  -4.427  -1.017  -2.836
  484    QH1  ARG  44           QH2      ARG  44  -7.187  -2.624  -1.465
  485    QH2  ARG  44           QH1      ARG  44  -6.231  -5.271  -3.041
  486    H    PHE  45           HN       PHE  45  -3.140  -0.816   2.265
  487    HA   PHE  45           HA       PHE  45  -4.658  -2.762   3.975
  488   1HB   PHE  45          2HB       PHE  45  -2.834  -0.479   4.782
  489   2HB   PHE  45          3HB       PHE  45  -3.684  -1.581   5.847
  490    HD1  PHE  45          2HD       PHE  45  -3.079  -4.063   5.809
  491    HD2  PHE  45          1HD       PHE  45  -0.751  -1.194   3.641
  492    HE1  PHE  45          2HE       PHE  45  -1.075  -5.468   6.150
  493    HE2  PHE  45          1HE       PHE  45   1.239  -2.676   3.812
  494    HZ   PHE  45           HZ       PHE  45   1.113  -4.766   5.148
  495    QB   PHE  45           QB       PHE  45  -3.259  -1.030   5.314
  496    QR   PHE  45           QR       PHE  45  -0.917  -3.350   4.853
  497    H    LYS  46           HN       LYS  46  -6.434  -1.836   5.016
  498    HA   LYS  46           HA       LYS  46  -7.632   0.448   3.513
  499   1HB   LYS  46          2HB       LYS  46  -8.785  -1.461   5.578
  500   2HB   LYS  46          3HB       LYS  46  -9.628  -0.058   4.887
  501   1HG   LYS  46          2HG       LYS  46  -9.354  -0.985   2.601
  502   2HG   LYS  46          3HG       LYS  46  -8.459  -2.358   3.263
  503   1HD   LYS  46          2HD       LYS  46 -10.678  -3.092   2.795
  504   2HD   LYS  46          3HD       LYS  46 -10.451  -3.060   4.553
  505   1HE   LYS  46          2HE       LYS  46 -11.699  -0.890   4.665
  506   2HE   LYS  46          3HE       LYS  46 -11.868  -0.892   2.901
  507   1HZ   LYS  46          2HZ       LYS  46 -13.181  -2.898   3.110
  508   2HZ   LYS  46          3HZ       LYS  46 -13.005  -2.887   4.748
  509   3HZ   LYS  46          1HZ       LYS  46 -13.833  -1.681   4.003
  510    QB   LYS  46           QB       LYS  46  -9.207  -0.759   5.232
  511    QG   LYS  46           QG       LYS  46  -8.907  -1.671   2.932
  512    QD   LYS  46           QD       LYS  46 -10.564  -3.076   3.674
  513    QE   LYS  46           QE       LYS  46 -11.784  -0.891   3.783
  514    QZ   LYS  46           QZ       LYS  46 -13.340  -2.489   3.954
  515    H    THR  47           HN       THR  47  -5.857  -0.292   6.430
  516    HA   THR  47           HA       THR  47  -6.255   2.579   7.244
  517    HB   THR  47           HB       THR  47  -6.419   2.049   9.556
  518    HG1  THR  47          1HG       THR  47  -6.337  -0.649   8.731
  519   1HG2  THR  47          2HG2      THR  47  -8.566   2.029   8.277
  520   2HG2  THR  47          3HG2      THR  47  -8.409   0.271   8.063
  521   3HG2  THR  47          1HG2      THR  47  -8.589   0.951   9.686
  522    QG2  THR  47           QG2      THR  47  -8.521   1.084   8.676
  523    H    ILE  48           HN       ILE  48  -4.583   3.599   8.200
  524    HA   ILE  48           HA       ILE  48  -1.945   2.722   7.626
  525    HB   ILE  48           HB       ILE  48  -2.959   5.096   8.187
  526   1HG1  ILE  48          2HG1      ILE  48  -0.632   4.570   7.428
  527   2HG1  ILE  48          3HG1      ILE  48  -0.987   6.107   8.222
  528   1HG2  ILE  48          2HG2      ILE  48  -3.716   4.629  10.429
  529   2HG2  ILE  48          3HG2      ILE  48  -2.046   4.364  10.967
  530   3HG2  ILE  48          1HG2      ILE  48  -2.546   5.961  10.385
  531   1HD1  ILE  48          2HD1      ILE  48   0.232   3.704   9.589
  532   2HD1  ILE  48          3HD1      ILE  48   1.091   5.153   9.000
  533   3HD1  ILE  48          1HD1      ILE  48  -0.085   5.307  10.319
  534    QG1  ILE  48           QG1      ILE  48  -0.810   5.338   7.825
  535    QG2  ILE  48           QG2      ILE  48  -2.769   4.985  10.594
  536    QD1  ILE  48           QD1      ILE  48   0.413   4.721   9.636
  537    H    GLU  49           HN       GLU  49  -3.999   2.290  10.497
  538    HA   GLU  49           HA       GLU  49  -1.801   1.340  12.113
  539   1HB   GLU  49          2HB       GLU  49  -4.808   1.108  12.463
  540   2HB   GLU  49          3HB       GLU  49  -3.610   0.596  13.664
  541   1HG   GLU  49          2HG       GLU  49  -3.861   3.449  12.584
  542   2HG   GLU  49          3HG       GLU  49  -4.468   2.864  14.136
  543    QB   GLU  49           QB       GLU  49  -4.209   0.852  13.063
  544    QG   GLU  49           QG       GLU  49  -4.164   3.156  13.360
  545    H    GLU  50           HN       GLU  50  -4.193  -0.292  10.026
  546    HA   GLU  50           HA       GLU  50  -3.394  -2.969  10.597
  547   1HB   GLU  50          2HB       GLU  50  -5.396  -2.232   9.371
  548   2HB   GLU  50          3HB       GLU  50  -4.356  -1.629   8.061
  549   1HG   GLU  50          2HG       GLU  50  -3.747  -4.179   7.832
  550   2HG   GLU  50          3HG       GLU  50  -5.147  -4.432   8.866
  551    QB   GLU  50           QB       GLU  50  -4.876  -1.930   8.716
  552    QG   GLU  50           QG       GLU  50  -4.447  -4.305   8.349
  553    H    CYS  51           HN       CYS  51  -2.168  -0.626   8.117
  554    HA   CYS  51           HA       CYS  51  -0.042  -2.277   7.193
  555   1HB   CYS  51          2HB       CYS  51  -0.637  -0.208   5.986
  556   2HB   CYS  51          3HB       CYS  51  -0.105   0.786   7.338
  557    QB   CYS  51           QB       CYS  51  -0.371   0.289   6.662
  558    NH1  ARG  52           NH2      ARG  52   2.557   3.907  15.040
  559    NH2  ARG  52           NH1      ARG  52   0.613   4.957  14.360
  560    H    ARG  52           HN       ARG  52   0.006   0.235   9.681
  561    HA   ARG  52           HA       ARG  52   2.630   0.102  10.494
  562   1HB   ARG  52          2HB       ARG  52   0.718   1.644  11.363
  563   2HB   ARG  52          3HB       ARG  52   0.258   0.313  12.416
  564   1HG   ARG  52          2HG       ARG  52   1.631   1.303  13.902
  565   2HG   ARG  52          3HG       ARG  52   2.898   0.448  13.055
  566   1HD   ARG  52          2HD       ARG  52   3.701   2.686  13.003
  567   2HD   ARG  52          3HD       ARG  52   2.912   2.551  11.448
  568    HE   ARG  52           HE       ARG  52   1.102   3.878  12.164
  569   1HH1  ARG  52          2HH2      ARG  52   3.240   3.184  14.869
  570   2HH1  ARG  52          1HH2      ARG  52   2.484   4.306  15.963
  571   1HH2  ARG  52          2HH1      ARG  52  -0.273   4.699  13.906
  572   2HH2  ARG  52          1HH1      ARG  52   0.541   5.502  15.202
  573    QB   ARG  52           QB       ARG  52   0.488   0.979  11.890
  574    QG   ARG  52           QG       ARG  52   2.264   0.876  13.478
  575    QD   ARG  52           QD       ARG  52   3.307   2.619  12.225
  576    QH1  ARG  52           QH2      ARG  52   2.862   3.745  15.416
  577    QH2  ARG  52           QH1      ARG  52   0.134   5.101  14.554
  578    NH1  ARG  53           NH2      ARG  53  -2.290  -2.790  17.798
  579    NH2  ARG  53           NH1      ARG  53  -0.306  -1.624  18.122
  580    H    ARG  53           HN       ARG  53  -0.096  -1.865  11.748
  581    HA   ARG  53           HA       ARG  53   1.695  -3.185  13.602
  582   1HB   ARG  53          2HB       ARG  53  -0.640  -2.702  14.062
  583   2HB   ARG  53          3HB       ARG  53  -1.170  -3.865  12.839
  584   1HG   ARG  53          2HG       ARG  53  -0.616  -5.698  14.138
  585   2HG   ARG  53          3HG       ARG  53   0.789  -4.913  14.881
  586   1HD   ARG  53          2HD       ARG  53  -2.062  -4.155  15.502
  587   2HD   ARG  53          3HD       ARG  53  -1.102  -5.297  16.477
  588    HE   ARG  53           HE       ARG  53   0.578  -3.096  16.315
  589   1HH1  ARG  53          2HH2      ARG  53  -2.797  -3.511  17.306
  590   2HH1  ARG  53          1HH2      ARG  53  -2.783  -2.235  18.481
  591   1HH2  ARG  53          2HH1      ARG  53   0.659  -1.479  17.843
  592   2HH2  ARG  53          1HH1      ARG  53  -0.717  -1.044  18.836
  593    QB   ARG  53           QB       ARG  53  -0.905  -3.284  13.451
  594    QG   ARG  53           QG       ARG  53   0.086  -5.306  14.509
  595    QD   ARG  53           QD       ARG  53  -1.582  -4.726  15.989
  596    QH1  ARG  53           QH2      ARG  53  -2.790  -2.873  17.894
  597    QH2  ARG  53           QH1      ARG  53  -0.029  -1.261  18.339
  598    H    THR  54           HN       THR  54   0.702  -3.830  10.312
  599    HA   THR  54           HA       THR  54   1.558  -6.602  10.319
  600    HB   THR  54           HB       THR  54   1.165  -4.627   8.034
  601    HG1  THR  54          1HG       THR  54  -0.728  -4.992   9.162
  602   1HG2  THR  54          3HG2      THR  54   1.443  -7.665   8.101
  603   2HG2  THR  54          1HG2      THR  54   0.881  -6.731   6.705
  604   3HG2  THR  54          2HG2      THR  54   2.535  -6.513   7.293
  605    QG2  THR  54           QG2      THR  54   1.620  -6.970   7.366
  606    H    CYS  55           HN       CYS  55   3.133  -3.469   9.393
  607    HA   CYS  55           HA       CYS  55   5.576  -5.068   8.660
  608   1HB   CYS  55          2HB       CYS  55   4.381  -3.781   6.969
  609   2HB   CYS  55          3HB       CYS  55   4.878  -2.283   7.746
  610    QB   CYS  55           QB       CYS  55   4.629  -3.032   7.357
  611    H    VAL  56           HN       VAL  56   4.582  -2.348  10.565
  612    HA   VAL  56           HA       VAL  56   7.151  -2.183  12.062
  613    HB   VAL  56           HB       VAL  56   4.757  -0.321  12.286
  614   1HG1  VAL  56          3HG1      VAL  56   7.651  -0.140  13.177
  615   2HG1  VAL  56          1HG1      VAL  56   6.686   1.315  12.911
  616   3HG1  VAL  56          2HG1      VAL  56   6.172   0.178  14.124
  617   1HG2  VAL  56          1HG2      VAL  56   7.136   0.046  10.444
  618   2HG2  VAL  56          2HG2      VAL  56   5.434  -0.138   9.949
  619   3HG2  VAL  56          3HG2      VAL  56   5.934   1.291  10.831
  620    QG1  VAL  56           QG1      VAL  56   6.836   0.451  13.404
  621    QG2  VAL  56           QG2      VAL  56   6.168   0.400  10.408
  622    QQG  VAL  56           QQG      VAL  56   6.502   0.425  11.906
  623    H    GLY  57           HN       GLY  57   5.835  -1.552  14.539
  624   1HA   GLY  57          1HA       GLY  57   4.213  -3.980  15.201
  625   2HA   GLY  57          2HA       GLY  57   5.096  -2.966  16.348
  626    QA   GLY  57           QA       GLY  57   4.655  -3.473  15.774
   
  Start of MODEL           6
 Raw file had  626 H/Q atoms
  Start of MODEL    6
    1    H    ALA   1           HN       ALA   1   8.584  -7.230  11.004
    2    HA   ALA   1           HA       ALA   1   7.012  -6.344   9.297
    3   1HB   ALA   1          2HB       ALA   1   9.338  -5.479   9.380
    4   2HB   ALA   1          3HB       ALA   1   9.878  -6.830   8.356
    5   3HB   ALA   1          1HB       ALA   1   8.771  -5.609   7.706
    6    QB   ALA   1           QB       ALA   1   9.329  -5.972   8.481
    7    H    ALA   2           HN       ALA   2   6.142  -6.677   7.081
    8    HA   ALA   2           HA       ALA   2   5.959  -9.540   6.459
    9   1HB   ALA   2          2HB       ALA   2   4.510  -7.107   5.366
   10   2HB   ALA   2          3HB       ALA   2   4.337  -8.736   4.707
   11   3HB   ALA   2          1HB       ALA   2   3.909  -8.406   6.392
   12    QB   ALA   2           QB       ALA   2   4.252  -8.083   5.489
   13    H    LYS   3           HN       LYS   3   6.138 -10.336   4.243
   14    HA   LYS   3           HA       LYS   3   8.723  -9.669   3.119
   15   1HB   LYS   3          2HB       LYS   3   7.430 -11.940   3.322
   16   2HB   LYS   3          3HB       LYS   3   6.743 -11.523   1.763
   17   1HG   LYS   3          2HG       LYS   3   9.755 -11.470   2.296
   18   2HG   LYS   3          3HG       LYS   3   8.921 -12.967   1.954
   19   1HD   LYS   3          2HD       LYS   3   8.320 -10.814  -0.020
   20   2HD   LYS   3          3HD       LYS   3  10.026 -11.281   0.061
   21   1HE   LYS   3          2HE       LYS   3   9.444 -13.664  -0.237
   22   2HE   LYS   3          3HE       LYS   3   7.719 -13.259  -0.286
   23   1HZ   LYS   3          2HZ       LYS   3   9.749 -12.367  -2.239
   24   2HZ   LYS   3          3HZ       LYS   3   8.669 -13.582  -2.461
   25   3HZ   LYS   3          1HZ       LYS   3   8.134 -12.037  -2.309
   26    QB   LYS   3           QB       LYS   3   7.086 -11.732   2.542
   27    QG   LYS   3           QG       LYS   3   9.338 -12.218   2.125
   28    QD   LYS   3           QD       LYS   3   9.173 -11.047   0.021
   29    QE   LYS   3           QE       LYS   3   8.581 -13.461  -0.262
   30    QZ   LYS   3           QZ       LYS   3   8.851 -12.662  -2.336
   31    OH   TYR   4           OH       TYR   4   0.810  -8.794   5.216
   32    H    TYR   4           HN       TYR   4   5.375  -9.664   1.933
   33    HA   TYR   4           HA       TYR   4   5.763  -8.164  -0.430
   34   1HB   TYR   4          2HB       TYR   4   3.324  -7.708  -0.245
   35   2HB   TYR   4          3HB       TYR   4   3.780  -9.407  -0.101
   36    HD1  TYR   4           HD2      TYR   4   2.732  -6.389   1.867
   37    HD2  TYR   4           HD1      TYR   4   3.097 -10.691   1.785
   38    HE1  TYR   4           HE2      TYR   4   1.422  -6.545   3.945
   39    HE2  TYR   4           HE1      TYR   4   1.780 -10.832   3.878
   40    HH   TYR   4           HH       TYR   4   0.384  -7.974   5.473
   41    QB   TYR   4           QB       TYR   4   3.552  -8.557  -0.173
   42    QR   TYR   4           QR       TYR   4   2.258  -8.614   2.869
   43    H    CYS   5           HN       CYS   5   5.793  -7.066   2.843
   44    HA   CYS   5           HA       CYS   5   5.111  -4.352   2.599
   45   1HB   CYS   5          2HB       CYS   5   5.818  -5.601   4.693
   46   2HB   CYS   5          3HB       CYS   5   7.505  -5.343   4.202
   47    QB   CYS   5           QB       CYS   5   6.662  -5.472   4.447
   48    H    LYS   6           HN       LYS   6   7.899  -6.067   1.348
   49    HA   LYS   6           HA       LYS   6   9.584  -3.810   0.761
   50   1HB   LYS   6          2HB       LYS   6   9.498  -6.683  -0.140
   51   2HB   LYS   6          3HB       LYS   6  10.440  -5.507  -1.040
   52   1HG   LYS   6          2HG       LYS   6  11.917  -6.530   0.523
   53   2HG   LYS   6          3HG       LYS   6  11.692  -4.829   0.895
   54   1HD   LYS   6          2HD       LYS   6  11.618  -5.662   2.997
   55   2HD   LYS   6          3HD       LYS   6   9.893  -5.743   2.646
   56   1HE   LYS   6          2HE       LYS   6  10.316  -8.197   1.965
   57   2HE   LYS   6          3HE       LYS   6  11.972  -7.987   2.540
   58   1HZ   LYS   6          3HZ       LYS   6  11.067  -7.419   4.717
   59   2HZ   LYS   6          1HZ       LYS   6   9.531  -7.699   4.192
   60   3HZ   LYS   6          2HZ       LYS   6  10.619  -8.924   4.255
   61    QB   LYS   6           QB       LYS   6   9.969  -6.095  -0.590
   62    QG   LYS   6           QG       LYS   6  11.805  -5.679   0.709
   63    QD   LYS   6           QD       LYS   6  10.756  -5.703   2.821
   64    QE   LYS   6           QE       LYS   6  11.144  -8.092   2.252
   65    QZ   LYS   6           QZ       LYS   6  10.406  -8.014   4.388
   66    H    LEU   7           HN       LEU   7   6.636  -4.943  -0.828
   67    HA   LEU   7           HA       LEU   7   7.397  -4.249  -3.456
   68   1HB   LEU   7          2HB       LEU   7   4.677  -4.524  -2.170
   69   2HB   LEU   7          3HB       LEU   7   4.943  -4.357  -3.901
   70    HG   LEU   7           HG       LEU   7   6.369  -6.586  -2.435
   71   1HD1  LEU   7          2HD1      LEU   7   3.682  -6.521  -2.125
   72   2HD1  LEU   7          3HD1      LEU   7   3.792  -7.220  -3.757
   73   3HD1  LEU   7          1HD1      LEU   7   4.594  -8.024  -2.431
   74   1HD2  LEU   7          3HD2      LEU   7   5.222  -6.233  -5.253
   75   2HD2  LEU   7          1HD2      LEU   7   6.950  -6.178  -4.807
   76   3HD2  LEU   7          2HD2      LEU   7   6.026  -7.699  -4.657
   77    QB   LEU   7           QB       LEU   7   4.810  -4.440  -3.036
   78    QD1  LEU   7           QD1      LEU   7   4.023  -7.255  -2.771
   79    QD2  LEU   7           QD2      LEU   7   6.066  -6.703  -4.906
   80    QQD  LEU   7           QQD      LEU   7   5.044  -6.979  -3.838
   81    HA   PRO   8           HA       PRO   8   7.012   0.177  -3.123
   82   1HB   PRO   8          2HB       PRO   8   7.326   0.925  -5.732
   83   2HB   PRO   8          3HB       PRO   8   8.594   0.048  -4.837
   84   1HG   PRO   8          2HG       PRO   8   6.471  -1.159  -6.646
   85   2HG   PRO   8          3HG       PRO   8   8.249  -1.350  -6.775
   86   1HD   PRO   8          2HD       PRO   8   6.732  -3.192  -5.447
   87   2HD   PRO   8          3HD       PRO   8   8.337  -2.686  -4.824
   88    QB   PRO   8           QB       PRO   8   7.960   0.487  -5.284
   89    QG   PRO   8           QG       PRO   8   7.360  -1.255  -6.711
   90    QD   PRO   8           QD       PRO   8   7.534  -2.939  -5.136
   91    H    LEU   9           HN       LEU   9   5.901   2.037  -4.658
   92    HA   LEU   9           HA       LEU   9   3.177   1.870  -3.878
   93   1HB   LEU   9          2HB       LEU   9   4.418   3.972  -3.835
   94   2HB   LEU   9          3HB       LEU   9   4.577   3.962  -5.590
   95    HG   LEU   9           HG       LEU   9   2.221   4.246  -5.911
   96   1HD1  LEU   9          1HD1      LEU   9   1.958   3.560  -2.981
   97   2HD1  LEU   9          2HD1      LEU   9   0.740   4.549  -3.739
   98   3HD1  LEU   9          3HD1      LEU   9   1.065   2.917  -4.350
   99   1HD2  LEU   9          3HD2      LEU   9   3.562   6.270  -5.273
  100   2HD2  LEU   9          1HD2      LEU   9   1.837   6.406  -4.866
  101   3HD2  LEU   9          2HD2      LEU   9   3.022   6.053  -3.585
  102    QB   LEU   9           QB       LEU   9   4.498   3.967  -4.712
  103    QD1  LEU   9           QD1      LEU   9   1.254   3.675  -3.690
  104    QD2  LEU   9           QD2      LEU   9   2.807   6.243  -4.574
  105    QQD  LEU   9           QQD      LEU   9   2.031   4.959  -4.132
  106    NH1  ARG  10           NH2      ARG  10   1.100  -2.045 -11.260
  107    NH2  ARG  10           NH1      ARG  10   1.767  -4.062 -12.179
  108    H    ARG  10           HN       ARG  10   2.505   0.053  -4.949
  109    HA   ARG  10           HA       ARG  10   2.289   0.101  -7.854
  110   1HB   ARG  10          2HB       ARG  10   3.095  -1.793  -6.364
  111   2HB   ARG  10          3HB       ARG  10   1.455  -1.922  -5.758
  112   1HG   ARG  10          2HG       ARG  10   1.716  -3.656  -7.387
  113   2HG   ARG  10          3HG       ARG  10   0.691  -2.423  -8.125
  114   1HD   ARG  10          2HD       ARG  10   2.767  -1.534  -9.324
  115   2HD   ARG  10          3HD       ARG  10   3.694  -2.800  -8.543
  116    HE   ARG  10           HE       ARG  10   2.785  -4.431  -9.903
  117   1HH1  ARG  10          2HH2      ARG  10   0.868  -1.567 -10.402
  118   2HH1  ARG  10          1HH2      ARG  10   0.656  -1.760 -12.117
  119   1HH2  ARG  10          2HH1      ARG  10   2.266  -4.937 -12.110
  120   2HH2  ARG  10          1HH1      ARG  10   1.295  -3.849 -13.045
  121    QB   ARG  10           QB       ARG  10   2.275  -1.857  -6.061
  122    QG   ARG  10           QG       ARG  10   1.204  -3.040  -7.756
  123    QD   ARG  10           QD       ARG  10   3.230  -2.167  -8.934
  124    QH1  ARG  10           QH2      ARG  10   0.762  -1.664 -11.260
  125    QH2  ARG  10           QH1      ARG  10   1.781  -4.393 -12.578
  126    H    ILE  11           HN       ILE  11   0.770   1.814  -8.080
  127    HA   ILE  11           HA       ILE  11  -1.880   1.711  -6.931
  128    HB   ILE  11           HB       ILE  11  -0.795   3.302  -9.296
  129   1HG1  ILE  11          2HG1      ILE  11   0.525   3.752  -7.281
  130   2HG1  ILE  11          3HG1      ILE  11  -0.515   5.126  -7.646
  131   1HG2  ILE  11          1HG2      ILE  11  -3.377   3.536  -7.698
  132   2HG2  ILE  11          2HG2      ILE  11  -2.685   4.899  -8.598
  133   3HG2  ILE  11          3HG2      ILE  11  -3.164   3.426  -9.450
  134   1HD1  ILE  11          1HD1      ILE  11  -2.172   4.381  -6.059
  135   2HD1  ILE  11          2HD1      ILE  11  -1.003   3.158  -5.468
  136   3HD1  ILE  11          3HD1      ILE  11  -0.637   4.902  -5.373
  137    QG1  ILE  11           QG1      ILE  11   0.005   4.439  -7.464
  138    QG2  ILE  11           QG2      ILE  11  -3.075   3.954  -8.582
  139    QD1  ILE  11           QD1      ILE  11  -1.271   4.147  -5.633
  140    H    GLY  12           HN       GLY  12  -0.532   0.868 -10.090
  141   1HA   GLY  12          1HA       GLY  12  -1.403  -1.028 -11.354
  142   2HA   GLY  12          2HA       GLY  12  -3.027  -0.657 -10.768
  143    QA   GLY  12           QA       GLY  12  -2.215  -0.842 -11.061
  144    HA   PRO  13           HA       PRO  13  -2.248   1.903 -14.611
  145   1HB   PRO  13          2HB       PRO  13  -3.054   0.372 -16.683
  146   2HB   PRO  13          3HB       PRO  13  -1.429   0.194 -15.973
  147   1HG   PRO  13          2HG       PRO  13  -3.885  -1.471 -15.357
  148   2HG   PRO  13          3HG       PRO  13  -2.257  -2.055 -15.814
  149   1HD   PRO  13          2HD       PRO  13  -3.062  -1.850 -13.189
  150   2HD   PRO  13          3HD       PRO  13  -1.373  -1.528 -13.693
  151    QB   PRO  13           QB       PRO  13  -2.242   0.283 -16.328
  152    QG   PRO  13           QG       PRO  13  -3.071  -1.763 -15.586
  153    QD   PRO  13           QD       PRO  13  -2.218  -1.689 -13.441
  154    H    CYS  14           HN       CYS  14  -4.897   0.583 -12.716
  155    HA   CYS  14           HA       CYS  14  -6.878   1.401 -14.753
  156   1HB   CYS  14          2HB       CYS  14  -6.828  -0.139 -12.254
  157   2HB   CYS  14          3HB       CYS  14  -8.279   0.748 -12.567
  158    QB   CYS  14           QB       CYS  14  -7.553   0.304 -12.411
  159    H    LYS  15           HN       LYS  15  -8.650   2.771 -14.041
  160    HA   LYS  15           HA       LYS  15  -7.261   5.268 -13.145
  161   1HB   LYS  15          2HB       LYS  15  -8.382   6.441 -14.834
  162   2HB   LYS  15          3HB       LYS  15  -7.591   5.037 -15.547
  163   1HG   LYS  15          2HG       LYS  15  -9.828   3.873 -15.624
  164   2HG   LYS  15          3HG       LYS  15 -10.560   5.325 -14.943
  165   1HD   LYS  15          2HD       LYS  15 -10.971   5.835 -17.113
  166   2HD   LYS  15          3HD       LYS  15  -9.397   6.585 -16.940
  167   1HE   LYS  15          2HE       LYS  15  -9.441   5.403 -19.030
  168   2HE   LYS  15          3HE       LYS  15  -8.328   4.546 -17.959
  169   1HZ   LYS  15          3HZ       LYS  15 -11.131   3.784 -18.516
  170   2HZ   LYS  15          1HZ       LYS  15  -9.797   3.065 -19.159
  171   3HZ   LYS  15          2HZ       LYS  15 -10.092   2.948 -17.548
  172    QB   LYS  15           QB       LYS  15  -7.986   5.739 -15.191
  173    QG   LYS  15           QG       LYS  15 -10.194   4.599 -15.284
  174    QD   LYS  15           QD       LYS  15 -10.184   6.210 -17.027
  175    QE   LYS  15           QE       LYS  15  -8.885   4.975 -18.494
  176    QZ   LYS  15           QZ       LYS  15 -10.340   3.266 -18.408
  177    NH1  ARG  16           NH2      ARG  16 -14.303   1.004 -11.564
  178    NH2  ARG  16           NH1      ARG  16 -14.633  -0.786 -10.126
  179    H    ARG  16           HN       ARG  16  -8.317   3.822 -11.292
  180    HA   ARG  16           HA       ARG  16 -10.995   4.818 -10.493
  181   1HB   ARG  16          2HB       ARG  16  -9.326   2.375 -10.122
  182   2HB   ARG  16          3HB       ARG  16 -10.272   2.859  -8.719
  183   1HG   ARG  16          2HG       ARG  16 -11.537   2.526 -11.471
  184   2HG   ARG  16          3HG       ARG  16 -11.106   1.132 -10.473
  185   1HD   ARG  16          2HD       ARG  16 -12.422   2.649  -8.598
  186   2HD   ARG  16          3HD       ARG  16 -13.331   3.087 -10.034
  187    HE   ARG  16           HE       ARG  16 -13.180   0.555  -8.574
  188   1HH1  ARG  16          2HH2      ARG  16 -13.864   1.893 -11.744
  189   2HH1  ARG  16          1HH2      ARG  16 -14.877   0.585 -12.281
  190   1HH2  ARG  16          2HH1      ARG  16 -14.467  -1.243  -9.240
  191   2HH2  ARG  16          1HH1      ARG  16 -15.201  -1.266 -10.808
  192    QB   ARG  16           QB       ARG  16  -9.799   2.617  -9.420
  193    QG   ARG  16           QG       ARG  16 -11.322   1.829 -10.972
  194    QD   ARG  16           QD       ARG  16 -12.877   2.868  -9.316
  195    QH1  ARG  16           QH2      ARG  16 -14.370   1.239 -12.013
  196    QH2  ARG  16           QH1      ARG  16 -14.834  -1.255 -10.024
  197    H    LYS  17           HN       LYS  17 -10.961   4.855  -7.915
  198    HA   LYS  17           HA       LYS  17  -8.606   6.189  -6.785
  199   1HB   LYS  17          2HB       LYS  17 -10.124   8.169  -6.200
  200   2HB   LYS  17          3HB       LYS  17  -9.460   8.102  -7.834
  201   1HG   LYS  17          2HG       LYS  17 -11.570   7.385  -8.762
  202   2HG   LYS  17          3HG       LYS  17 -12.232   7.110  -7.139
  203   1HD   LYS  17          2HD       LYS  17 -11.393   9.793  -7.064
  204   2HD   LYS  17          3HD       LYS  17 -12.023   9.631  -8.697
  205   1HE   LYS  17          2HE       LYS  17 -13.444   8.934  -6.070
  206   2HE   LYS  17          3HE       LYS  17 -13.756  10.367  -7.056
  207   1HZ   LYS  17          1HZ       LYS  17 -14.195   7.596  -7.954
  208   2HZ   LYS  17          2HZ       LYS  17 -15.369   8.601  -7.395
  209   3HZ   LYS  17          3HZ       LYS  17 -14.576   8.964  -8.793
  210    QB   LYS  17           QB       LYS  17  -9.792   8.135  -7.017
  211    QG   LYS  17           QG       LYS  17 -11.901   7.248  -7.951
  212    QD   LYS  17           QD       LYS  17 -11.708   9.712  -7.880
  213    QE   LYS  17           QE       LYS  17 -13.600   9.650  -6.563
  214    QZ   LYS  17           QZ       LYS  17 -14.714   8.387  -8.047
  215    H    ILE  18           HN       ILE  18  -8.634   4.399  -5.361
  216    HA   ILE  18           HA       ILE  18 -10.972   4.259  -3.509
  217    HB   ILE  18           HB       ILE  18  -9.129   1.998  -4.316
  218   1HG1  ILE  18          2HG1      ILE  18 -11.968   2.659  -5.212
  219   2HG1  ILE  18          3HG1      ILE  18 -10.509   2.642  -6.221
  220   1HG2  ILE  18          1HG2      ILE  18 -10.130   1.893  -1.993
  221   2HG2  ILE  18          2HG2      ILE  18 -11.737   2.002  -2.731
  222   3HG2  ILE  18          3HG2      ILE  18 -10.686   0.607  -3.048
  223   1HD1  ILE  18          1HD1      ILE  18 -10.232   0.195  -5.705
  224   2HD1  ILE  18          2HD1      ILE  18 -11.845   0.232  -4.947
  225   3HD1  ILE  18          3HD1      ILE  18 -11.666   0.617  -6.664
  226    QG1  ILE  18           QG1      ILE  18 -11.239   2.650  -5.717
  227    QG2  ILE  18           QG2      ILE  18 -10.851   1.500  -2.591
  228    QD1  ILE  18           QD1      ILE  18 -11.248   0.348  -5.772
  229    HA   PRO  19           HA       PRO  19  -7.577   5.912  -0.990
  230   1HB   PRO  19          2HB       PRO  19  -8.856   6.088   1.447
  231   2HB   PRO  19          3HB       PRO  19  -9.083   7.243   0.099
  232   1HG   PRO  19          2HG       PRO  19 -10.800   4.831   0.762
  233   2HG   PRO  19          3HG       PRO  19 -11.349   6.512   0.484
  234   1HD   PRO  19          2HD       PRO  19 -11.444   4.704  -1.472
  235   2HD   PRO  19          3HD       PRO  19 -10.840   6.347  -1.869
  236    QB   PRO  19           QB       PRO  19  -8.970   6.665   0.773
  237    QG   PRO  19           QG       PRO  19 -11.075   5.672   0.623
  238    QD   PRO  19           QD       PRO  19 -11.142   5.525  -1.671
  239    H    SER  20           HN       SER  20  -5.902   4.679  -0.242
  240    HA   SER  20           HA       SER  20  -6.399   2.407   1.565
  241   1HB   SER  20          2HB       SER  20  -4.551   2.005  -0.811
  242   2HB   SER  20          3HB       SER  20  -5.192   0.801   0.297
  243    HG   SER  20           HG       SER  20  -6.878   2.313  -1.386
  244    QB   SER  20           QB       SER  20  -4.871   1.403  -0.257
  245    H    PHE  21           HN       PHE  21  -4.262   1.561   2.296
  246    HA   PHE  21           HA       PHE  21  -2.082   3.608   2.404
  247   1HB   PHE  21          2HB       PHE  21  -3.141   1.821   4.630
  248   2HB   PHE  21          3HB       PHE  21  -1.618   2.699   4.719
  249    HD1  PHE  21          2HD       PHE  21  -5.330   3.071   4.554
  250    HD2  PHE  21          1HD       PHE  21  -1.567   5.084   5.121
  251    HE1  PHE  21          2HE       PHE  21  -6.523   5.062   5.412
  252    HE2  PHE  21          1HE       PHE  21  -2.757   7.039   6.088
  253    HZ   PHE  21           HZ       PHE  21  -5.237   7.050   6.186
  254    QB   PHE  21           QB       PHE  21  -2.379   2.260   4.675
  255    QR   PHE  21           QR       PHE  21  -4.044   5.064   5.294
  256    OH   TYR  22           OH       TYR  22   4.571   4.706  -1.469
  257    H    TYR  22           HN       TYR  22   0.060   2.698   2.246
  258    HA   TYR  22           HA       TYR  22   0.353  -0.213   2.173
  259   1HB   TYR  22          2HB       TYR  22   1.512  -0.276   0.210
  260   2HB   TYR  22          3HB       TYR  22   0.094   0.588  -0.276
  261    HD1  TYR  22           HD2      TYR  22   0.683   3.381   0.369
  262    HD2  TYR  22           HD1      TYR  22   3.411   0.319  -0.976
  263    HE1  TYR  22           HE2      TYR  22   2.219   5.106  -0.400
  264    HE2  TYR  22           HE1      TYR  22   4.992   2.067  -1.712
  265    HH   TYR  22           HH       TYR  22   4.150   5.524  -1.188
  266    QB   TYR  22           QB       TYR  22   0.803   0.156  -0.033
  267    QR   TYR  22           QR       TYR  22   2.826   2.718  -0.680
  268    OH   TYR  23           OH       TYR  23   9.065  -0.196   7.557
  269    H    TYR  23           HN       TYR  23   2.842  -0.578   2.059
  270    HA   TYR  23           HA       TYR  23   4.185   1.463   3.792
  271   1HB   TYR  23          2HB       TYR  23   3.917  -0.911   4.607
  272   2HB   TYR  23          3HB       TYR  23   4.995  -1.393   3.308
  273    HD1  TYR  23           HD1      TYR  23   7.390  -0.734   3.365
  274    HD2  TYR  23           HD2      TYR  23   4.708   0.389   6.511
  275    HE1  TYR  23           HE1      TYR  23   9.246  -0.801   4.984
  276    HE2  TYR  23           HE2      TYR  23   6.614   0.600   8.079
  277    HH   TYR  23           HH       TYR  23   9.851  -0.621   7.215
  278    QB   TYR  23           QB       TYR  23   4.456  -1.152   3.957
  279    QR   TYR  23           QR       TYR  23   6.990  -0.137   5.735
  280    H    LYS  24           HN       LYS  24   5.671   2.758   2.829
  281    HA   LYS  24           HA       LYS  24   6.672   1.974   0.144
  282   1HB   LYS  24          2HB       LYS  24   5.876   4.299   0.724
  283   2HB   LYS  24          3HB       LYS  24   7.310   4.487   1.732
  284   1HG   LYS  24          2HG       LYS  24   8.679   3.797  -0.337
  285   2HG   LYS  24          3HG       LYS  24   7.174   3.854  -1.248
  286   1HD   LYS  24          2HD       LYS  24   7.175   6.352  -0.008
  287   2HD   LYS  24          3HD       LYS  24   8.901   6.044  -0.150
  288   1HE   LYS  24          2HE       LYS  24   8.287   7.200  -2.152
  289   2HE   LYS  24          3HE       LYS  24   8.495   5.507  -2.622
  290   1HZ   LYS  24          3HZ       LYS  24   5.988   5.360  -2.272
  291   2HZ   LYS  24          1HZ       LYS  24   5.998   6.998  -2.215
  292   3HZ   LYS  24          2HZ       LYS  24   6.492   6.235  -3.584
  293    QB   LYS  24           QB       LYS  24   6.593   4.393   1.228
  294    QG   LYS  24           QG       LYS  24   7.927   3.826  -0.792
  295    QD   LYS  24           QD       LYS  24   8.038   6.198  -0.079
  296    QE   LYS  24           QE       LYS  24   8.391   6.354  -2.387
  297    QZ   LYS  24           QZ       LYS  24   6.159   6.198  -2.690
  298    CH2  TRP  25           CH2      TRP  25  11.737  -4.152   5.532
  299    H    TRP  25           HN       TRP  25   8.037   0.158   0.691
  300    HA   TRP  25           HA       TRP  25   9.903   0.172   2.779
  301   1HB   TRP  25          2HB       TRP  25   9.225  -1.749   1.375
  302   2HB   TRP  25          3HB       TRP  25  10.339  -1.205   0.115
  303    HD1  TRP  25           HD1      TRP  25  12.964  -1.398   0.686
  304    HE1  TRP  25           HE1      TRP  25  14.317  -2.656   2.435
  305    HE3  TRP  25           HE3      TRP  25   9.131  -2.898   3.713
  306    HZ2  TRP  25           HZ2      TRP  25  13.816  -4.032   4.950
  307    HZ3  TRP  25           HZ3      TRP  25   9.600  -4.137   5.810
  308    HH2  TRP  25           HH2      TRP  25  11.935  -4.677   6.456
  309    QB   TRP  25           QB       TRP  25   9.782  -1.477   0.745
  310    H    LYS  26           HN       LYS  26  10.145   1.773  -0.348
  311    HA   LYS  26           HA       LYS  26  12.893   2.351  -0.386
  312   1HB   LYS  26          2HB       LYS  26  11.090   2.840  -2.144
  313   2HB   LYS  26          3HB       LYS  26  10.732   4.316  -1.224
  314   1HG   LYS  26          2HG       LYS  26  13.136   5.009  -1.498
  315   2HG   LYS  26          3HG       LYS  26  13.425   3.536  -2.424
  316   1HD   LYS  26          2HD       LYS  26  12.827   4.594  -4.294
  317   2HD   LYS  26          3HD       LYS  26  11.179   4.733  -3.679
  318   1HE   LYS  26          2HE       LYS  26  11.802   6.890  -2.555
  319   2HE   LYS  26          3HE       LYS  26  13.447   6.733  -3.180
  320   1HZ   LYS  26          3HZ       LYS  26  11.041   7.005  -4.860
  321   2HZ   LYS  26          1HZ       LYS  26  12.116   8.202  -4.514
  322   3HZ   LYS  26          2HZ       LYS  26  12.594   6.901  -5.399
  323    QB   LYS  26           QB       LYS  26  10.911   3.578  -1.684
  324    QG   LYS  26           QG       LYS  26  13.280   4.272  -1.961
  325    QD   LYS  26           QD       LYS  26  12.003   4.664  -3.987
  326    QE   LYS  26           QE       LYS  26  12.625   6.811  -2.867
  327    QZ   LYS  26           QZ       LYS  26  11.917   7.369  -4.924
  328    H    ALA  27           HN       ALA  27  10.341   3.684   1.661
  329    HA   ALA  27           HA       ALA  27  12.242   5.628   2.916
  330   1HB   ALA  27          2HB       ALA  27  10.242   6.642   1.903
  331   2HB   ALA  27          3HB       ALA  27   9.202   5.569   2.866
  332   3HB   ALA  27          1HB       ALA  27  10.224   6.784   3.670
  333    QB   ALA  27           QB       ALA  27   9.889   6.332   2.813
  334    H    LYS  28           HN       LYS  28  10.461   2.702   3.349
  335    HA   LYS  28           HA       LYS  28   9.955   1.370   4.991
  336   1HB   LYS  28          2HB       LYS  28  12.437   2.555   6.202
  337   2HB   LYS  28          3HB       LYS  28  11.434   1.442   7.148
  338   1HG   LYS  28          2HG       LYS  28  11.669  -0.338   5.582
  339   2HG   LYS  28          3HG       LYS  28  12.348   0.731   4.355
  340   1HD   LYS  28          2HD       LYS  28  14.027  -0.734   5.385
  341   2HD   LYS  28          3HD       LYS  28  14.400   0.992   5.519
  342   1HE   LYS  28          2HE       LYS  28  13.658   1.020   7.869
  343   2HE   LYS  28          3HE       LYS  28  13.135  -0.669   7.758
  344   1HZ   LYS  28          1HZ       LYS  28  15.444  -1.271   7.400
  345   2HZ   LYS  28          2HZ       LYS  28  15.907   0.307   7.508
  346   3HZ   LYS  28          3HZ       LYS  28  15.264  -0.453   8.815
  347    QB   LYS  28           QB       LYS  28  11.935   1.998   6.675
  348    QG   LYS  28           QG       LYS  28  12.008   0.197   4.968
  349    QD   LYS  28           QD       LYS  28  14.214   0.129   5.452
  350    QE   LYS  28           QE       LYS  28  13.396   0.176   7.814
  351    QZ   LYS  28           QZ       LYS  28  15.538  -0.472   7.908
  352    H    GLN  29           HN       GLN  29   8.042   3.015   4.760
  353    HA   GLN  29           HA       GLN  29   7.025   3.215   7.447
  354   1HB   GLN  29          2HB       GLN  29   6.410   5.653   7.253
  355   2HB   GLN  29          3HB       GLN  29   8.118   5.317   7.564
  356   1HG   GLN  29          2HG       GLN  29   8.654   5.660   5.187
  357   2HG   GLN  29          3HG       GLN  29   6.956   6.018   4.830
  358   1HE2  GLN  29          2HE2      GLN  29   7.153   9.193   6.691
  359   2HE2  GLN  29          1HE2      GLN  29   6.073   7.815   6.558
  360    QB   GLN  29           QB       GLN  29   7.264   5.485   7.408
  361    QG   GLN  29           QG       GLN  29   7.805   5.839   5.009
  362    QE2  GLN  29           QE2      GLN  29   6.613   8.504   6.625
  363    H    CYS  30           HN       CYS  30   4.767   3.684   7.513
  364    HA   CYS  30           HA       CYS  30   3.239   2.682   5.228
  365   1HB   CYS  30          2HB       CYS  30   2.407   3.707   7.953
  366   2HB   CYS  30          3HB       CYS  30   1.329   2.974   6.760
  367    QB   CYS  30           QB       CYS  30   1.868   3.340   7.357
  368    H    LEU  31           HN       LEU  31   2.037   3.940   3.819
  369    HA   LEU  31           HA       LEU  31   1.668   6.817   4.432
  370   1HB   LEU  31          2HB       LEU  31   2.694   5.674   1.813
  371   2HB   LEU  31          3HB       LEU  31   2.376   7.373   2.129
  372    HG   LEU  31           HG       LEU  31   4.617   5.681   3.357
  373   1HD1  LEU  31          2HD1      LEU  31   4.810   6.265   0.932
  374   2HD1  LEU  31          3HD1      LEU  31   4.670   7.983   1.360
  375   3HD1  LEU  31          1HD1      LEU  31   6.057   7.032   1.945
  376   1HD2  LEU  31          3HD2      LEU  31   3.771   8.574   3.797
  377   2HD2  LEU  31          1HD2      LEU  31   4.244   7.371   5.009
  378   3HD2  LEU  31          2HD2      LEU  31   5.465   8.071   3.964
  379    QB   LEU  31           QB       LEU  31   2.535   6.523   1.971
  380    QD1  LEU  31           QD1      LEU  31   5.179   7.094   1.412
  381    QD2  LEU  31           QD2      LEU  31   4.493   8.006   4.257
  382    QQD  LEU  31           QQD      LEU  31   4.836   7.550   2.834
  383    HA   PRO  32           HA       PRO  32  -2.355   5.890   2.533
  384   1HB   PRO  32          2HB       PRO  32  -3.250   8.446   2.086
  385   2HB   PRO  32          3HB       PRO  32  -3.188   7.719   3.703
  386   1HG   PRO  32          2HG       PRO  32  -1.176   9.571   2.411
  387   2HG   PRO  32          3HG       PRO  32  -1.848   9.660   4.069
  388   1HD   PRO  32          2HD       PRO  32   0.588   8.570   3.519
  389   2HD   PRO  32          3HD       PRO  32  -0.458   7.905   4.810
  390    QB   PRO  32           QB       PRO  32  -3.219   8.083   2.894
  391    QG   PRO  32           QG       PRO  32  -1.512   9.615   3.240
  392    QD   PRO  32           QD       PRO  32   0.065   8.237   4.165
  393    H    PHE  33           HN       PHE  33  -3.424   6.078   0.435
  394    HA   PHE  33           HA       PHE  33  -2.552   7.836  -1.622
  395   1HB   PHE  33          2HB       PHE  33  -1.579   6.304  -3.176
  396   2HB   PHE  33          3HB       PHE  33  -0.651   6.145  -1.710
  397    HD1  PHE  33          2HD       PHE  33  -1.392   4.160  -0.063
  398    HD2  PHE  33          1HD       PHE  33  -2.835   4.491  -4.060
  399    HE1  PHE  33          2HE       PHE  33  -1.747   1.694  -0.186
  400    HE2  PHE  33          1HE       PHE  33  -2.949   2.038  -4.266
  401    HZ   PHE  33           HZ       PHE  33  -2.307   0.607  -2.270
  402    QB   PHE  33           QB       PHE  33  -1.115   6.224  -2.443
  403    QR   PHE  33           QR       PHE  33  -2.231   3.096  -2.144
  404    H    ASP  34           HN       ASP  34  -3.666   6.835  -3.851
  405    HA   ASP  34           HA       ASP  34  -6.327   5.704  -3.093
  406   1HB   ASP  34          2HB       ASP  34  -5.574   8.025  -4.797
  407   2HB   ASP  34          3HB       ASP  34  -6.663   6.857  -5.550
  408    QB   ASP  34           QB       ASP  34  -6.118   7.441  -5.173
  409    OH   TYR  35           OH       TYR  35  -5.279  -3.718  -7.180
  410    H    TYR  35           HN       TYR  35  -6.359   3.639  -3.630
  411    HA   TYR  35           HA       TYR  35  -4.602   2.516  -5.660
  412   1HB   TYR  35          2HB       TYR  35  -5.203   1.248  -3.591
  413   2HB   TYR  35          3HB       TYR  35  -6.898   1.320  -4.045
  414    HD1  TYR  35           HD1      TYR  35  -3.947   0.478  -6.212
  415    HD2  TYR  35           HD2      TYR  35  -7.461  -0.994  -4.244
  416    HE1  TYR  35           HE1      TYR  35  -3.736  -1.623  -7.463
  417    HE2  TYR  35           HE2      TYR  35  -7.049  -3.241  -5.266
  418    HH   TYR  35           HH       TYR  35  -4.739  -3.574  -7.963
  419    QB   TYR  35           QB       TYR  35  -6.051   1.284  -3.818
  420    QR   TYR  35           QR       TYR  35  -5.548  -1.345  -5.796
  421    H    SER  36           HN       SER  36  -5.345   1.367  -7.532
  422    HA   SER  36           HA       SER  36  -7.648   2.599  -8.796
  423   1HB   SER  36          2HB       SER  36  -6.983   1.479 -10.732
  424   2HB   SER  36          3HB       SER  36  -5.521   2.164 -10.023
  425    HG   SER  36           HG       SER  36  -4.814   0.161  -9.518
  426    QB   SER  36           QB       SER  36  -6.252   1.822 -10.378
  427    H    GLY  37           HN       GLY  37  -6.591  -0.767  -8.333
  428   1HA   GLY  37          1HA       GLY  37  -8.512  -2.265  -7.151
  429   2HA   GLY  37          2HA       GLY  37  -9.382  -1.700  -8.580
  430    QA   GLY  37           QA       GLY  37  -8.947  -1.983  -7.865
  431    H    CYS  38           HN       CYS  38  -6.650  -1.600 -10.060
  432    HA   CYS  38           HA       CYS  38  -6.680  -4.488 -10.871
  433   1HB   CYS  38          2HB       CYS  38  -5.869  -2.065 -12.475
  434   2HB   CYS  38          3HB       CYS  38  -6.104  -3.689 -13.093
  435    QB   CYS  38           QB       CYS  38  -5.986  -2.877 -12.784
  436    H    GLY  39           HN       GLY  39  -4.543  -5.276 -11.520
  437   1HA   GLY  39          1HA       GLY  39  -2.334  -5.719 -10.954
  438   2HA   GLY  39          2HA       GLY  39  -2.171  -4.186 -11.816
  439    QA   GLY  39           QA       GLY  39  -2.253  -4.953 -11.385
  440    H    GLY  40           HN       GLY  40  -3.210  -5.099  -8.492
  441   1HA   GLY  40          1HA       GLY  40  -1.387  -3.035  -7.318
  442   2HA   GLY  40          2HA       GLY  40  -2.695  -3.857  -6.494
  443    QA   GLY  40           QA       GLY  40  -2.041  -3.446  -6.906
  444    H    ASN  41           HN       ASN  41  -1.428  -4.688  -4.821
  445    HA   ASN  41           HA       ASN  41  -0.211  -7.236  -5.307
  446   1HB   ASN  41          2HB       ASN  41   1.921  -6.618  -4.275
  447   2HB   ASN  41          3HB       ASN  41   1.708  -5.777  -5.798
  448   1HD2  ASN  41          2HD2      ASN  41   2.758  -2.864  -4.074
  449   2HD2  ASN  41          1HD2      ASN  41   3.103  -4.127  -5.240
  450    QB   ASN  41           QB       ASN  41   1.814  -6.197  -5.037
  451    QD2  ASN  41           QD2      ASN  41   2.931  -3.495  -4.657
  452    H    ALA  42           HN       ALA  42   0.952  -7.593  -2.840
  453    HA   ALA  42           HA       ALA  42  -1.438  -7.604  -1.109
  454   1HB   ALA  42          2HB       ALA  42   1.367  -8.744  -0.788
  455   2HB   ALA  42          3HB       ALA  42   0.043  -8.987   0.368
  456   3HB   ALA  42          1HB       ALA  42  -0.087  -9.623  -1.283
  457    QB   ALA  42           QB       ALA  42   0.441  -9.118  -0.568
  458    H    ASN  43           HN       ASN  43   0.764  -5.181  -1.645
  459    HA   ASN  43           HA       ASN  43   1.104  -4.436   1.194
  460   1HB   ASN  43          2HB       ASN  43   2.921  -4.277  -0.674
  461   2HB   ASN  43          3HB       ASN  43   2.043  -2.851  -1.228
  462   1HD2  ASN  43          2HD2      ASN  43   4.640  -1.506   0.958
  463   2HD2  ASN  43          1HD2      ASN  43   4.574  -2.329  -0.554
  464    QB   ASN  43           QB       ASN  43   2.482  -3.564  -0.951
  465    QD2  ASN  43           QD2      ASN  43   4.607  -1.918   0.202
  466    NH1  ARG  44           NH2      ARG  44  -2.302  -0.556  -4.521
  467    NH2  ARG  44           NH1      ARG  44  -0.827  -2.270  -4.326
  468    H    ARG  44           HN       ARG  44  -1.392  -4.408   1.245
  469    HA   ARG  44           HA       ARG  44  -2.245  -1.617   0.776
  470   1HB   ARG  44          2HB       ARG  44  -2.830  -3.544  -1.087
  471   2HB   ARG  44          3HB       ARG  44  -4.293  -3.580  -0.125
  472   1HG   ARG  44          2HG       ARG  44  -4.946  -1.440  -0.658
  473   2HG   ARG  44          3HG       ARG  44  -3.300  -0.853  -0.886
  474   1HD   ARG  44          2HD       ARG  44  -4.918  -2.485  -2.860
  475   2HD   ARG  44          3HD       ARG  44  -4.352  -0.849  -2.972
  476    HE   ARG  44           HE       ARG  44  -2.615  -3.327  -2.941
  477   1HH1  ARG  44          2HH2      ARG  44  -3.174  -0.113  -4.295
  478   2HH1  ARG  44          1HH2      ARG  44  -1.709  -0.181  -5.259
  479   1HH2  ARG  44          2HH1      ARG  44  -0.381  -2.980  -3.744
  480   2HH2  ARG  44          1HH1      ARG  44  -0.303  -1.795  -5.055
  481    QB   ARG  44           QB       ARG  44  -3.561  -3.562  -0.606
  482    QG   ARG  44           QG       ARG  44  -4.123  -1.146  -0.772
  483    QD   ARG  44           QD       ARG  44  -4.635  -1.667  -2.916
  484    QH1  ARG  44           QH2      ARG  44  -2.442  -0.147  -4.777
  485    QH2  ARG  44           QH1      ARG  44  -0.342  -2.387  -4.399
  486    H    PHE  45           HN       PHE  45  -3.399  -0.868   2.392
  487    HA   PHE  45           HA       PHE  45  -4.809  -2.651   4.340
  488   1HB   PHE  45          2HB       PHE  45  -2.884  -0.389   4.956
  489   2HB   PHE  45          3HB       PHE  45  -3.791  -1.354   6.109
  490    HD1  PHE  45          2HD       PHE  45  -3.188  -3.724   6.520
  491    HD2  PHE  45          1HD       PHE  45  -0.961  -1.347   3.716
  492    HE1  PHE  45          2HE       PHE  45  -1.303  -5.327   6.662
  493    HE2  PHE  45          1HE       PHE  45   0.937  -2.937   3.854
  494    HZ   PHE  45           HZ       PHE  45   0.803  -4.880   5.394
  495    QB   PHE  45           QB       PHE  45  -3.337  -0.871   5.532
  496    QR   PHE  45           QR       PHE  45  -1.129  -3.334   5.188
  497    H    LYS  46           HN       LYS  46  -6.588  -1.779   5.191
  498    HA   LYS  46           HA       LYS  46  -7.751   0.553   3.854
  499   1HB   LYS  46          2HB       LYS  46  -9.737   0.025   5.101
  500   2HB   LYS  46          3HB       LYS  46  -9.052  -1.420   4.325
  501   1HG   LYS  46          2HG       LYS  46  -7.916  -1.784   6.721
  502   2HG   LYS  46          3HG       LYS  46  -9.192  -0.715   7.267
  503   1HD   LYS  46          2HD       LYS  46  -9.496  -3.399   5.842
  504   2HD   LYS  46          3HD       LYS  46  -9.749  -3.053   7.539
  505   1HE   LYS  46          2HE       LYS  46 -11.927  -3.143   6.676
  506   2HE   LYS  46          3HE       LYS  46 -11.609  -1.415   6.860
  507   1HZ   LYS  46          3HZ       LYS  46 -11.370  -2.937   4.340
  508   2HZ   LYS  46          1HZ       LYS  46 -12.660  -2.002   4.757
  509   3HZ   LYS  46          2HZ       LYS  46 -11.189  -1.309   4.505
  510    QB   LYS  46           QB       LYS  46  -9.394  -0.698   4.713
  511    QG   LYS  46           QG       LYS  46  -8.554  -1.249   6.994
  512    QD   LYS  46           QD       LYS  46  -9.623  -3.226   6.691
  513    QE   LYS  46           QE       LYS  46 -11.768  -2.279   6.768
  514    QZ   LYS  46           QZ       LYS  46 -11.740  -2.083   4.534
  515    H    THR  47           HN       THR  47  -5.809   0.006   6.684
  516    HA   THR  47           HA       THR  47  -6.182   2.855   7.482
  517    HB   THR  47           HB       THR  47  -6.108   2.142   9.860
  518    HG1  THR  47          1HG       THR  47  -6.708  -0.025  10.255
  519   1HG2  THR  47          2HG2      THR  47  -8.244   2.822   8.857
  520   2HG2  THR  47          3HG2      THR  47  -8.553   1.147   8.358
  521   3HG2  THR  47          1HG2      THR  47  -8.449   1.556  10.080
  522    QG2  THR  47           QG2      THR  47  -8.415   1.842   9.099
  523    H    ILE  48           HN       ILE  48  -4.455   3.852   8.383
  524    HA   ILE  48           HA       ILE  48  -1.825   2.953   7.771
  525    HB   ILE  48           HB       ILE  48  -2.691   5.372   8.339
  526   1HG1  ILE  48          2HG1      ILE  48  -0.516   5.989   9.572
  527   2HG1  ILE  48          3HG1      ILE  48  -0.080   4.282   9.468
  528   1HG2  ILE  48          1HG2      ILE  48  -3.719   4.667  10.544
  529   2HG2  ILE  48          2HG2      ILE  48  -2.056   4.514  11.190
  530   3HG2  ILE  48          3HG2      ILE  48  -2.647   6.085  10.619
  531   1HD1  ILE  48          2HD1      ILE  48  -0.311   4.458   6.969
  532   2HD1  ILE  48          3HD1      ILE  48  -0.689   6.184   7.164
  533   3HD1  ILE  48          1HD1      ILE  48   0.896   5.573   7.643
  534    QG1  ILE  48           QG1      ILE  48  -0.298   5.136   9.520
  535    QG2  ILE  48           QG2      ILE  48  -2.807   5.089  10.784
  536    QD1  ILE  48           QD1      ILE  48  -0.035   5.405   7.259
  537    H    GLU  49           HN       GLU  49  -3.856   2.455  10.662
  538    HA   GLU  49           HA       GLU  49  -1.659   1.583  12.277
  539   1HB   GLU  49          2HB       GLU  49  -3.372   0.898  13.869
  540   2HB   GLU  49          3HB       GLU  49  -3.813   2.456  13.160
  541   1HG   GLU  49          2HG       GLU  49  -5.148   0.896  11.444
  542   2HG   GLU  49          3HG       GLU  49  -5.080  -0.255  12.778
  543    QB   GLU  49           QB       GLU  49  -3.593   1.677  13.514
  544    QG   GLU  49           QG       GLU  49  -5.114   0.320  12.111
  545    H    GLU  50           HN       GLU  50  -3.931  -0.134  10.110
  546    HA   GLU  50           HA       GLU  50  -3.115  -2.744  10.953
  547   1HB   GLU  50          2HB       GLU  50  -5.200  -1.995   9.726
  548   2HB   GLU  50          3HB       GLU  50  -4.248  -1.957   8.244
  549   1HG   GLU  50          2HG       GLU  50  -3.896  -4.447   8.550
  550   2HG   GLU  50          3HG       GLU  50  -4.794  -4.345  10.071
  551    QB   GLU  50           QB       GLU  50  -4.724  -1.976   8.985
  552    QG   GLU  50           QG       GLU  50  -4.345  -4.396   9.311
  553    H    CYS  51           HN       CYS  51  -2.002  -0.533   8.335
  554    HA   CYS  51           HA       CYS  51   0.141  -2.222   7.427
  555   1HB   CYS  51          2HB       CYS  51  -0.476  -0.304   6.072
  556   2HB   CYS  51          3HB       CYS  51  -0.085   0.818   7.374
  557    QB   CYS  51           QB       CYS  51  -0.281   0.257   6.723
  558    NH1  ARG  52           NH2      ARG  52   3.085   4.188  14.891
  559    NH2  ARG  52           NH1      ARG  52   1.726   5.823  13.968
  560    H    ARG  52           HN       ARG  52   0.164   0.467   9.809
  561    HA   ARG  52           HA       ARG  52   2.814   0.370  10.548
  562   1HB   ARG  52          2HB       ARG  52   0.965   1.953  11.413
  563   2HB   ARG  52          3HB       ARG  52   0.508   0.662  12.525
  564   1HG   ARG  52          2HG       ARG  52   1.898   1.825  13.903
  565   2HG   ARG  52          3HG       ARG  52   3.083   0.745  13.200
  566   1HD   ARG  52          2HD       ARG  52   4.162   2.814  12.873
  567   2HD   ARG  52          3HD       ARG  52   3.317   2.649  11.349
  568    HE   ARG  52           HE       ARG  52   1.898   4.388  11.893
  569   1HH1  ARG  52          2HH2      ARG  52   3.539   3.291  14.802
  570   2HH1  ARG  52          1HH2      ARG  52   3.115   4.659  15.783
  571   1HH2  ARG  52          2HH1      ARG  52   1.198   6.195  13.191
  572   2HH2  ARG  52          1HH1      ARG  52   1.699   6.323  14.844
  573    QB   ARG  52           QB       ARG  52   0.736   1.308  11.969
  574    QG   ARG  52           QG       ARG  52   2.490   1.285  13.551
  575    QD   ARG  52           QD       ARG  52   3.739   2.731  12.111
  576    QH1  ARG  52           QH2      ARG  52   3.327   3.975  15.292
  577    QH2  ARG  52           QH1      ARG  52   1.449   6.259  14.018
  578    NH1  ARG  53           NH2      ARG  53   1.264  -4.051  18.117
  579    NH2  ARG  53           NH1      ARG  53  -0.329  -5.562  18.883
  580    H    ARG  53           HN       ARG  53   0.176  -1.564  11.951
  581    HA   ARG  53           HA       ARG  53   1.946  -2.856  13.807
  582   1HB   ARG  53          2HB       ARG  53  -0.777  -2.495  13.621
  583   2HB   ARG  53          3HB       ARG  53  -0.654  -4.195  13.171
  584   1HG   ARG  53          2HG       ARG  53   0.501  -2.836  15.663
  585   2HG   ARG  53          3HG       ARG  53  -1.009  -3.755  15.577
  586   1HD   ARG  53          2HD       ARG  53   0.588  -5.674  14.616
  587   2HD   ARG  53          3HD       ARG  53   1.849  -4.780  15.465
  588    HE   ARG  53           HE       ARG  53  -0.287  -6.414  16.538
  589   1HH1  ARG  53          2HH2      ARG  53   1.883  -3.689  17.373
  590   2HH1  ARG  53          1HH2      ARG  53   1.349  -3.613  19.018
  591   1HH2  ARG  53          2HH1      ARG  53  -0.994  -6.298  18.696
  592   2HH2  ARG  53          1HH1      ARG  53  -0.289  -5.178  19.813
  593    QB   ARG  53           QB       ARG  53  -0.715  -3.345  13.396
  594    QG   ARG  53           QG       ARG  53  -0.254  -3.296  15.620
  595    QD   ARG  53           QD       ARG  53   1.219  -5.227  15.041
  596    QH1  ARG  53           QH2      ARG  53   1.616  -3.651  18.195
  597    QH2  ARG  53           QH1      ARG  53  -0.641  -5.738  19.255
  598    H    THR  54           HN       THR  54   0.877  -3.646  10.516
  599    HA   THR  54           HA       THR  54   1.813  -6.375  10.545
  600    HB   THR  54           HB       THR  54   1.476  -4.409   8.242
  601    HG1  THR  54          1HG       THR  54  -0.452  -4.899   9.215
  602   1HG2  THR  54          1HG2      THR  54   2.003  -7.405   8.291
  603   2HG2  THR  54          2HG2      THR  54   1.387  -6.532   6.874
  604   3HG2  THR  54          3HG2      THR  54   2.994  -6.139   7.510
  605    QG2  THR  54           QG2      THR  54   2.128  -6.692   7.558
  606    H    CYS  55           HN       CYS  55   3.305  -3.240   9.586
  607    HA   CYS  55           HA       CYS  55   5.720  -4.818   8.881
  608   1HB   CYS  55          2HB       CYS  55   4.514  -3.534   7.214
  609   2HB   CYS  55          3HB       CYS  55   5.210  -2.065   7.884
  610    QB   CYS  55           QB       CYS  55   4.862  -2.800   7.549
  611    H    VAL  56           HN       VAL  56   4.795  -2.117  10.815
  612    HA   VAL  56           HA       VAL  56   7.465  -1.882  12.125
  613    HB   VAL  56           HB       VAL  56   5.080  -0.043  12.537
  614   1HG1  VAL  56          2HG1      VAL  56   8.081   0.303  12.949
  615   2HG1  VAL  56          3HG1      VAL  56   6.942   1.657  12.927
  616   3HG1  VAL  56          1HG1      VAL  56   6.799   0.454  14.175
  617   1HG2  VAL  56          3HG2      VAL  56   7.231   0.253  10.412
  618   2HG2  VAL  56          1HG2      VAL  56   5.484   0.043  10.121
  619   3HG2  VAL  56          2HG2      VAL  56   6.070   1.514  10.873
  620    QG1  VAL  56           QG1      VAL  56   7.274   0.805  13.350
  621    QG2  VAL  56           QG2      VAL  56   6.262   0.603  10.469
  622    QQG  VAL  56           QQG      VAL  56   6.768   0.704  11.910
  623    H    GLY  57           HN       GLY  57   6.433  -1.220  14.712
  624   1HA   GLY  57          1HA       GLY  57   5.356  -3.778  15.678
  625   2HA   GLY  57          2HA       GLY  57   5.914  -2.395  16.627
  626    QA   GLY  57           QA       GLY  57   5.635  -3.086  16.152
   
  Start of MODEL           7
 Raw file had  626 H/Q atoms
  Start of MODEL    7
    1    H    ALA   1           HN       ALA   1   9.246  -6.917  10.279
    2    HA   ALA   1           HA       ALA   1   7.018  -6.794   9.184
    3   1HB   ALA   1          1HB       ALA   1   8.876  -5.171   8.566
    4   2HB   ALA   1          2HB       ALA   1   9.339  -6.277   7.257
    5   3HB   ALA   1          3HB       ALA   1   7.739  -5.515   7.255
    6    QB   ALA   1           QB       ALA   1   8.651  -5.655   7.693
    7    H    ALA   2           HN       ALA   2   5.852  -7.358   7.120
    8    HA   ALA   2           HA       ALA   2   6.151 -10.144   6.380
    9   1HB   ALA   2          1HB       ALA   2   3.970  -8.967   6.447
   10   2HB   ALA   2          2HB       ALA   2   4.508  -7.903   5.126
   11   3HB   ALA   2          3HB       ALA   2   4.302  -9.647   4.841
   12    QB   ALA   2           QB       ALA   2   4.260  -8.839   5.471
   13    H    LYS   3           HN       LYS   3   6.355 -10.833   4.057
   14    HA   LYS   3           HA       LYS   3   8.747  -9.751   2.862
   15   1HB   LYS   3          2HB       LYS   3   6.946 -12.033   2.378
   16   2HB   LYS   3          3HB       LYS   3   7.354 -11.216   0.878
   17   1HG   LYS   3          2HG       LYS   3   9.003 -12.881   1.142
   18   2HG   LYS   3          3HG       LYS   3   9.764 -11.331   1.444
   19   1HD   LYS   3          2HD       LYS   3  10.640 -12.693   3.159
   20   2HD   LYS   3          3HD       LYS   3   9.390 -11.755   3.959
   21   1HE   LYS   3          2HE       LYS   3   9.226 -14.002   4.751
   22   2HE   LYS   3          3HE       LYS   3   7.811 -13.720   3.736
   23   1HZ   LYS   3          2HZ       LYS   3  10.265 -15.137   2.896
   24   2HZ   LYS   3          3HZ       LYS   3   8.860 -15.853   3.346
   25   3HZ   LYS   3          1HZ       LYS   3   8.909 -14.943   1.982
   26    QB   LYS   3           QB       LYS   3   7.150 -11.625   1.628
   27    QG   LYS   3           QG       LYS   3   9.384 -12.106   1.293
   28    QD   LYS   3           QD       LYS   3  10.015 -12.224   3.559
   29    QE   LYS   3           QE       LYS   3   8.519 -13.861   4.244
   30    QZ   LYS   3           QZ       LYS   3   9.345 -15.311   2.741
   31    OH   TYR   4           OH       TYR   4   0.743  -9.028   5.303
   32    H    TYR   4           HN       TYR   4   5.278  -9.587   1.934
   33    HA   TYR   4           HA       TYR   4   5.659  -7.983  -0.327
   34   1HB   TYR   4          2HB       TYR   4   3.236  -7.421  -0.028
   35   2HB   TYR   4          3HB       TYR   4   3.654  -9.137  -0.084
   36    HD1  TYR   4           HD2      TYR   4   2.934  -6.357   2.366
   37    HD2  TYR   4           HD1      TYR   4   2.661 -10.575   1.480
   38    HE1  TYR   4           HE2      TYR   4   1.750  -6.743   4.496
   39    HE2  TYR   4           HE1      TYR   4   1.330 -10.913   3.531
   40    HH   TYR   4           HH       TYR   4   0.363  -9.905   5.384
   41    QB   TYR   4           QB       TYR   4   3.445  -8.279  -0.056
   42    QR   TYR   4           QR       TYR   4   2.169  -8.647   2.968
   43    H    CYS   5           HN       CYS   5   5.823  -7.097   2.980
   44    HA   CYS   5           HA       CYS   5   5.227  -4.364   3.030
   45   1HB   CYS   5          2HB       CYS   5   6.085  -5.892   4.941
   46   2HB   CYS   5          3HB       CYS   5   7.704  -5.565   4.288
   47    QB   CYS   5           QB       CYS   5   6.895  -5.729   4.614
   48    H    LYS   6           HN       LYS   6   8.012  -6.040   1.501
   49    HA   LYS   6           HA       LYS   6   9.552  -3.672   1.076
   50   1HB   LYS   6          2HB       LYS   6  10.503  -5.861   1.400
   51   2HB   LYS   6          3HB       LYS   6   9.759  -6.453  -0.109
   52   1HG   LYS   6          2HG       LYS   6  11.112  -5.108  -1.453
   53   2HG   LYS   6          3HG       LYS   6  11.368  -3.929  -0.174
   54   1HD   LYS   6          2HD       LYS   6  13.431  -4.911  -0.530
   55   2HD   LYS   6          3HD       LYS   6  12.870  -5.457   1.046
   56   1HE   LYS   6          2HE       LYS   6  12.374  -7.139  -1.469
   57   2HE   LYS   6          3HE       LYS   6  13.976  -7.148  -0.722
   58   1HZ   LYS   6          2HZ       LYS   6  11.497  -7.837   0.700
   59   2HZ   LYS   6          3HZ       LYS   6  12.568  -8.922   0.069
   60   3HZ   LYS   6          1HZ       LYS   6  13.036  -7.929   1.293
   61    QB   LYS   6           QB       LYS   6  10.131  -6.157   0.646
   62    QG   LYS   6           QG       LYS   6  11.240  -4.519  -0.813
   63    QD   LYS   6           QD       LYS   6  13.151  -5.184   0.258
   64    QE   LYS   6           QE       LYS   6  13.175  -7.143  -1.095
   65    QZ   LYS   6           QZ       LYS   6  12.367  -8.229   0.687
   66    H    LEU   7           HN       LEU   7   6.728  -4.882  -0.627
   67    HA   LEU   7           HA       LEU   7   7.615  -4.244  -3.262
   68   1HB   LEU   7          2HB       LEU   7   4.849  -4.422  -2.069
   69   2HB   LEU   7          3HB       LEU   7   5.177  -4.348  -3.794
   70    HG   LEU   7           HG       LEU   7   6.440  -6.549  -2.114
   71   1HD1  LEU   7          3HD1      LEU   7   3.855  -6.420  -1.843
   72   2HD1  LEU   7          1HD1      LEU   7   3.823  -6.890  -3.547
   73   3HD1  LEU   7          2HD1      LEU   7   4.572  -7.963  -2.378
   74   1HD2  LEU   7          3HD2      LEU   7   5.550  -6.345  -5.034
   75   2HD2  LEU   7          1HD2      LEU   7   7.232  -6.295  -4.447
   76   3HD2  LEU   7          2HD2      LEU   7   6.266  -7.779  -4.274
   77    QB   LEU   7           QB       LEU   7   5.013  -4.385  -2.932
   78    QD1  LEU   7           QD1      LEU   7   4.083  -7.091  -2.589
   79    QD2  LEU   7           QD2      LEU   7   6.349  -6.806  -4.585
   80    QQD  LEU   7           QQD      LEU   7   5.216  -6.949  -3.587
   81    HA   PRO   8           HA       PRO   8   7.366   0.162  -2.872
   82   1HB   PRO   8          2HB       PRO   8   7.582   0.981  -5.465
   83   2HB   PRO   8          3HB       PRO   8   8.879   0.055  -4.666
   84   1HG   PRO   8          2HG       PRO   8   6.653  -1.037  -6.416
   85   2HG   PRO   8          3HG       PRO   8   8.413  -1.291  -6.617
   86   1HD   PRO   8          2HD       PRO   8   6.868  -3.113  -5.293
   87   2HD   PRO   8          3HD       PRO   8   8.520  -2.713  -4.725
   88    QB   PRO   8           QB       PRO   8   8.230   0.518  -5.066
   89    QG   PRO   8           QG       PRO   8   7.533  -1.164  -6.516
   90    QD   PRO   8           QD       PRO   8   7.694  -2.913  -5.009
   91    H    LEU   9           HN       LEU   9   6.199   2.130  -4.099
   92    HA   LEU   9           HA       LEU   9   3.390   1.852  -3.745
   93   1HB   LEU   9          2HB       LEU   9   4.501   4.081  -3.639
   94   2HB   LEU   9          3HB       LEU   9   4.945   3.939  -5.332
   95    HG   LEU   9           HG       LEU   9   2.617   4.036  -6.029
   96   1HD1  LEU   9          2HD1      LEU   9   1.973   3.436  -3.207
   97   2HD1  LEU   9          3HD1      LEU   9   1.087   4.822  -3.819
   98   3HD1  LEU   9          1HD1      LEU   9   0.987   3.271  -4.656
   99   1HD2  LEU   9          2HD2      LEU   9   3.822   6.136  -5.699
  100   2HD2  LEU   9          3HD2      LEU   9   2.087   6.317  -5.391
  101   3HD2  LEU   9          1HD2      LEU   9   3.221   6.231  -4.028
  102    QB   LEU   9           QB       LEU   9   4.723   4.010  -4.485
  103    QD1  LEU   9           QD1      LEU   9   1.349   3.843  -3.894
  104    QD2  LEU   9           QD2      LEU   9   3.043   6.228  -5.040
  105    QQD  LEU   9           QQD      LEU   9   2.196   5.035  -4.467
  106    NH1  ARG  10           NH2      ARG  10   3.147  -2.821 -11.577
  107    NH2  ARG  10           NH1      ARG  10   1.556  -4.516 -11.628
  108    H    ARG  10           HN       ARG  10   1.819   1.417  -5.138
  109    HA   ARG  10           HA       ARG  10   2.368   0.614  -7.934
  110   1HB   ARG  10          2HB       ARG  10   3.161  -1.208  -6.413
  111   2HB   ARG  10          3HB       ARG  10   1.595  -1.215  -5.625
  112   1HG   ARG  10          2HG       ARG  10   1.684  -3.077  -7.126
  113   2HG   ARG  10          3HG       ARG  10   0.556  -1.890  -7.797
  114   1HD   ARG  10          2HD       ARG  10   2.242  -1.156  -9.411
  115   2HD   ARG  10          3HD       ARG  10   3.397  -2.341  -8.737
  116    HE   ARG  10           HE       ARG  10   0.874  -3.588  -9.437
  117   1HH1  ARG  10          2HH2      ARG  10   3.570  -2.052 -11.080
  118   2HH1  ARG  10          1HH2      ARG  10   3.464  -3.025 -12.513
  119   1HH2  ARG  10          2HH1      ARG  10   0.785  -4.985 -11.168
  120   2HH2  ARG  10          1HH1      ARG  10   1.846  -4.829 -12.543
  121    QB   ARG  10           QB       ARG  10   2.378  -1.211  -6.019
  122    QG   ARG  10           QG       ARG  10   1.120  -2.483  -7.461
  123    QD   ARG  10           QD       ARG  10   2.820  -1.748  -9.074
  124    QH1  ARG  10           QH2      ARG  10   3.517  -2.538 -11.797
  125    QH2  ARG  10           QH1      ARG  10   1.316  -4.907 -11.856
  126    H    ILE  11           HN       ILE  11   0.873   2.496  -8.088
  127    HA   ILE  11           HA       ILE  11  -1.713   2.510  -6.876
  128    HB   ILE  11           HB       ILE  11  -0.683   3.883  -9.386
  129   1HG1  ILE  11          2HG1      ILE  11  -0.974   4.774  -6.472
  130   2HG1  ILE  11          3HG1      ILE  11   0.547   4.456  -7.311
  131   1HG2  ILE  11          2HG2      ILE  11  -3.207   4.395  -7.739
  132   2HG2  ILE  11          3HG2      ILE  11  -2.617   5.430  -9.047
  133   3HG2  ILE  11          1HG2      ILE  11  -3.156   3.796  -9.402
  134   1HD1  ILE  11          3HD1      ILE  11   0.028   6.366  -8.857
  135   2HD1  ILE  11          1HD1      ILE  11  -1.361   6.759  -7.807
  136   3HD1  ILE  11          2HD1      ILE  11   0.275   6.795  -7.151
  137    QG1  ILE  11           QG1      ILE  11  -0.214   4.615  -6.891
  138    QG2  ILE  11           QG2      ILE  11  -2.993   4.541  -8.729
  139    QD1  ILE  11           QD1      ILE  11  -0.353   6.640  -7.938
  140    H    GLY  12           HN       GLY  12  -0.482   1.118  -9.879
  141   1HA   GLY  12          1HA       GLY  12  -1.234  -0.817 -10.859
  142   2HA   GLY  12          2HA       GLY  12  -2.751  -0.766  -9.956
  143    QA   GLY  12           QA       GLY  12  -1.993  -0.791 -10.408
  144    HA   PRO  13           HA       PRO  13  -2.827   1.384 -14.239
  145   1HB   PRO  13          2HB       PRO  13  -3.218  -0.530 -16.138
  146   2HB   PRO  13          3HB       PRO  13  -1.627  -0.252 -15.379
  147   1HG   PRO  13          2HG       PRO  13  -3.714  -2.300 -14.539
  148   2HG   PRO  13          3HG       PRO  13  -2.004  -2.611 -14.967
  149   1HD   PRO  13          2HD       PRO  13  -2.743  -2.254 -12.382
  150   2HD   PRO  13          3HD       PRO  13  -1.231  -1.533 -13.001
  151    QB   PRO  13           QB       PRO  13  -2.423  -0.391 -15.759
  152    QG   PRO  13           QG       PRO  13  -2.859  -2.456 -14.753
  153    QD   PRO  13           QD       PRO  13  -1.987  -1.893 -12.692
  154    H    CYS  14           HN       CYS  14  -5.251   0.180 -12.320
  155    HA   CYS  14           HA       CYS  14  -7.385   0.234 -14.353
  156   1HB   CYS  14          2HB       CYS  14  -7.165  -0.370 -11.460
  157   2HB   CYS  14          3HB       CYS  14  -8.596   0.492 -11.941
  158    QB   CYS  14           QB       CYS  14  -7.880   0.061 -11.700
  159    H    LYS  15           HN       LYS  15  -9.175   1.850 -13.908
  160    HA   LYS  15           HA       LYS  15  -7.994   4.582 -13.550
  161   1HB   LYS  15          2HB       LYS  15  -9.550   5.413 -15.141
  162   2HB   LYS  15          3HB       LYS  15  -8.518   4.156 -15.847
  163   1HG   LYS  15          2HG       LYS  15 -10.390   2.537 -15.768
  164   2HG   LYS  15          3HG       LYS  15 -11.397   3.712 -14.936
  165   1HD   LYS  15          2HD       LYS  15 -12.139   3.899 -17.146
  166   2HD   LYS  15          3HD       LYS  15 -11.104   5.297 -16.876
  167   1HE   LYS  15          2HE       LYS  15 -10.560   4.483 -19.045
  168   2HE   LYS  15          3HE       LYS  15  -9.199   4.035 -18.014
  169   1HZ   LYS  15          1HZ       LYS  15 -10.171   1.811 -17.877
  170   2HZ   LYS  15          2HZ       LYS  15 -11.403   2.265 -18.875
  171   3HZ   LYS  15          3HZ       LYS  15  -9.857   2.237 -19.432
  172    QB   LYS  15           QB       LYS  15  -9.034   4.785 -15.494
  173    QG   LYS  15           QG       LYS  15 -10.893   3.124 -15.352
  174    QD   LYS  15           QD       LYS  15 -11.622   4.598 -17.011
  175    QE   LYS  15           QE       LYS  15  -9.880   4.259 -18.530
  176    QZ   LYS  15           QZ       LYS  15 -10.477   2.104 -18.728
  177    NH1  ARG  16           NH2      ARG  16 -12.559  -2.140  -9.312
  178    NH2  ARG  16           NH1      ARG  16 -10.646  -2.591 -10.545
  179    H    ARG  16           HN       ARG  16  -8.623   3.302 -11.371
  180    HA   ARG  16           HA       ARG  16 -11.157   4.507 -10.394
  181   1HB   ARG  16          2HB       ARG  16  -9.896   1.827  -9.851
  182   2HB   ARG  16          3HB       ARG  16 -10.924   2.578  -8.613
  183   1HG   ARG  16          2HG       ARG  16 -12.775   2.723 -10.204
  184   2HG   ARG  16          3HG       ARG  16 -11.779   2.021 -11.482
  185   1HD   ARG  16          2HD       ARG  16 -12.444   0.660  -8.826
  186   2HD   ARG  16          3HD       ARG  16 -13.353   0.412 -10.341
  187    HE   ARG  16           HE       ARG  16 -10.618  -0.088 -10.870
  188   1HH1  ARG  16          2HH2      ARG  16 -13.218  -1.466  -8.951
  189   2HH1  ARG  16          1HH2      ARG  16 -12.687  -3.113  -9.078
  190   1HH2  ARG  16          2HH1      ARG  16  -9.882  -2.293 -11.144
  191   2HH2  ARG  16          1HH1      ARG  16 -10.722  -3.576 -10.340
  192    QB   ARG  16           QB       ARG  16 -10.410   2.202  -9.232
  193    QG   ARG  16           QG       ARG  16 -12.277   2.372 -10.843
  194    QD   ARG  16           QD       ARG  16 -12.898   0.536  -9.583
  195    QH1  ARG  16           QH2      ARG  16 -12.952  -2.290  -9.014
  196    QH2  ARG  16           QH1      ARG  16 -10.302  -2.934 -10.742
  197    H    LYS  17           HN       LYS  17 -10.939   4.681  -7.871
  198    HA   LYS  17           HA       LYS  17  -8.339   5.765  -6.999
  199   1HB   LYS  17          2HB       LYS  17  -9.087   7.576  -8.320
  200   2HB   LYS  17          3HB       LYS  17 -10.759   7.432  -7.770
  201   1HG   LYS  17          2HG       LYS  17 -10.441   8.701  -5.956
  202   2HG   LYS  17          3HG       LYS  17  -8.896   7.952  -5.548
  203   1HD   LYS  17          2HD       LYS  17  -7.694   9.284  -7.117
  204   2HD   LYS  17          3HD       LYS  17  -9.174   9.982  -7.797
  205   1HE   LYS  17          2HE       LYS  17  -9.370  11.531  -6.135
  206   2HE   LYS  17          3HE       LYS  17  -9.045  10.334  -4.868
  207   1HZ   LYS  17          2HZ       LYS  17  -6.910  11.587  -6.455
  208   2HZ   LYS  17          3HZ       LYS  17  -7.362  12.040  -4.927
  209   3HZ   LYS  17          1HZ       LYS  17  -6.752  10.557  -5.209
  210    QB   LYS  17           QB       LYS  17  -9.923   7.504  -8.045
  211    QG   LYS  17           QG       LYS  17  -9.668   8.326  -5.752
  212    QD   LYS  17           QD       LYS  17  -8.434   9.633  -7.457
  213    QE   LYS  17           QE       LYS  17  -9.207  10.933  -5.501
  214    QZ   LYS  17           QZ       LYS  17  -7.008  11.395  -5.530
  215    H    ILE  18           HN       ILE  18  -8.537   4.153  -5.422
  216    HA   ILE  18           HA       ILE  18 -10.775   4.389  -3.467
  217    HB   ILE  18           HB       ILE  18  -9.049   2.020  -4.213
  218   1HG1  ILE  18          2HG1      ILE  18 -12.038   2.546  -4.598
  219   2HG1  ILE  18          3HG1      ILE  18 -10.819   2.680  -5.872
  220   1HG2  ILE  18          2HG2      ILE  18  -9.605   2.020  -1.783
  221   2HG2  ILE  18          3HG2      ILE  18 -11.319   2.271  -2.182
  222   3HG2  ILE  18          1HG2      ILE  18 -10.495   0.762  -2.627
  223   1HD1  ILE  18          1HD1      ILE  18 -10.228   0.283  -5.558
  224   2HD1  ILE  18          2HD1      ILE  18 -11.605   0.124  -4.437
  225   3HD1  ILE  18          3HD1      ILE  18 -11.882   0.573  -6.127
  226    QG1  ILE  18           QG1      ILE  18 -11.428   2.613  -5.235
  227    QG2  ILE  18           QG2      ILE  18 -10.473   1.685  -2.197
  228    QD1  ILE  18           QD1      ILE  18 -11.238   0.327  -5.374
  229    HA   PRO  19           HA       PRO  19  -7.161   6.066  -1.254
  230   1HB   PRO  19          2HB       PRO  19  -8.406   6.900   1.057
  231   2HB   PRO  19          3HB       PRO  19  -8.402   7.796  -0.482
  232   1HG   PRO  19          2HG       PRO  19 -10.555   5.956   0.566
  233   2HG   PRO  19          3HG       PRO  19 -10.754   7.585  -0.138
  234   1HD   PRO  19          2HD       PRO  19 -11.155   5.354  -1.589
  235   2HD   PRO  19          3HD       PRO  19 -10.350   6.768  -2.343
  236    QB   PRO  19           QB       PRO  19  -8.404   7.348   0.288
  237    QG   PRO  19           QG       PRO  19 -10.655   6.771   0.214
  238    QD   PRO  19           QD       PRO  19 -10.752   6.061  -1.966
  239    H    SER  20           HN       SER  20  -5.726   4.718  -0.315
  240    HA   SER  20           HA       SER  20  -6.516   2.754   1.757
  241   1HB   SER  20          2HB       SER  20  -4.689   1.933  -0.544
  242   2HB   SER  20          3HB       SER  20  -5.492   0.888   0.613
  243    HG   SER  20           HG       SER  20  -6.841   2.483  -1.303
  244    QB   SER  20           QB       SER  20  -5.091   1.410   0.035
  245    H    PHE  21           HN       PHE  21  -4.248   1.699   2.387
  246    HA   PHE  21           HA       PHE  21  -2.101   3.753   2.478
  247   1HB   PHE  21          2HB       PHE  21  -2.998   1.938   4.755
  248   2HB   PHE  21          3HB       PHE  21  -1.521   2.892   4.769
  249    HD1  PHE  21          2HD       PHE  21  -5.239   3.126   4.696
  250    HD2  PHE  21          1HD       PHE  21  -1.539   5.226   5.342
  251    HE1  PHE  21          2HE       PHE  21  -6.479   4.969   5.794
  252    HE2  PHE  21          1HE       PHE  21  -2.784   7.100   6.382
  253    HZ   PHE  21           HZ       PHE  21  -5.251   6.964   6.641
  254    QB   PHE  21           QB       PHE  21  -2.259   2.415   4.762
  255    QR   PHE  21           QR       PHE  21  -4.010   5.105   5.553
  256    OH   TYR  22           OH       TYR  22   3.907   5.598  -1.536
  257    H    TYR  22           HN       TYR  22   0.027   2.900   2.371
  258    HA   TYR  22           HA       TYR  22   0.402   0.001   2.079
  259   1HB   TYR  22          2HB       TYR  22   1.523   0.171   0.055
  260   2HB   TYR  22          3HB       TYR  22   0.035   1.030  -0.272
  261    HD1  TYR  22           HD2      TYR  22   0.284   3.720   0.398
  262    HD2  TYR  22           HD1      TYR  22   3.485   1.097  -0.806
  263    HE1  TYR  22           HE2      TYR  22   1.554   5.655  -0.375
  264    HE2  TYR  22           HE1      TYR  22   4.773   3.042  -1.584
  265    HH   TYR  22           HH       TYR  22   3.307   6.343  -1.435
  266    QB   TYR  22           QB       TYR  22   0.779   0.600  -0.108
  267    QR   TYR  22           QR       TYR  22   2.524   3.379  -0.592
  268    OH   TYR  23           OH       TYR  23   9.047  -0.300   7.574
  269    H    TYR  23           HN       TYR  23   2.811  -0.420   2.108
  270    HA   TYR  23           HA       TYR  23   4.232   1.535   3.851
  271   1HB   TYR  23          2HB       TYR  23   3.819  -0.835   4.586
  272   2HB   TYR  23          3HB       TYR  23   4.897  -1.363   3.311
  273    HD1  TYR  23           HD1      TYR  23   7.324  -0.796   3.391
  274    HD2  TYR  23           HD2      TYR  23   4.656   0.075   6.626
  275    HE1  TYR  23           HE1      TYR  23   9.207  -0.851   4.988
  276    HE2  TYR  23           HE2      TYR  23   6.570   0.335   8.169
  277    HH   TYR  23           HH       TYR  23   9.877  -0.573   7.184
  278    QB   TYR  23           QB       TYR  23   4.358  -1.099   3.949
  279    QR   TYR  23           QR       TYR  23   6.939  -0.309   5.793
  280    H    LYS  24           HN       LYS  24   5.473   2.964   2.621
  281    HA   LYS  24           HA       LYS  24   6.491   2.006   0.010
  282   1HB   LYS  24          2HB       LYS  24   5.737   4.316   0.193
  283   2HB   LYS  24          3HB       LYS  24   6.973   4.667   1.398
  284   1HG   LYS  24          2HG       LYS  24   8.676   4.701  -0.153
  285   2HG   LYS  24          3HG       LYS  24   8.008   3.348  -1.078
  286   1HD   LYS  24          2HD       LYS  24   7.987   5.255  -2.503
  287   2HD   LYS  24          3HD       LYS  24   6.335   4.783  -2.098
  288   1HE   LYS  24          2HE       LYS  24   6.494   6.587  -0.219
  289   2HE   LYS  24          3HE       LYS  24   7.941   7.164  -1.046
  290   1HZ   LYS  24          1HZ       LYS  24   5.239   6.868  -2.184
  291   2HZ   LYS  24          2HZ       LYS  24   5.921   8.306  -1.729
  292   3HZ   LYS  24          3HZ       LYS  24   6.541   7.479  -3.009
  293    QB   LYS  24           QB       LYS  24   6.355   4.491   0.795
  294    QG   LYS  24           QG       LYS  24   8.342   4.024  -0.616
  295    QD   LYS  24           QD       LYS  24   7.161   5.019  -2.300
  296    QE   LYS  24           QE       LYS  24   7.217   6.876  -0.633
  297    QZ   LYS  24           QZ       LYS  24   5.900   7.551  -2.307
  298    CH2  TRP  25           CH2      TRP  25  12.294  -4.017   4.858
  299    H    TRP  25           HN       TRP  25   7.957   0.364   0.455
  300    HA   TRP  25           HA       TRP  25   9.817   0.316   2.536
  301   1HB   TRP  25          2HB       TRP  25   9.166  -1.555   1.107
  302   2HB   TRP  25          3HB       TRP  25  10.141  -0.911  -0.215
  303    HD1  TRP  25           HD1      TRP  25  12.716  -1.198  -0.079
  304    HE1  TRP  25           HE1      TRP  25  14.363  -2.431   1.441
  305    HE3  TRP  25           HE3      TRP  25   9.442  -2.777   3.459
  306    HZ2  TRP  25           HZ2      TRP  25  14.258  -3.871   3.972
  307    HZ3  TRP  25           HZ3      TRP  25  10.213  -4.061   5.436
  308    HH2  TRP  25           HH2      TRP  25  12.627  -4.586   5.713
  309    QB   TRP  25           QB       TRP  25   9.654  -1.233   0.446
  310    H    LYS  26           HN       LYS  26  10.033   2.055  -0.533
  311    HA   LYS  26           HA       LYS  26  12.801   2.609  -0.462
  312   1HB   LYS  26          2HB       LYS  26  11.120   3.068  -2.340
  313   2HB   LYS  26          3HB       LYS  26  10.630   4.500  -1.431
  314   1HG   LYS  26          2HG       LYS  26  12.174   5.247  -3.068
  315   2HG   LYS  26          3HG       LYS  26  13.054   5.287  -1.537
  316   1HD   LYS  26          2HD       LYS  26  14.094   3.027  -2.185
  317   2HD   LYS  26          3HD       LYS  26  13.167   3.101  -3.682
  318   1HE   LYS  26          2HE       LYS  26  15.385   3.792  -4.206
  319   2HE   LYS  26          3HE       LYS  26  14.365   5.233  -4.283
  320   1HZ   LYS  26          3HZ       LYS  26  15.184   5.803  -2.061
  321   2HZ   LYS  26          1HZ       LYS  26  16.147   4.470  -2.051
  322   3HZ   LYS  26          2HZ       LYS  26  16.414   5.666  -3.144
  323    QB   LYS  26           QB       LYS  26  10.875   3.784  -1.886
  324    QG   LYS  26           QG       LYS  26  12.614   5.267  -2.303
  325    QD   LYS  26           QD       LYS  26  13.630   3.064  -2.933
  326    QE   LYS  26           QE       LYS  26  14.875   4.513  -4.245
  327    QZ   LYS  26           QZ       LYS  26  15.915   5.313  -2.418
  328    H    ALA  27           HN       ALA  27  10.169   3.898   1.485
  329    HA   ALA  27           HA       ALA  27  11.964   5.862   2.837
  330   1HB   ALA  27          1HB       ALA  27   9.764   6.717   2.097
  331   2HB   ALA  27          2HB       ALA  27   8.952   5.435   3.025
  332   3HB   ALA  27          3HB       ALA  27   9.896   6.680   3.868
  333    QB   ALA  27           QB       ALA  27   9.538   6.277   2.997
  334    H    LYS  28           HN       LYS  28  10.277   2.830   3.143
  335    HA   LYS  28           HA       LYS  28   9.915   1.319   4.694
  336   1HB   LYS  28          2HB       LYS  28  12.307   2.535   6.091
  337   2HB   LYS  28          3HB       LYS  28  11.395   1.200   6.780
  338   1HG   LYS  28          2HG       LYS  28  12.342  -0.343   5.473
  339   2HG   LYS  28          3HG       LYS  28  12.010   0.576   4.020
  340   1HD   LYS  28          2HD       LYS  28  14.372   0.261   4.170
  341   2HD   LYS  28          3HD       LYS  28  14.005   1.980   4.404
  342   1HE   LYS  28          2HE       LYS  28  14.229   1.674   6.893
  343   2HE   LYS  28          3HE       LYS  28  14.551  -0.049   6.649
  344   1HZ   LYS  28          3HZ       LYS  28  16.226   2.166   5.664
  345   2HZ   LYS  28          1HZ       LYS  28  16.546   1.233   6.977
  346   3HZ   LYS  28          2HZ       LYS  28  16.553   0.561   5.478
  347    QB   LYS  28           QB       LYS  28  11.851   1.868   6.435
  348    QG   LYS  28           QG       LYS  28  12.176   0.117   4.746
  349    QD   LYS  28           QD       LYS  28  14.189   1.120   4.287
  350    QE   LYS  28           QE       LYS  28  14.390   0.813   6.771
  351    QZ   LYS  28           QZ       LYS  28  16.442   1.320   6.040
  352    H    GLN  29           HN       GLN  29   8.001   3.058   4.563
  353    HA   GLN  29           HA       GLN  29   7.074   3.028   7.275
  354   1HB   GLN  29          2HB       GLN  29   8.377   5.435   6.465
  355   2HB   GLN  29          3HB       GLN  29   6.650   5.784   6.386
  356   1HG   GLN  29          2HG       GLN  29   6.380   5.039   8.731
  357   2HG   GLN  29          3HG       GLN  29   8.069   4.501   8.771
  358   1HE2  GLN  29          2HE2      GLN  29   7.582   8.591   8.558
  359   2HE2  GLN  29          1HE2      GLN  29   6.596   7.575   7.519
  360    QB   GLN  29           QB       GLN  29   7.514   5.609   6.426
  361    QG   GLN  29           QG       GLN  29   7.225   4.770   8.751
  362    QE2  GLN  29           QE2      GLN  29   7.089   8.083   8.038
  363    H    CYS  30           HN       CYS  30   4.841   3.601   7.492
  364    HA   CYS  30           HA       CYS  30   3.218   2.779   5.218
  365   1HB   CYS  30          2HB       CYS  30   2.492   3.638   8.034
  366   2HB   CYS  30          3HB       CYS  30   1.353   3.025   6.826
  367    QB   CYS  30           QB       CYS  30   1.923   3.331   7.430
  368    H    LEU  31           HN       LEU  31   1.978   4.066   3.940
  369    HA   LEU  31           HA       LEU  31   1.616   6.928   4.624
  370   1HB   LEU  31          2HB       LEU  31   2.558   5.808   1.953
  371   2HB   LEU  31          3HB       LEU  31   2.268   7.512   2.300
  372    HG   LEU  31           HG       LEU  31   4.500   5.791   3.515
  373   1HD1  LEU  31          3HD1      LEU  31   4.673   6.243   1.089
  374   2HD1  LEU  31          1HD1      LEU  31   4.561   7.986   1.407
  375   3HD1  LEU  31          2HD1      LEU  31   5.945   7.057   2.030
  376   1HD2  LEU  31          3HD2      LEU  31   3.918   8.788   3.699
  377   2HD2  LEU  31          1HD2      LEU  31   3.912   7.647   5.052
  378   3HD2  LEU  31          2HD2      LEU  31   5.429   7.997   4.221
  379    QB   LEU  31           QB       LEU  31   2.413   6.660   2.126
  380    QD1  LEU  31           QD1      LEU  31   5.060   7.096   1.509
  381    QD2  LEU  31           QD2      LEU  31   4.420   8.144   4.324
  382    QQD  LEU  31           QQD      LEU  31   4.740   7.620   2.916
  383    HA   PRO  32           HA       PRO  32  -2.373   5.963   2.662
  384   1HB   PRO  32          2HB       PRO  32  -3.358   8.442   2.219
  385   2HB   PRO  32          3HB       PRO  32  -3.155   7.813   3.875
  386   1HG   PRO  32          2HG       PRO  32  -1.247   9.602   2.340
  387   2HG   PRO  32          3HG       PRO  32  -1.877   9.852   3.993
  388   1HD   PRO  32          2HD       PRO  32   0.555   8.706   3.515
  389   2HD   PRO  32          3HD       PRO  32  -0.476   8.161   4.872
  390    QB   PRO  32           QB       PRO  32  -3.257   8.128   3.047
  391    QG   PRO  32           QG       PRO  32  -1.562   9.727   3.166
  392    QD   PRO  32           QD       PRO  32   0.039   8.433   4.194
  393    H    PHE  33           HN       PHE  33  -3.355   6.159   0.476
  394    HA   PHE  33           HA       PHE  33  -2.350   7.923  -1.512
  395   1HB   PHE  33          2HB       PHE  33  -1.268   6.468  -3.011
  396   2HB   PHE  33          3HB       PHE  33  -0.451   6.204  -1.495
  397    HD1  PHE  33          2HD       PHE  33  -1.970   4.226  -0.013
  398    HD2  PHE  33          1HD       PHE  33  -1.491   4.553  -4.285
  399    HE1  PHE  33          2HE       PHE  33  -2.266   1.794  -0.234
  400    HE2  PHE  33          1HE       PHE  33  -1.713   2.117  -4.491
  401    HZ   PHE  33           HZ       PHE  33  -1.995   0.710  -2.390
  402    QB   PHE  33           QB       PHE  33  -0.860   6.336  -2.253
  403    QR   PHE  33           QR       PHE  33  -1.860   3.173  -2.256
  404    H    ASP  34           HN       ASP  34  -3.353   7.109  -3.793
  405    HA   ASP  34           HA       ASP  34  -6.076   6.004  -3.330
  406   1HB   ASP  34          2HB       ASP  34  -4.706   7.376  -5.684
  407   2HB   ASP  34          3HB       ASP  34  -6.330   6.696  -5.715
  408    QB   ASP  34           QB       ASP  34  -5.518   7.036  -5.700
  409    OH   TYR  35           OH       TYR  35  -5.137  -3.619  -7.284
  410    H    TYR  35           HN       TYR  35  -6.176   3.783  -3.706
  411    HA   TYR  35           HA       TYR  35  -4.202   2.506  -5.503
  412   1HB   TYR  35          2HB       TYR  35  -4.970   1.258  -3.515
  413   2HB   TYR  35          3HB       TYR  35  -6.640   1.413  -4.053
  414    HD1  TYR  35           HD1      TYR  35  -3.660   0.504  -6.151
  415    HD2  TYR  35           HD2      TYR  35  -7.321  -0.843  -4.409
  416    HE1  TYR  35           HE1      TYR  35  -3.587  -1.500  -7.575
  417    HE2  TYR  35           HE2      TYR  35  -6.935  -3.106  -5.422
  418    HH   TYR  35           HH       TYR  35  -5.988  -4.080  -7.303
  419    QB   TYR  35           QB       TYR  35  -5.805   1.336  -3.784
  420    QR   TYR  35           QR       TYR  35  -5.376  -1.236  -5.889
  421    H    SER  36           HN       SER  36  -4.958   1.529  -7.535
  422    HA   SER  36           HA       SER  36  -7.269   2.892  -8.724
  423   1HB   SER  36          2HB       SER  36  -6.730   1.719 -10.702
  424   2HB   SER  36          3HB       SER  36  -5.272   2.483 -10.087
  425    HG   SER  36           HG       SER  36  -4.485   0.548  -9.476
  426    QB   SER  36           QB       SER  36  -6.001   2.101 -10.395
  427    H    GLY  37           HN       GLY  37  -6.489  -0.556  -8.821
  428   1HA   GLY  37          1HA       GLY  37  -8.461  -1.579  -7.068
  429   2HA   GLY  37          2HA       GLY  37  -9.256  -1.335  -8.618
  430    QA   GLY  37           QA       GLY  37  -8.858  -1.457  -7.843
  431    H    CYS  38           HN       CYS  38  -7.044  -1.911 -10.336
  432    HA   CYS  38           HA       CYS  38  -6.662  -4.829  -9.885
  433   1HB   CYS  38          2HB       CYS  38  -6.579  -5.142 -12.249
  434   2HB   CYS  38          3HB       CYS  38  -8.158  -4.539 -11.768
  435    QB   CYS  38           QB       CYS  38  -7.369  -4.841 -12.008
  436    H    GLY  39           HN       GLY  39  -4.702  -5.686 -10.533
  437   1HA   GLY  39          1HA       GLY  39  -2.473  -5.837 -10.776
  438   2HA   GLY  39          2HA       GLY  39  -2.555  -4.380 -11.756
  439    QA   GLY  39           QA       GLY  39  -2.514  -5.109 -11.266
  440    H    GLY  40           HN       GLY  40  -3.513  -4.277  -8.320
  441   1HA   GLY  40          1HA       GLY  40  -1.392  -2.560  -7.448
  442   2HA   GLY  40          2HA       GLY  40  -2.495  -3.448  -6.455
  443    QA   GLY  40           QA       GLY  40  -1.943  -3.004  -6.952
  444    H    ASN  41           HN       ASN  41  -1.224  -4.336  -4.977
  445    HA   ASN  41           HA       ASN  41   0.017  -6.816  -5.532
  446   1HB   ASN  41          2HB       ASN  41   2.166  -6.291  -4.575
  447   2HB   ASN  41          3HB       ASN  41   1.937  -5.294  -5.990
  448   1HD2  ASN  41          2HD2      ASN  41   3.045  -2.534  -4.034
  449   2HD2  ASN  41          1HD2      ASN  41   3.293  -3.638  -5.366
  450    QB   ASN  41           QB       ASN  41   2.052  -5.793  -5.283
  451    QD2  ASN  41           QD2      ASN  41   3.169  -3.086  -4.700
  452    H    ALA  42           HN       ALA  42   1.002  -7.389  -3.100
  453    HA   ALA  42           HA       ALA  42  -1.381  -7.355  -1.423
  454   1HB   ALA  42          1HB       ALA  42   1.427  -8.473  -0.999
  455   2HB   ALA  42          2HB       ALA  42   0.046  -8.779   0.070
  456   3HB   ALA  42          3HB       ALA  42   0.027  -9.371  -1.604
  457    QB   ALA  42           QB       ALA  42   0.500  -8.874  -0.844
  458    H    ASN  43           HN       ASN  43   1.139  -5.109  -1.677
  459    HA   ASN  43           HA       ASN  43   1.320  -4.382   1.141
  460   1HB   ASN  43          2HB       ASN  43   3.094  -4.060  -0.805
  461   2HB   ASN  43          3HB       ASN  43   2.156  -2.649  -1.217
  462   1HD2  ASN  43          2HD2      ASN  43   4.803  -1.469   1.095
  463   2HD2  ASN  43          1HD2      ASN  43   4.802  -2.289  -0.424
  464    QB   ASN  43           QB       ASN  43   2.625  -3.354  -1.011
  465    QD2  ASN  43           QD2      ASN  43   4.802  -1.879   0.335
  466    NH1  ARG  44           NH2      ARG  44  -1.998  -0.563  -4.489
  467    NH2  ARG  44           NH1      ARG  44  -0.628  -2.338  -4.056
  468    H    ARG  44           HN       ARG  44  -1.197  -4.366   1.187
  469    HA   ARG  44           HA       ARG  44  -2.058  -1.540   0.863
  470   1HB   ARG  44          2HB       ARG  44  -2.548  -3.410  -1.112
  471   2HB   ARG  44          3HB       ARG  44  -4.077  -3.411  -0.236
  472   1HG   ARG  44          2HG       ARG  44  -4.412  -1.070  -0.570
  473   2HG   ARG  44          3HG       ARG  44  -2.720  -0.822  -1.027
  474   1HD   ARG  44          2HD       ARG  44  -4.843  -2.227  -2.676
  475   2HD   ARG  44          3HD       ARG  44  -4.096  -0.693  -2.972
  476    HE   ARG  44           HE       ARG  44  -2.716  -3.372  -3.148
  477   1HH1  ARG  44          2HH2      ARG  44  -2.867  -0.078  -4.349
  478   2HH1  ARG  44          1HH2      ARG  44  -1.332  -0.185  -5.159
  479   1HH2  ARG  44          2HH1      ARG  44  -0.361  -3.116  -3.446
  480   2HH2  ARG  44          1HH1      ARG  44   0.118  -1.852  -4.521
  481    QB   ARG  44           QB       ARG  44  -3.312  -3.410  -0.674
  482    QG   ARG  44           QG       ARG  44  -3.566  -0.946  -0.799
  483    QD   ARG  44           QD       ARG  44  -4.469  -1.460  -2.824
  484    QH1  ARG  44           QH2      ARG  44  -2.100  -0.131  -4.754
  485    QH2  ARG  44           QH1      ARG  44  -0.121  -2.484  -3.983
  486    H    PHE  45           HN       PHE  45  -3.309  -0.819   2.372
  487    HA   PHE  45           HA       PHE  45  -4.779  -2.623   4.262
  488   1HB   PHE  45          2HB       PHE  45  -2.827  -0.390   4.918
  489   2HB   PHE  45          3HB       PHE  45  -3.783  -1.304   6.067
  490    HD1  PHE  45          2HD       PHE  45  -3.288  -3.716   6.511
  491    HD2  PHE  45          1HD       PHE  45  -0.856  -1.396   3.801
  492    HE1  PHE  45          2HE       PHE  45  -1.512  -5.420   6.643
  493    HE2  PHE  45          1HE       PHE  45   0.932  -3.107   3.947
  494    HZ   PHE  45           HZ       PHE  45   0.628  -5.089   5.420
  495    QB   PHE  45           QB       PHE  45  -3.305  -0.847   5.492
  496    QR   PHE  45           QR       PHE  45  -1.181  -3.410   5.225
  497    H    LYS  46           HN       LYS  46  -6.638  -1.709   5.072
  498    HA   LYS  46           HA       LYS  46  -7.569   0.713   3.769
  499   1HB   LYS  46          2HB       LYS  46  -8.731  -1.277   5.683
  500   2HB   LYS  46          3HB       LYS  46  -9.425   0.338   5.727
  501   1HG   LYS  46          2HG       LYS  46  -9.123  -1.103   3.070
  502   2HG   LYS  46          3HG       LYS  46 -10.454  -1.463   4.173
  503   1HD   LYS  46          2HD       LYS  46 -11.220   0.124   2.561
  504   2HD   LYS  46          3HD       LYS  46 -11.208   0.870   4.163
  505   1HE   LYS  46          2HE       LYS  46  -9.188   2.154   3.607
  506   2HE   LYS  46          3HE       LYS  46  -8.998   1.264   2.079
  507   1HZ   LYS  46          2HZ       LYS  46 -11.067   2.270   1.360
  508   2HZ   LYS  46          3HZ       LYS  46 -11.116   3.177   2.755
  509   3HZ   LYS  46          1HZ       LYS  46  -9.878   3.349   1.684
  510    QB   LYS  46           QB       LYS  46  -9.078  -0.469   5.705
  511    QG   LYS  46           QG       LYS  46  -9.788  -1.283   3.621
  512    QD   LYS  46           QD       LYS  46 -11.214   0.497   3.362
  513    QE   LYS  46           QE       LYS  46  -9.093   1.709   2.843
  514    QZ   LYS  46           QZ       LYS  46 -10.687   2.932   1.933
  515    H    THR  47           HN       THR  47  -5.695   0.050   6.618
  516    HA   THR  47           HA       THR  47  -6.054   2.899   7.432
  517    HB   THR  47           HB       THR  47  -6.175   2.373   9.728
  518    HG1  THR  47          1HG       THR  47  -6.322   0.079  10.315
  519   1HG2  THR  47          1HG2      THR  47  -8.334   2.234   8.453
  520   2HG2  THR  47          2HG2      THR  47  -8.126   0.469   8.361
  521   3HG2  THR  47          3HG2      THR  47  -8.308   1.261   9.933
  522    QG2  THR  47           QG2      THR  47  -8.256   1.321   8.916
  523    H    ILE  48           HN       ILE  48  -4.296   3.914   8.297
  524    HA   ILE  48           HA       ILE  48  -1.670   2.998   7.773
  525    HB   ILE  48           HB       ILE  48  -2.480   5.415   8.399
  526   1HG1  ILE  48          2HG1      ILE  48  -0.371   5.870   9.859
  527   2HG1  ILE  48          3HG1      ILE  48   0.012   4.162   9.614
  528   1HG2  ILE  48          2HG2      ILE  48  -3.614   4.603  10.559
  529   2HG2  ILE  48          3HG2      ILE  48  -1.947   4.487  11.208
  530   3HG2  ILE  48          1HG2      ILE  48  -2.581   6.046  10.680
  531   1HD1  ILE  48          2HD1      ILE  48  -0.084   4.598   7.143
  532   2HD1  ILE  48          3HD1      ILE  48  -0.352   6.321   7.515
  533   3HD1  ILE  48          1HD1      ILE  48   1.159   5.534   8.022
  534    QG1  ILE  48           QG1      ILE  48  -0.179   5.016   9.736
  535    QG2  ILE  48           QG2      ILE  48  -2.714   5.045  10.815
  536    QD1  ILE  48           QD1      ILE  48   0.241   5.484   7.560
  537    H    GLU  49           HN       GLU  49  -3.813   2.525  10.607
  538    HA   GLU  49           HA       GLU  49  -1.661   1.557  12.209
  539   1HB   GLU  49          2HB       GLU  49  -4.662   1.127  12.626
  540   2HB   GLU  49          3HB       GLU  49  -3.370   0.994  13.829
  541   1HG   GLU  49          2HG       GLU  49  -2.923   3.533  12.807
  542   2HG   GLU  49          3HG       GLU  49  -4.688   3.439  12.745
  543    QB   GLU  49           QB       GLU  49  -4.016   1.061  13.228
  544    QG   GLU  49           QG       GLU  49  -3.806   3.486  12.776
  545    H    GLU  50           HN       GLU  50  -3.987  -0.079  10.029
  546    HA   GLU  50           HA       GLU  50  -3.143  -2.680  10.917
  547   1HB   GLU  50          2HB       GLU  50  -5.280  -2.069   9.589
  548   2HB   GLU  50          3HB       GLU  50  -4.243  -2.081   8.156
  549   1HG   GLU  50          2HG       GLU  50  -5.255  -4.261   8.371
  550   2HG   GLU  50          3HG       GLU  50  -3.581  -4.488   8.918
  551    QB   GLU  50           QB       GLU  50  -4.762  -2.075   8.872
  552    QG   GLU  50           QG       GLU  50  -4.418  -4.374   8.645
  553    H    CYS  51           HN       CYS  51  -2.131  -0.500   8.212
  554    HA   CYS  51           HA       CYS  51  -0.056  -2.151   7.187
  555   1HB   CYS  51          2HB       CYS  51  -0.637  -0.105   6.009
  556   2HB   CYS  51          3HB       CYS  51  -0.135   0.894   7.372
  557    QB   CYS  51           QB       CYS  51  -0.386   0.394   6.691
  558    NH1  ARG  52           NH2      ARG  52   2.076   2.834  15.590
  559    NH2  ARG  52           NH1      ARG  52  -0.128   3.438  15.271
  560    H    ARG  52           HN       ARG  52   0.153   0.366   9.758
  561    HA   ARG  52           HA       ARG  52   2.858  -0.130  10.349
  562   1HB   ARG  52          2HB       ARG  52   1.408   1.823  10.922
  563   2HB   ARG  52          3HB       ARG  52   0.724   0.877  12.262
  564   1HG   ARG  52          2HG       ARG  52   2.860   0.855  13.397
  565   2HG   ARG  52          3HG       ARG  52   3.724   1.331  11.921
  566   1HD   ARG  52          2HD       ARG  52   3.515   3.297  13.418
  567   2HD   ARG  52          3HD       ARG  52   2.725   3.508  11.879
  568    HE   ARG  52           HE       ARG  52   0.659   3.537  12.770
  569   1HH1  ARG  52          2HH2      ARG  52   2.973   2.592  15.201
  570   2HH1  ARG  52          1HH2      ARG  52   1.946   2.781  16.589
  571   1HH2  ARG  52          2HH1      ARG  52  -0.999   3.641  14.757
  572   2HH2  ARG  52          1HH1      ARG  52  -0.300   3.375  16.263
  573    QB   ARG  52           QB       ARG  52   1.066   1.350  11.592
  574    QG   ARG  52           QG       ARG  52   3.292   1.093  12.659
  575    QD   ARG  52           QD       ARG  52   3.120   3.402  12.648
  576    QH1  ARG  52           QH2      ARG  52   2.460   2.687  15.895
  577    QH2  ARG  52           QH1      ARG  52  -0.650   3.508  15.510
  578    NH1  ARG  53           NH2      ARG  53  -4.449  -5.271  16.547
  579    NH2  ARG  53           NH1      ARG  53  -3.201  -6.526  18.048
  580    H    ARG  53           HN       ARG  53  -0.080  -1.694  11.726
  581    HA   ARG  53           HA       ARG  53   1.423  -3.150  13.694
  582   1HB   ARG  53          2HB       ARG  53  -1.027  -2.590  13.741
  583   2HB   ARG  53          3HB       ARG  53  -1.300  -3.862  12.536
  584   1HG   ARG  53          2HG       ARG  53  -0.370  -5.529  14.147
  585   2HG   ARG  53          3HG       ARG  53  -0.017  -4.214  15.290
  586   1HD   ARG  53          2HD       ARG  53  -2.454  -3.641  15.322
  587   2HD   ARG  53          3HD       ARG  53  -2.764  -5.039  14.260
  588    HE   ARG  53           HE       ARG  53  -1.283  -5.909  16.529
  589   1HH1  ARG  53          2HH2      ARG  53  -4.485  -4.733  15.691
  590   2HH1  ARG  53          1HH2      ARG  53  -5.306  -5.438  17.049
  591   1HH2  ARG  53          2HH1      ARG  53  -2.315  -6.903  18.352
  592   2HH2  ARG  53          1HH1      ARG  53  -4.023  -6.737  18.596
  593    QB   ARG  53           QB       ARG  53  -1.163  -3.226  13.138
  594    QG   ARG  53           QG       ARG  53  -0.194  -4.871  14.718
  595    QD   ARG  53           QD       ARG  53  -2.609  -4.340  14.791
  596    QH1  ARG  53           QH2      ARG  53  -4.896  -5.086  16.370
  597    QH2  ARG  53           QH1      ARG  53  -3.169  -6.820  18.474
  598    H    THR  54           HN       THR  54   0.738  -3.747  10.275
  599    HA   THR  54           HA       THR  54   1.517  -6.570  10.462
  600    HB   THR  54           HB       THR  54   0.984  -4.840   8.025
  601    HG1  THR  54          1HG       THR  54  -0.808  -4.907   9.393
  602   1HG2  THR  54          3HG2      THR  54   0.941  -7.865   8.478
  603   2HG2  THR  54          1HG2      THR  54   0.405  -7.042   7.003
  604   3HG2  THR  54          2HG2      THR  54   2.119  -6.989   7.470
  605    QG2  THR  54           QG2      THR  54   1.155  -7.299   7.650
  606    H    CYS  55           HN       CYS  55   2.953  -3.559   9.153
  607    HA   CYS  55           HA       CYS  55   5.393  -4.972   8.268
  608   1HB   CYS  55          2HB       CYS  55   4.305  -2.190   8.071
  609   2HB   CYS  55          3HB       CYS  55   6.032  -2.444   7.885
  610    QB   CYS  55           QB       CYS  55   5.168  -2.317   7.978
  611    H    VAL  56           HN       VAL  56   4.380  -2.752  10.876
  612    HA   VAL  56           HA       VAL  56   7.092  -2.754  12.091
  613    HB   VAL  56           HB       VAL  56   4.851  -0.753  12.599
  614   1HG1  VAL  56          2HG1      VAL  56   7.828  -0.622  13.089
  615   2HG1  VAL  56          3HG1      VAL  56   6.716   0.757  13.208
  616   3HG1  VAL  56          1HG1      VAL  56   6.515  -0.598  14.298
  617   1HG2  VAL  56          2HG2      VAL  56   7.018  -0.553  10.490
  618   2HG2  VAL  56          3HG2      VAL  56   5.257  -0.565  10.214
  619   3HG2  VAL  56          1HG2      VAL  56   5.999   0.799  11.035
  620    QG1  VAL  56           QG1      VAL  56   7.020  -0.154  13.532
  621    QG2  VAL  56           QG2      VAL  56   6.091  -0.106  10.579
  622    QQG  VAL  56           QQG      VAL  56   6.556  -0.130  12.056
  623    H    GLY  57           HN       GLY  57   6.822  -2.571  14.635
  624   1HA   GLY  57          1HA       GLY  57   4.865  -3.093  16.308
  625   2HA   GLY  57          2HA       GLY  57   5.083  -4.706  15.576
  626    QA   GLY  57           QA       GLY  57   4.974  -3.900  15.942
   
  Start of MODEL           8
 Raw file had  626 H/Q atoms
  Start of MODEL    8
    1    H    ALA   1           HN       ALA   1   7.119  -6.175  10.464
    2    HA   ALA   1           HA       ALA   1   7.199  -6.176   7.985
    3   1HB   ALA   1          1HB       ALA   1   9.260  -5.977   9.151
    4   2HB   ALA   1          2HB       ALA   1   9.416  -7.754   9.219
    5   3HB   ALA   1          3HB       ALA   1   9.419  -6.903   7.645
    6    QB   ALA   1           QB       ALA   1   9.365  -6.878   8.671
    7    H    ALA   2           HN       ALA   2   7.090  -7.190   6.065
    8    HA   ALA   2           HA       ALA   2   6.463 -10.091   5.947
    9   1HB   ALA   2          1HB       ALA   2   4.308  -8.852   6.097
   10   2HB   ALA   2          2HB       ALA   2   4.795  -7.872   4.697
   11   3HB   ALA   2          3HB       ALA   2   4.553  -9.624   4.523
   12    QB   ALA   2           QB       ALA   2   4.552  -8.783   5.106
   13    H    LYS   3           HN       LYS   3   6.417 -10.685   3.511
   14    HA   LYS   3           HA       LYS   3   8.831  -9.659   2.222
   15   1HB   LYS   3          2HB       LYS   3   6.848 -11.809   1.714
   16   2HB   LYS   3          3HB       LYS   3   7.223 -10.890   0.274
   17   1HG   LYS   3          2HG       LYS   3   8.719 -12.452   0.013
   18   2HG   LYS   3          3HG       LYS   3   9.749 -11.320   0.848
   19   1HD   LYS   3          2HD       LYS   3   8.256 -13.465   2.451
   20   2HD   LYS   3          3HD       LYS   3   9.529 -13.969   1.363
   21   1HE   LYS   3          2HE       LYS   3  10.626 -13.784   3.404
   22   2HE   LYS   3          3HE       LYS   3  11.127 -12.369   2.483
   23   1HZ   LYS   3          3HZ       LYS   3   9.348 -11.167   3.738
   24   2HZ   LYS   3          1HZ       LYS   3   9.163 -12.509   4.675
   25   3HZ   LYS   3          2HZ       LYS   3  10.602 -11.718   4.671
   26    QB   LYS   3           QB       LYS   3   7.036 -11.349   0.994
   27    QG   LYS   3           QG       LYS   3   9.234 -11.886   0.431
   28    QD   LYS   3           QD       LYS   3   8.893 -13.717   1.907
   29    QE   LYS   3           QE       LYS   3  10.876 -13.076   2.944
   30    QZ   LYS   3           QZ       LYS   3   9.704 -11.798   4.361
   31    OH   TYR   4           OH       TYR   4   1.186  -8.932   5.246
   32    H    TYR   4           HN       TYR   4   5.337  -9.469   1.560
   33    HA   TYR   4           HA       TYR   4   5.611  -7.789  -0.664
   34   1HB   TYR   4          2HB       TYR   4   3.179  -7.336  -0.331
   35   2HB   TYR   4          3HB       TYR   4   3.657  -9.036  -0.361
   36    HD1  TYR   4           HD2      TYR   4   2.857  -6.224   1.995
   37    HD2  TYR   4           HD1      TYR   4   2.879 -10.489   1.336
   38    HE1  TYR   4           HE2      TYR   4   1.912  -6.579   4.218
   39    HE2  TYR   4           HE1      TYR   4   1.778 -10.824   3.532
   40    HH   TYR   4           HH       TYR   4   0.851  -8.136   5.662
   41    QB   TYR   4           QB       TYR   4   3.418  -8.186  -0.346
   42    QR   TYR   4           QR       TYR   4   2.357  -8.529   2.770
   43    H    CYS   5           HN       CYS   5   5.916  -6.979   2.629
   44    HA   CYS   5           HA       CYS   5   5.071  -4.252   2.673
   45   1HB   CYS   5          2HB       CYS   5   5.745  -5.556   4.654
   46   2HB   CYS   5          3HB       CYS   5   7.435  -5.469   4.154
   47    QB   CYS   5           QB       CYS   5   6.590  -5.513   4.404
   48    H    LYS   6           HN       LYS   6   7.862  -5.788   1.289
   49    HA   LYS   6           HA       LYS   6   9.426  -3.396   0.751
   50   1HB   LYS   6          2HB       LYS   6   9.554  -6.265  -0.126
   51   2HB   LYS   6          3HB       LYS   6  10.442  -5.048  -1.044
   52   1HG   LYS   6          2HG       LYS   6  11.625  -4.246   0.788
   53   2HG   LYS   6          3HG       LYS   6  10.629  -5.130   1.965
   54   1HD   LYS   6          2HD       LYS   6  12.290  -6.528  -0.139
   55   2HD   LYS   6          3HD       LYS   6  13.032  -5.965   1.367
   56   1HE   LYS   6          2HE       LYS   6  10.605  -7.829   1.284
   57   2HE   LYS   6          3HE       LYS   6  12.277  -8.401   1.383
   58   1HZ   LYS   6          2HZ       LYS   6  12.522  -7.153   3.423
   59   2HZ   LYS   6          3HZ       LYS   6  10.956  -6.650   3.353
   60   3HZ   LYS   6          1HZ       LYS   6  11.294  -8.239   3.553
   61    QB   LYS   6           QB       LYS   6   9.998  -5.657  -0.585
   62    QG   LYS   6           QG       LYS   6  11.127  -4.688   1.377
   63    QD   LYS   6           QD       LYS   6  12.661  -6.247   0.614
   64    QE   LYS   6           QE       LYS   6  11.441  -8.115   1.334
   65    QZ   LYS   6           QZ       LYS   6  11.590  -7.347   3.443
   66    H    LEU   7           HN       LEU   7   6.595  -4.692  -0.903
   67    HA   LEU   7           HA       LEU   7   7.406  -3.961  -3.512
   68   1HB   LEU   7          2HB       LEU   7   4.641  -4.203  -2.311
   69   2HB   LEU   7          3HB       LEU   7   4.990  -4.107  -4.035
   70    HG   LEU   7           HG       LEU   7   6.282  -6.308  -2.393
   71   1HD1  LEU   7          1HD1      LEU   7   3.656  -6.214  -2.155
   72   2HD1  LEU   7          2HD1      LEU   7   3.711  -6.706  -3.856
   73   3HD1  LEU   7          3HD1      LEU   7   4.437  -7.745  -2.646
   74   1HD2  LEU   7          1HD2      LEU   7   5.336  -6.064  -5.292
   75   2HD2  LEU   7          2HD2      LEU   7   7.027  -6.015  -4.738
   76   3HD2  LEU   7          3HD2      LEU   7   6.064  -7.507  -4.572
   77    QB   LEU   7           QB       LEU   7   4.816  -4.155  -3.173
   78    QD1  LEU   7           QD1      LEU   7   3.934  -6.889  -2.886
   79    QD2  LEU   7           QD2      LEU   7   6.142  -6.528  -4.867
   80    QQD  LEU   7           QQD      LEU   7   5.038  -6.708  -3.877
   81    HA   PRO   8           HA       PRO   8   7.024   0.441  -3.083
   82   1HB   PRO   8          2HB       PRO   8   7.201   1.281  -5.689
   83   2HB   PRO   8          3HB       PRO   8   8.532   0.438  -4.853
   84   1HG   PRO   8          2HG       PRO   8   6.429  -0.786  -6.666
   85   2HG   PRO   8          3HG       PRO   8   8.207  -0.944  -6.790
   86   1HD   PRO   8          2HD       PRO   8   6.677  -2.831  -5.521
   87   2HD   PRO   8          3HD       PRO   8   8.300  -2.375  -4.912
   88    QB   PRO   8           QB       PRO   8   7.866   0.859  -5.271
   89    QG   PRO   8           QG       PRO   8   7.318  -0.865  -6.728
   90    QD   PRO   8           QD       PRO   8   7.488  -2.603  -5.217
   91    H    LEU   9           HN       LEU   9   5.818   2.333  -4.483
   92    HA   LEU   9           HA       LEU   9   3.091   2.229  -3.760
   93   1HB   LEU   9          2HB       LEU   9   4.343   4.306  -3.913
   94   2HB   LEU   9          3HB       LEU   9   4.599   4.090  -5.637
   95    HG   LEU   9           HG       LEU   9   2.308   4.479  -6.157
   96   1HD1  LEU   9          2HD1      LEU   9   1.731   4.214  -3.174
   97   2HD1  LEU   9          3HD1      LEU   9   0.614   4.924  -4.339
   98   3HD1  LEU   9          1HD1      LEU   9   1.075   3.225  -4.485
   99   1HD2  LEU   9          2HD2      LEU   9   3.693   6.476  -5.526
  100   2HD2  LEU   9          3HD2      LEU   9   1.949   6.711  -5.307
  101   3HD2  LEU   9          1HD2      LEU   9   2.982   6.404  -3.896
  102    QB   LEU   9           QB       LEU   9   4.471   4.198  -4.775
  103    QD1  LEU   9           QD1      LEU   9   1.140   4.121  -4.000
  104    QD2  LEU   9           QD2      LEU   9   2.875   6.530  -4.910
  105    QQD  LEU   9           QQD      LEU   9   2.007   5.326  -4.455
  106    NH1  ARG  10           NH2      ARG  10   0.963  -4.446 -10.015
  107    NH2  ARG  10           NH1      ARG  10   1.220  -3.113 -11.885
  108    H    ARG  10           HN       ARG  10   2.166   0.434  -4.640
  109    HA   ARG  10           HA       ARG  10   1.999   0.168  -7.583
  110   1HB   ARG  10          2HB       ARG  10   2.822  -1.602  -5.966
  111   2HB   ARG  10          3HB       ARG  10   1.151  -1.702  -5.382
  112   1HG   ARG  10          2HG       ARG  10   1.367  -3.436  -6.962
  113   2HG   ARG  10          3HG       ARG  10   0.488  -2.169  -7.825
  114   1HD   ARG  10          2HD       ARG  10   3.261  -1.707  -8.316
  115   2HD   ARG  10          3HD       ARG  10   3.080  -3.449  -8.399
  116    HE   ARG  10           HE       ARG  10   2.252  -1.490 -10.302
  117   1HH1  ARG  10          2HH2      ARG  10   0.882  -4.559  -9.002
  118   2HH1  ARG  10          1HH2      ARG  10   0.603  -5.205 -10.573
  119   1HH2  ARG  10          2HH1      ARG  10   1.563  -2.276 -12.333
  120   2HH2  ARG  10          1HH1      ARG  10   0.800  -3.824 -12.468
  121    QB   ARG  10           QB       ARG  10   1.987  -1.652  -5.674
  122    QG   ARG  10           QG       ARG  10   0.928  -2.803  -7.394
  123    QD   ARG  10           QD       ARG  10   3.171  -2.578  -8.358
  124    QH1  ARG  10           QH2      ARG  10   0.742  -4.882  -9.787
  125    QH2  ARG  10           QH1      ARG  10   1.181  -3.050 -12.401
  126    H    ILE  11           HN       ILE  11   0.570   2.042  -7.649
  127    HA   ILE  11           HA       ILE  11  -2.111   2.125  -6.720
  128    HB   ILE  11           HB       ILE  11  -0.910   3.134  -9.318
  129   1HG1  ILE  11          2HG1      ILE  11  -1.472   4.688  -6.761
  130   2HG1  ILE  11          3HG1      ILE  11   0.092   3.919  -7.026
  131   1HG2  ILE  11          2HG2      ILE  11  -3.556   3.673  -7.903
  132   2HG2  ILE  11          3HG2      ILE  11  -2.888   4.802  -9.084
  133   3HG2  ILE  11          1HG2      ILE  11  -3.301   3.159  -9.577
  134   1HD1  ILE  11          2HD1      ILE  11   0.452   5.190  -9.070
  135   2HD1  ILE  11          3HD1      ILE  11  -1.091   6.045  -8.828
  136   3HD1  ILE  11          1HD1      ILE  11   0.217   6.228  -7.650
  137    QG1  ILE  11           QG1      ILE  11  -0.690   4.303  -6.894
  138    QG2  ILE  11           QG2      ILE  11  -3.248   3.878  -8.854
  139    QD1  ILE  11           QD1      ILE  11  -0.140   5.821  -8.516
  140    H    GLY  12           HN       GLY  12  -0.604   0.320  -9.314
  141   1HA   GLY  12          1HA       GLY  12  -1.345  -1.687 -10.228
  142   2HA   GLY  12          2HA       GLY  12  -3.028  -1.357  -9.779
  143    QA   GLY  12           QA       GLY  12  -2.187  -1.522 -10.003
  144    HA   PRO  13           HA       PRO  13  -1.872   0.035 -14.142
  145   1HB   PRO  13          2HB       PRO  13  -3.468  -1.647 -15.619
  146   2HB   PRO  13          3HB       PRO  13  -1.831  -2.065 -15.047
  147   1HG   PRO  13          2HG       PRO  13  -4.470  -2.801 -13.774
  148   2HG   PRO  13          3HG       PRO  13  -3.070  -3.867 -14.097
  149   1HD   PRO  13          2HD       PRO  13  -3.502  -2.731 -11.645
  150   2HD   PRO  13          3HD       PRO  13  -1.839  -2.931 -12.272
  151    QB   PRO  13           QB       PRO  13  -2.649  -1.856 -15.333
  152    QG   PRO  13           QG       PRO  13  -3.770  -3.334 -13.935
  153    QD   PRO  13           QD       PRO  13  -2.671  -2.831 -11.958
  154    H    CYS  14           HN       CYS  14  -5.023  -0.368 -12.384
  155    HA   CYS  14           HA       CYS  14  -6.455   0.895 -14.544
  156   1HB   CYS  14          2HB       CYS  14  -7.051  -0.331 -11.912
  157   2HB   CYS  14          3HB       CYS  14  -8.168   0.885 -12.445
  158    QB   CYS  14           QB       CYS  14  -7.609   0.277 -12.179
  159    H    LYS  15           HN       LYS  15  -7.878   2.790 -14.033
  160    HA   LYS  15           HA       LYS  15  -6.237   4.980 -12.809
  161   1HB   LYS  15          2HB       LYS  15  -7.352   4.634 -15.575
  162   2HB   LYS  15          3HB       LYS  15  -7.544   6.221 -14.836
  163   1HG   LYS  15          2HG       LYS  15  -5.566   6.253 -16.106
  164   2HG   LYS  15          3HG       LYS  15  -5.178   6.417 -14.396
  165   1HD   LYS  15          2HD       LYS  15  -5.064   3.597 -15.249
  166   2HD   LYS  15          3HD       LYS  15  -4.102   4.571 -16.329
  167   1HE   LYS  15          2HE       LYS  15  -3.809   4.553 -13.279
  168   2HE   LYS  15          3HE       LYS  15  -2.813   3.631 -14.405
  169   1HZ   LYS  15          1HZ       LYS  15  -2.073   5.707 -15.368
  170   2HZ   LYS  15          2HZ       LYS  15  -2.985   6.571 -14.305
  171   3HZ   LYS  15          3HZ       LYS  15  -1.742   5.649 -13.759
  172    QB   LYS  15           QB       LYS  15  -7.448   5.427 -15.206
  173    QG   LYS  15           QG       LYS  15  -5.372   6.335 -15.251
  174    QD   LYS  15           QD       LYS  15  -4.583   4.084 -15.789
  175    QE   LYS  15           QE       LYS  15  -3.311   4.092 -13.842
  176    QZ   LYS  15           QZ       LYS  15  -2.267   5.976 -14.477
  177    NH1  ARG  16           NH2      ARG  16 -14.262   0.463  -9.258
  178    NH2  ARG  16           NH1      ARG  16 -12.549  -1.089  -9.445
  179    H    ARG  16           HN       ARG  16  -7.729   3.761 -11.225
  180    HA   ARG  16           HA       ARG  16 -10.111   5.480 -10.782
  181   1HB   ARG  16          2HB       ARG  16  -9.654   2.558 -10.392
  182   2HB   ARG  16          3HB       ARG  16 -10.536   3.377  -9.096
  183   1HG   ARG  16          2HG       ARG  16 -11.967   4.330 -11.150
  184   2HG   ARG  16          3HG       ARG  16 -11.327   2.894 -11.963
  185   1HD   ARG  16          2HD       ARG  16 -12.891   3.038  -9.337
  186   2HD   ARG  16          3HD       ARG  16 -13.483   2.451 -10.909
  187    HE   ARG  16           HE       ARG  16 -11.141   0.982  -9.904
  188   1HH1  ARG  16          2HH2      ARG  16 -14.569   1.423  -9.290
  189   2HH1  ARG  16          1HH2      ARG  16 -14.928  -0.243  -8.981
  190   1HH2  ARG  16          2HH1      ARG  16 -11.593  -1.309  -9.686
  191   2HH2  ARG  16          1HH1      ARG  16 -13.169  -1.842  -9.185
  192    QB   ARG  16           QB       ARG  16 -10.095   2.968  -9.744
  193    QG   ARG  16           QG       ARG  16 -11.647   3.612 -11.557
  194    QD   ARG  16           QD       ARG  16 -13.187   2.745 -10.123
  195    QH1  ARG  16           QH2      ARG  16 -14.748   0.590  -9.136
  196    QH2  ARG  16           QH1      ARG  16 -12.381  -1.575  -9.436
  197    H    LYS  17           HN       LYS  17 -10.579   5.547  -8.349
  198    HA   LYS  17           HA       LYS  17  -8.099   6.453  -6.975
  199   1HB   LYS  17          2HB       LYS  17  -9.207   8.083  -8.532
  200   2HB   LYS  17          3HB       LYS  17 -10.652   8.041  -7.539
  201   1HG   LYS  17          2HG       LYS  17  -7.897   8.898  -6.537
  202   2HG   LYS  17          3HG       LYS  17  -9.036   9.989  -7.320
  203   1HD   LYS  17          2HD       LYS  17 -10.769   9.417  -5.602
  204   2HD   LYS  17          3HD       LYS  17  -9.539   8.529  -4.692
  205   1HE   LYS  17          2HE       LYS  17  -9.269  11.487  -5.424
  206   2HE   LYS  17          3HE       LYS  17 -10.017  10.894  -3.931
  207   1HZ   LYS  17          1HZ       LYS  17  -7.863   9.653  -3.578
  208   2HZ   LYS  17          2HZ       LYS  17  -7.197  10.476  -4.728
  209   3HZ   LYS  17          3HZ       LYS  17  -7.759  11.308  -3.416
  210    QB   LYS  17           QB       LYS  17  -9.930   8.062  -8.036
  211    QG   LYS  17           QG       LYS  17  -8.467   9.443  -6.929
  212    QD   LYS  17           QD       LYS  17 -10.154   8.973  -5.147
  213    QE   LYS  17           QE       LYS  17  -9.643  11.191  -4.677
  214    QZ   LYS  17           QZ       LYS  17  -7.606  10.479  -3.907
  215    H    ILE  18           HN       ILE  18  -8.547   4.456  -5.667
  216    HA   ILE  18           HA       ILE  18 -10.823   4.738  -3.751
  217    HB   ILE  18           HB       ILE  18  -9.147   2.344  -4.522
  218   1HG1  ILE  18          2HG1      ILE  18 -12.130   2.455  -4.911
  219   2HG1  ILE  18          3HG1      ILE  18 -11.144   3.357  -6.063
  220   1HG2  ILE  18          2HG2      ILE  18 -11.439   2.590  -2.542
  221   2HG2  ILE  18          3HG2      ILE  18 -10.790   1.054  -3.151
  222   3HG2  ILE  18          1HG2      ILE  18  -9.762   2.118  -2.191
  223   1HD1  ILE  18          3HD1      ILE  18 -10.723   0.410  -5.429
  224   2HD1  ILE  18          1HD1      ILE  18 -11.514   1.076  -6.878
  225   3HD1  ILE  18          2HD1      ILE  18  -9.803   1.415  -6.562
  226    QG1  ILE  18           QG1      ILE  18 -11.637   2.906  -5.487
  227    QG2  ILE  18           QG2      ILE  18 -10.664   1.921  -2.628
  228    QD1  ILE  18           QD1      ILE  18 -10.680   0.967  -6.290
  229    HA   PRO  19           HA       PRO  19  -7.232   6.142  -1.349
  230   1HB   PRO  19          2HB       PRO  19  -8.478   6.639   1.080
  231   2HB   PRO  19          3HB       PRO  19  -8.481   7.743  -0.324
  232   1HG   PRO  19          2HG       PRO  19 -10.617   5.770   0.493
  233   2HG   PRO  19          3HG       PRO  19 -10.830   7.466  -0.029
  234   1HD   PRO  19          2HD       PRO  19 -11.211   5.377  -1.703
  235   2HD   PRO  19          3HD       PRO  19 -10.463   6.887  -2.311
  236    QB   PRO  19           QB       PRO  19  -8.480   7.191   0.378
  237    QG   PRO  19           QG       PRO  19 -10.724   6.618   0.232
  238    QD   PRO  19           QD       PRO  19 -10.837   6.132  -2.007
  239    H    SER  20           HN       SER  20  -5.712   4.789  -0.470
  240    HA   SER  20           HA       SER  20  -6.486   2.837   1.590
  241   1HB   SER  20          2HB       SER  20  -4.667   1.927  -0.677
  242   2HB   SER  20          3HB       SER  20  -5.371   0.969   0.625
  243    HG   SER  20           HG       SER  20  -6.875   2.239  -1.396
  244    QB   SER  20           QB       SER  20  -5.019   1.448  -0.026
  245    H    PHE  21           HN       PHE  21  -4.252   1.790   2.313
  246    HA   PHE  21           HA       PHE  21  -2.078   3.837   2.347
  247   1HB   PHE  21          2HB       PHE  21  -2.999   1.973   4.571
  248   2HB   PHE  21          3HB       PHE  21  -1.548   2.961   4.622
  249    HD1  PHE  21          2HD       PHE  21  -5.272   3.046   4.588
  250    HD2  PHE  21          1HD       PHE  21  -1.667   5.355   5.055
  251    HE1  PHE  21          2HE       PHE  21  -6.588   4.902   5.557
  252    HE2  PHE  21          1HE       PHE  21  -2.978   7.191   6.092
  253    HZ   PHE  21           HZ       PHE  21  -5.443   6.982   6.311
  254    QB   PHE  21           QB       PHE  21  -2.273   2.467   4.597
  255    QR   PHE  21           QR       PHE  21  -4.126   5.124   5.323
  256    OH   TYR  22           OH       TYR  22   4.482   5.223  -1.602
  257    H    TYR  22           HN       TYR  22   0.047   2.983   2.111
  258    HA   TYR  22           HA       TYR  22   0.355   0.051   1.892
  259   1HB   TYR  22          2HB       TYR  22   1.508   0.159  -0.107
  260   2HB   TYR  22          3HB       TYR  22   0.091   1.104  -0.467
  261    HD1  TYR  22           HD2      TYR  22   0.545   3.793   0.113
  262    HD2  TYR  22           HD1      TYR  22   3.528   0.840  -0.898
  263    HE1  TYR  22           HE2      TYR  22   2.092   5.589  -0.575
  264    HE2  TYR  22           HE1      TYR  22   5.032   2.626  -1.662
  265    HH   TYR  22           HH       TYR  22   5.239   4.877  -2.075
  266    QB   TYR  22           QB       TYR  22   0.799   0.631  -0.287
  267    QR   TYR  22           QR       TYR  22   2.799   3.212  -0.756
  268    OH   TYR  23           OH       TYR  23   8.787  -0.050   7.706
  269    H    TYR  23           HN       TYR  23   2.733  -0.488   2.052
  270    HA   TYR  23           HA       TYR  23   4.113   1.440   3.846
  271   1HB   TYR  23          2HB       TYR  23   3.817  -0.999   4.436
  272   2HB   TYR  23          3HB       TYR  23   4.986  -1.362   3.179
  273    HD1  TYR  23           HD1      TYR  23   7.355  -0.590   3.421
  274    HD2  TYR  23           HD2      TYR  23   4.455  -0.102   6.530
  275    HE1  TYR  23           HE1      TYR  23   9.140  -0.600   5.137
  276    HE2  TYR  23           HE2      TYR  23   6.244   0.395   8.153
  277    HH   TYR  23           HH       TYR  23   8.881   0.828   8.099
  278    QB   TYR  23           QB       TYR  23   4.401  -1.180   3.807
  279    QR   TYR  23           QR       TYR  23   6.798  -0.224   5.810
  280    H    LYS  24           HN       LYS  24   5.320   2.997   2.769
  281    HA   LYS  24           HA       LYS  24   6.576   2.233   0.203
  282   1HB   LYS  24          2HB       LYS  24   5.616   4.515   0.702
  283   2HB   LYS  24          3HB       LYS  24   6.993   4.807   1.766
  284   1HG   LYS  24          2HG       LYS  24   8.535   4.356  -0.155
  285   2HG   LYS  24          3HG       LYS  24   7.153   3.975  -1.176
  286   1HD   LYS  24          2HD       LYS  24   7.392   6.140  -1.853
  287   2HD   LYS  24          3HD       LYS  24   6.360   6.427  -0.458
  288   1HE   LYS  24          2HE       LYS  24   8.826   6.496   0.733
  289   2HE   LYS  24          3HE       LYS  24   9.274   7.016  -0.890
  290   1HZ   LYS  24          2HZ       LYS  24   7.537   8.748  -0.662
  291   2HZ   LYS  24          3HZ       LYS  24   7.310   8.290   0.902
  292   3HZ   LYS  24          1HZ       LYS  24   8.757   8.900   0.429
  293    QB   LYS  24           QB       LYS  24   6.305   4.661   1.234
  294    QG   LYS  24           QG       LYS  24   7.844   4.166  -0.666
  295    QD   LYS  24           QD       LYS  24   6.876   6.284  -1.155
  296    QE   LYS  24           QE       LYS  24   9.050   6.756  -0.078
  297    QZ   LYS  24           QZ       LYS  24   7.868   8.646   0.223
  298    CH2  TRP  25           CH2      TRP  25  12.190  -4.571   4.847
  299    H    TRP  25           HN       TRP  25   7.827   0.441   0.972
  300    HA   TRP  25           HA       TRP  25   9.688   0.448   3.036
  301   1HB   TRP  25          2HB       TRP  25   9.088  -1.470   1.704
  302   2HB   TRP  25          3HB       TRP  25   9.993  -0.853   0.318
  303    HD1  TRP  25           HD1      TRP  25  12.688  -0.815   0.579
  304    HE1  TRP  25           HE1      TRP  25  14.303  -2.277   1.885
  305    HE3  TRP  25           HE3      TRP  25   9.343  -3.138   3.635
  306    HZ2  TRP  25           HZ2      TRP  25  14.168  -4.222   4.042
  307    HZ3  TRP  25           HZ3      TRP  25  10.100  -4.744   5.366
  308    HH2  TRP  25           HH2      TRP  25  12.516  -5.299   5.576
  309    QB   TRP  25           QB       TRP  25   9.541  -1.162   1.011
  310    H    LYS  26           HN       LYS  26   9.932   2.145  -0.016
  311    HA   LYS  26           HA       LYS  26  12.716   2.720   0.023
  312   1HB   LYS  26          2HB       LYS  26  11.057   2.948  -1.878
  313   2HB   LYS  26          3HB       LYS  26  10.509   4.460  -1.140
  314   1HG   LYS  26          2HG       LYS  26  12.781   5.409  -1.389
  315   2HG   LYS  26          3HG       LYS  26  13.355   3.866  -2.053
  316   1HD   LYS  26          2HD       LYS  26  11.736   4.051  -3.924
  317   2HD   LYS  26          3HD       LYS  26  11.150   5.597  -3.274
  318   1HE   LYS  26          2HE       LYS  26  13.424   6.581  -3.574
  319   2HE   LYS  26          3HE       LYS  26  14.013   5.035  -4.204
  320   1HZ   LYS  26          2HZ       LYS  26  12.479   5.266  -6.042
  321   2HZ   LYS  26          3HZ       LYS  26  11.938   6.710  -5.463
  322   3HZ   LYS  26          1HZ       LYS  26  13.494   6.553  -5.961
  323    QB   LYS  26           QB       LYS  26  10.783   3.704  -1.509
  324    QG   LYS  26           QG       LYS  26  13.068   4.637  -1.721
  325    QD   LYS  26           QD       LYS  26  11.443   4.824  -3.599
  326    QE   LYS  26           QE       LYS  26  13.719   5.808  -3.889
  327    QZ   LYS  26           QZ       LYS  26  12.637   6.177  -5.822
  328    H    ALA  27           HN       ALA  27  10.011   4.080   1.841
  329    HA   ALA  27           HA       ALA  27  11.813   6.057   3.189
  330   1HB   ALA  27          1HB       ALA  27   8.784   5.765   3.126
  331   2HB   ALA  27          2HB       ALA  27   9.648   6.786   4.284
  332   3HB   ALA  27          3HB       ALA  27   9.779   7.147   2.563
  333    QB   ALA  27           QB       ALA  27   9.404   6.566   3.324
  334    H    LYS  28           HN       LYS  28  10.331   2.933   3.444
  335    HA   LYS  28           HA       LYS  28  10.300   1.404   5.079
  336   1HB   LYS  28          2HB       LYS  28  12.600   3.054   5.821
  337   2HB   LYS  28          3HB       LYS  28  11.822   2.453   7.265
  338   1HG   LYS  28          2HG       LYS  28  12.440   0.623   4.915
  339   2HG   LYS  28          3HG       LYS  28  13.703   1.096   6.073
  340   1HD   LYS  28          2HD       LYS  28  12.504   0.198   7.965
  341   2HD   LYS  28          3HD       LYS  28  11.032   0.051   7.025
  342   1HE   LYS  28          2HE       LYS  28  11.890  -2.148   7.380
  343   2HE   LYS  28          3HE       LYS  28  11.969  -1.739   5.663
  344   1HZ   LYS  28          2HZ       LYS  28  14.233  -1.625   7.554
  345   2HZ   LYS  28          3HZ       LYS  28  13.972  -2.813   6.448
  346   3HZ   LYS  28          1HZ       LYS  28  14.312  -1.285   5.944
  347    QB   LYS  28           QB       LYS  28  12.211   2.754   6.543
  348    QG   LYS  28           QG       LYS  28  13.072   0.860   5.494
  349    QD   LYS  28           QD       LYS  28  11.768   0.125   7.495
  350    QE   LYS  28           QE       LYS  28  11.929  -1.944   6.522
  351    QZ   LYS  28           QZ       LYS  28  14.172  -1.907   6.649
  352    H    GLN  29           HN       GLN  29   8.184   3.418   4.775
  353    HA   GLN  29           HA       GLN  29   6.970   2.875   7.341
  354   1HB   GLN  29          2HB       GLN  29   8.240   5.360   7.127
  355   2HB   GLN  29          3HB       GLN  29   6.593   5.737   6.636
  356   1HG   GLN  29          2HG       GLN  29   6.292   4.104   8.947
  357   2HG   GLN  29          3HG       GLN  29   7.722   5.074   9.278
  358   1HE2  GLN  29          2HE2      GLN  29   5.728   8.194   9.007
  359   2HE2  GLN  29          1HE2      GLN  29   7.197   7.543   8.311
  360    QB   GLN  29           QB       GLN  29   7.417   5.549   6.882
  361    QG   GLN  29           QG       GLN  29   7.007   4.589   9.113
  362    QE2  GLN  29           QE2      GLN  29   6.462   7.868   8.659
  363    H    CYS  30           HN       CYS  30   4.702   3.740   7.436
  364    HA   CYS  30           HA       CYS  30   3.208   2.802   5.099
  365   1HB   CYS  30          2HB       CYS  30   2.402   3.790   7.832
  366   2HB   CYS  30          3HB       CYS  30   1.291   3.118   6.626
  367    QB   CYS  30           QB       CYS  30   1.847   3.454   7.229
  368    H    LEU  31           HN       LEU  31   2.034   4.124   3.690
  369    HA   LEU  31           HA       LEU  31   1.512   6.905   4.505
  370   1HB   LEU  31          2HB       LEU  31   2.808   6.100   1.860
  371   2HB   LEU  31          3HB       LEU  31   2.405   7.739   2.350
  372    HG   LEU  31           HG       LEU  31   4.566   5.956   3.594
  373   1HD1  LEU  31          3HD1      LEU  31   5.072   6.673   1.333
  374   2HD1  LEU  31          1HD1      LEU  31   4.795   8.371   1.765
  375   3HD1  LEU  31          2HD1      LEU  31   6.138   7.468   2.519
  376   1HD2  LEU  31          2HD2      LEU  31   3.418   7.951   5.021
  377   2HD2  LEU  31          3HD2      LEU  31   5.151   7.573   5.065
  378   3HD2  LEU  31          1HD2      LEU  31   4.547   8.910   4.059
  379    QB   LEU  31           QB       LEU  31   2.607   6.919   2.105
  380    QD1  LEU  31           QD1      LEU  31   5.335   7.504   1.872
  381    QD2  LEU  31           QD2      LEU  31   4.372   8.145   4.715
  382    QQD  LEU  31           QQD      LEU  31   4.854   7.824   3.294
  383    HA   PRO  32           HA       PRO  32  -2.321   6.014   2.408
  384   1HB   PRO  32          2HB       PRO  32  -3.272   8.505   1.899
  385   2HB   PRO  32          3HB       PRO  32  -3.159   7.853   3.553
  386   1HG   PRO  32          2HG       PRO  32  -1.161   9.642   2.136
  387   2HG   PRO  32          3HG       PRO  32  -1.876   9.884   3.758
  388   1HD   PRO  32          2HD       PRO  32   0.561   8.743   3.433
  389   2HD   PRO  32          3HD       PRO  32  -0.563   8.132   4.681
  390    QB   PRO  32           QB       PRO  32  -3.215   8.179   2.726
  391    QG   PRO  32           QG       PRO  32  -1.518   9.763   2.947
  392    QD   PRO  32           QD       PRO  32  -0.001   8.438   4.057
  393    H    PHE  33           HN       PHE  33  -3.257   6.116   0.230
  394    HA   PHE  33           HA       PHE  33  -2.152   7.759  -1.819
  395   1HB   PHE  33          2HB       PHE  33  -1.077   6.213  -3.199
  396   2HB   PHE  33          3HB       PHE  33  -0.369   5.908  -1.631
  397    HD1  PHE  33          2HD       PHE  33  -1.873   4.040  -0.190
  398    HD2  PHE  33          1HD       PHE  33  -1.606   4.320  -4.485
  399    HE1  PHE  33          2HE       PHE  33  -2.210   1.594  -0.393
  400    HE2  PHE  33          1HE       PHE  33  -1.701   1.845  -4.632
  401    HZ   PHE  33           HZ       PHE  33  -1.906   0.490  -2.585
  402    QB   PHE  33           QB       PHE  33  -0.723   6.060  -2.415
  403    QR   PHE  33           QR       PHE  33  -1.847   2.950  -2.425
  404    H    ASP  34           HN       ASP  34  -3.105   6.734  -4.072
  405    HA   ASP  34           HA       ASP  34  -5.934   5.961  -3.540
  406   1HB   ASP  34          2HB       ASP  34  -4.532   7.503  -5.767
  407   2HB   ASP  34          3HB       ASP  34  -6.095   6.727  -5.994
  408    QB   ASP  34           QB       ASP  34  -5.313   7.115  -5.880
  409    OH   TYR  35           OH       TYR  35  -5.045  -3.904  -6.065
  410    H    TYR  35           HN       TYR  35  -6.344   3.906  -3.983
  411    HA   TYR  35           HA       TYR  35  -4.514   2.356  -5.716
  412   1HB   TYR  35          2HB       TYR  35  -4.970   1.451  -3.464
  413   2HB   TYR  35          3HB       TYR  35  -6.707   1.485  -3.787
  414    HD1  TYR  35           HD1      TYR  35  -3.628   0.321  -5.631
  415    HD2  TYR  35           HD2      TYR  35  -7.544  -0.730  -4.149
  416    HE1  TYR  35           HE1      TYR  35  -3.540  -1.759  -6.867
  417    HE2  TYR  35           HE2      TYR  35  -7.110  -3.086  -4.994
  418    HH   TYR  35           HH       TYR  35  -5.285  -4.293  -6.917
  419    QB   TYR  35           QB       TYR  35  -5.839   1.468  -3.625
  420    QR   TYR  35           QR       TYR  35  -5.456  -1.313  -5.410
  421    H    SER  36           HN       SER  36  -5.359   1.152  -7.470
  422    HA   SER  36           HA       SER  36  -7.557   2.524  -8.778
  423   1HB   SER  36          2HB       SER  36  -6.866   1.344 -10.652
  424   2HB   SER  36          3HB       SER  36  -5.416   1.925  -9.854
  425    HG   SER  36           HG       SER  36  -4.936  -0.073  -9.137
  426    QB   SER  36           QB       SER  36  -6.141   1.635 -10.253
  427    H    GLY  37           HN       GLY  37  -7.144  -0.603  -7.215
  428   1HA   GLY  37          1HA       GLY  37  -9.050  -1.918  -6.506
  429   2HA   GLY  37          2HA       GLY  37  -9.919  -1.387  -7.940
  430    QA   GLY  37           QA       GLY  37  -9.485  -1.653  -7.223
  431    H    CYS  38           HN       CYS  38  -7.245  -1.756  -9.515
  432    HA   CYS  38           HA       CYS  38  -7.977  -4.536 -10.288
  433   1HB   CYS  38          2HB       CYS  38  -6.388  -2.431 -11.749
  434   2HB   CYS  38          3HB       CYS  38  -6.944  -3.966 -12.427
  435    QB   CYS  38           QB       CYS  38  -6.666  -3.198 -12.088
  436    H    GLY  39           HN       GLY  39  -5.111  -4.441 -11.600
  437   1HA   GLY  39          1HA       GLY  39  -3.945  -6.486 -10.504
  438   2HA   GLY  39          2HA       GLY  39  -2.964  -5.118 -11.043
  439    QA   GLY  39           QA       GLY  39  -3.454  -5.802 -10.774
  440    H    GLY  40           HN       GLY  40  -2.717  -3.348  -9.346
  441   1HA   GLY  40          1HA       GLY  40  -1.628  -2.748  -7.391
  442   2HA   GLY  40          2HA       GLY  40  -2.852  -3.757  -6.587
  443    QA   GLY  40           QA       GLY  40  -2.240  -3.252  -6.989
  444    H    ASN  41           HN       ASN  41  -1.479  -4.424  -4.977
  445    HA   ASN  41           HA       ASN  41  -0.260  -6.957  -5.561
  446   1HB   ASN  41          2HB       ASN  41   1.819  -6.429  -4.477
  447   2HB   ASN  41          3HB       ASN  41   1.652  -5.442  -5.899
  448   1HD2  ASN  41          2HD2      ASN  41   2.675  -2.720  -3.856
  449   2HD2  ASN  41          1HD2      ASN  41   3.070  -3.870  -5.124
  450    QB   ASN  41           QB       ASN  41   1.736  -5.936  -5.188
  451    QD2  ASN  41           QD2      ASN  41   2.873  -3.295  -4.490
  452    H    ALA  42           HN       ALA  42   0.933  -7.160  -2.943
  453    HA   ALA  42           HA       ALA  42  -1.535  -7.355  -1.298
  454   1HB   ALA  42          2HB       ALA  42   1.258  -8.510  -0.961
  455   2HB   ALA  42          3HB       ALA  42  -0.108  -8.801   0.132
  456   3HB   ALA  42          1HB       ALA  42  -0.175  -9.365  -1.550
  457    QB   ALA  42           QB       ALA  42   0.325  -8.892  -0.793
  458    H    ASN  43           HN       ASN  43   0.966  -5.068  -1.644
  459    HA   ASN  43           HA       ASN  43   1.302  -4.476   1.215
  460   1HB   ASN  43          2HB       ASN  43   3.121  -4.289  -0.581
  461   2HB   ASN  43          3HB       ASN  43   2.269  -2.883  -1.204
  462   1HD2  ASN  43          2HD2      ASN  43   4.786  -1.382   0.981
  463   2HD2  ASN  43          1HD2      ASN  43   4.703  -2.172  -0.551
  464    QB   ASN  43           QB       ASN  43   2.695  -3.586  -0.892
  465    QD2  ASN  43           QD2      ASN  43   4.745  -1.777   0.215
  466    NH1  ARG  44           NH2      ARG  44  -6.186  -3.702  -1.888
  467    NH2  ARG  44           NH1      ARG  44  -4.856  -5.079  -3.207
  468    H    ARG  44           HN       ARG  44  -1.260  -4.286   1.188
  469    HA   ARG  44           HA       ARG  44  -1.926  -1.408   0.835
  470   1HB   ARG  44          2HB       ARG  44  -2.186  -2.484  -1.351
  471   2HB   ARG  44          3HB       ARG  44  -3.367  -3.604  -0.632
  472   1HG   ARG  44          2HG       ARG  44  -4.914  -1.716  -0.207
  473   2HG   ARG  44          3HG       ARG  44  -3.642  -0.551  -0.549
  474   1HD   ARG  44          2HD       ARG  44  -5.391  -1.047  -2.400
  475   2HD   ARG  44          3HD       ARG  44  -3.694  -0.867  -2.819
  476    HE   ARG  44           HE       ARG  44  -3.579  -2.958  -3.611
  477   1HH1  ARG  44          2HH2      ARG  44  -6.336  -2.786  -1.494
  478   2HH1  ARG  44          1HH2      ARG  44  -6.799  -4.462  -1.638
  479   1HH2  ARG  44          2HH1      ARG  44  -3.982  -5.243  -3.699
  480   2HH2  ARG  44          1HH1      ARG  44  -5.479  -5.861  -3.082
  481    QB   ARG  44           QB       ARG  44  -2.777  -3.044  -0.992
  482    QG   ARG  44           QG       ARG  44  -4.278  -1.134  -0.378
  483    QD   ARG  44           QD       ARG  44  -4.542  -0.957  -2.609
  484    QH1  ARG  44           QH2      ARG  44  -6.568  -3.624  -1.566
  485    QH2  ARG  44           QH1      ARG  44  -4.730  -5.552  -3.390
  486    H    PHE  45           HN       PHE  45  -3.265  -0.725   2.325
  487    HA   PHE  45           HA       PHE  45  -4.862  -2.567   4.089
  488   1HB   PHE  45          2HB       PHE  45  -2.998  -0.331   4.914
  489   2HB   PHE  45          3HB       PHE  45  -3.908  -1.425   5.938
  490    HD1  PHE  45          2HD       PHE  45  -3.287  -3.902   5.952
  491    HD2  PHE  45          1HD       PHE  45  -0.947  -1.035   3.763
  492    HE1  PHE  45          2HE       PHE  45  -1.383  -5.488   5.920
  493    HE2  PHE  45          1HE       PHE  45   0.913  -2.660   3.622
  494    HZ   PHE  45           HZ       PHE  45   0.702  -4.871   4.707
  495    QB   PHE  45           QB       PHE  45  -3.453  -0.878   5.426
  496    QR   PHE  45           QR       PHE  45  -1.176  -3.272   4.814
  497    H    LYS  46           HN       LYS  46  -6.589  -1.557   5.121
  498    HA   LYS  46           HA       LYS  46  -7.639   0.834   3.679
  499   1HB   LYS  46          2HB       LYS  46  -8.885  -1.065   5.700
  500   2HB   LYS  46          3HB       LYS  46  -9.678   0.376   5.027
  501   1HG   LYS  46          2HG       LYS  46  -9.439  -0.508   2.745
  502   2HG   LYS  46          3HG       LYS  46  -8.593  -1.938   3.380
  503   1HD   LYS  46          2HD       LYS  46 -10.640  -2.553   4.684
  504   2HD   LYS  46          3HD       LYS  46 -11.455  -1.110   4.074
  505   1HE   LYS  46          2HE       LYS  46 -12.191  -3.073   2.814
  506   2HE   LYS  46          3HE       LYS  46 -11.329  -1.947   1.757
  507   1HZ   LYS  46          3HZ       LYS  46 -10.178  -4.383   2.964
  508   2HZ   LYS  46          1HZ       LYS  46 -10.662  -4.223   1.400
  509   3HZ   LYS  46          2HZ       LYS  46  -9.390  -3.347   1.959
  510    QB   LYS  46           QB       LYS  46  -9.281  -0.345   5.364
  511    QG   LYS  46           QG       LYS  46  -9.016  -1.223   3.062
  512    QD   LYS  46           QD       LYS  46 -11.048  -1.832   4.379
  513    QE   LYS  46           QE       LYS  46 -11.760  -2.510   2.286
  514    QZ   LYS  46           QZ       LYS  46 -10.077  -3.984   2.108
  515    H    THR  47           HN       THR  47  -6.063  -0.207   6.653
  516    HA   THR  47           HA       THR  47  -6.348   2.588   7.710
  517    HB   THR  47           HB       THR  47  -6.216   1.685   9.904
  518    HG1  THR  47          1HG       THR  47  -5.899  -0.809   8.599
  519   1HG2  THR  47          2HG2      THR  47  -8.190  -0.038   8.321
  520   2HG2  THR  47          3HG2      THR  47  -8.193   0.225  10.073
  521   3HG2  THR  47          1HG2      THR  47  -8.502   1.591   8.978
  522    QG2  THR  47           QG2      THR  47  -8.295   0.593   9.124
  523    H    ILE  48           HN       ILE  48  -4.612   3.506   8.682
  524    HA   ILE  48           HA       ILE  48  -1.951   2.718   7.876
  525    HB   ILE  48           HB       ILE  48  -2.815   5.104   8.519
  526   1HG1  ILE  48          2HG1      ILE  48  -0.548   5.651   9.688
  527   2HG1  ILE  48          3HG1      ILE  48  -0.149   3.951   9.413
  528   1HG2  ILE  48          2HG2      ILE  48  -3.734   4.380  10.762
  529   2HG2  ILE  48          3HG2      ILE  48  -2.051   4.189  11.321
  530   3HG2  ILE  48          1HG2      ILE  48  -2.641   5.777  10.814
  531   1HD1  ILE  48          2HD1      ILE  48  -0.597   4.324   6.960
  532   2HD1  ILE  48          3HD1      ILE  48  -0.935   6.031   7.325
  533   3HD1  ILE  48          1HD1      ILE  48   0.684   5.383   7.595
  534    QG1  ILE  48           QG1      ILE  48  -0.349   4.801   9.551
  535    QG2  ILE  48           QG2      ILE  48  -2.809   4.782  10.965
  536    QD1  ILE  48           QD1      ILE  48  -0.283   5.246   7.293
  537    H    GLU  49           HN       GLU  49  -4.003   2.009  10.737
  538    HA   GLU  49           HA       GLU  49  -1.740   1.076  12.228
  539   1HB   GLU  49          2HB       GLU  49  -3.352   0.075  13.759
  540   2HB   GLU  49          3HB       GLU  49  -3.671   1.787  13.478
  541   1HG   GLU  49          2HG       GLU  49  -5.591   1.289  12.099
  542   2HG   GLU  49          3HG       GLU  49  -5.200  -0.442  12.056
  543    QB   GLU  49           QB       GLU  49  -3.511   0.931  13.619
  544    QG   GLU  49           QG       GLU  49  -5.396   0.423  12.077
  545    H    GLU  50           HN       GLU  50  -4.032  -0.611  10.007
  546    HA   GLU  50           HA       GLU  50  -3.010  -3.239  10.568
  547   1HB   GLU  50          2HB       GLU  50  -3.955  -1.953   7.998
  548   2HB   GLU  50          3HB       GLU  50  -3.586  -3.680   8.135
  549   1HG   GLU  50          2HG       GLU  50  -5.479  -4.179   9.364
  550   2HG   GLU  50          3HG       GLU  50  -5.750  -2.526   9.886
  551    QB   GLU  50           QB       GLU  50  -3.771  -2.816   8.067
  552    QG   GLU  50           QG       GLU  50  -5.615  -3.353   9.625
  553    H    CYS  51           HN       CYS  51  -1.973  -0.728   8.214
  554    HA   CYS  51           HA       CYS  51   0.197  -2.182   7.119
  555   1HB   CYS  51          2HB       CYS  51  -0.645  -0.162   6.049
  556   2HB   CYS  51          3HB       CYS  51  -0.178   0.831   7.419
  557    QB   CYS  51           QB       CYS  51  -0.411   0.335   6.734
  558    NH1  ARG  52           NH2      ARG  52   2.520   5.585  13.914
  559    NH2  ARG  52           NH1      ARG  52   3.189   6.113  11.763
  560    H    ARG  52           HN       ARG  52   0.240   0.287   9.744
  561    HA   ARG  52           HA       ARG  52   2.967   0.081  10.324
  562   1HB   ARG  52          2HB       ARG  52   1.350   1.845  11.039
  563   2HB   ARG  52          3HB       ARG  52   0.711   0.737  12.263
  564   1HG   ARG  52          2HG       ARG  52   2.817   0.691  13.426
  565   2HG   ARG  52          3HG       ARG  52   3.668   1.502  12.099
  566   1HD   ARG  52          2HD       ARG  52   1.404   2.811  13.656
  567   2HD   ARG  52          3HD       ARG  52   3.123   2.922  14.107
  568    HE   ARG  52           HE       ARG  52   2.634   3.671  11.332
  569   1HH1  ARG  52          2HH2      ARG  52   2.187   4.899  14.575
  570   2HH1  ARG  52          1HH2      ARG  52   2.640   6.538  14.221
  571   1HH2  ARG  52          2HH1      ARG  52   3.573   5.844  10.854
  572   2HH2  ARG  52          1HH1      ARG  52   3.258   7.089  12.005
  573    QB   ARG  52           QB       ARG  52   1.030   1.291  11.651
  574    QG   ARG  52           QG       ARG  52   3.242   1.096  12.763
  575    QD   ARG  52           QD       ARG  52   2.263   2.867  13.881
  576    QH1  ARG  52           QH2      ARG  52   2.414   5.718  14.398
  577    QH2  ARG  52           QH1      ARG  52   3.415   6.467  11.430
  578    NH1  ARG  53           NH2      ARG  53   0.294  -2.678  17.939
  579    NH2  ARG  53           NH1      ARG  53  -1.999  -2.388  17.886
  580    H    ARG  53           HN       ARG  53   0.182  -1.802  11.664
  581    HA   ARG  53           HA       ARG  53   1.828  -3.239  13.496
  582   1HB   ARG  53          2HB       ARG  53  -0.745  -2.921  13.529
  583   2HB   ARG  53          3HB       ARG  53  -0.811  -4.171  12.277
  584   1HG   ARG  53          2HG       ARG  53  -1.188  -5.343  14.302
  585   2HG   ARG  53          3HG       ARG  53   0.513  -5.658  13.956
  586   1HD   ARG  53          2HD       ARG  53   0.473  -5.063  16.252
  587   2HD   ARG  53          3HD       ARG  53   1.032  -3.608  15.433
  588    HE   ARG  53           HE       ARG  53  -1.810  -3.537  15.640
  589   1HH1  ARG  53          2HH2      ARG  53   1.172  -2.870  17.437
  590   2HH1  ARG  53          1HH2      ARG  53   0.382  -2.213  18.825
  591   1HH2  ARG  53          2HH1      ARG  53  -2.891  -2.490  17.423
  592   2HH2  ARG  53          1HH1      ARG  53  -1.969  -1.917  18.777
  593    QB   ARG  53           QB       ARG  53  -0.778  -3.546  12.903
  594    QG   ARG  53           QG       ARG  53  -0.338  -5.501  14.129
  595    QD   ARG  53           QD       ARG  53   0.752  -4.335  15.842
  596    QH1  ARG  53           QH2      ARG  53   0.777  -2.542  18.131
  597    QH2  ARG  53           QH1      ARG  53  -2.430  -2.204  18.100
  598    H    THR  54           HN       THR  54   0.901  -3.833  10.121
  599    HA   THR  54           HA       THR  54   1.795  -6.555  10.012
  600    HB   THR  54           HB       THR  54   1.616  -4.400   7.852
  601    HG1  THR  54          1HG       THR  54  -0.349  -4.993   8.791
  602   1HG2  THR  54          3HG2      THR  54   2.087  -7.404   7.653
  603   2HG2  THR  54          1HG2      THR  54   1.543  -6.353   6.329
  604   3HG2  THR  54          2HG2      THR  54   3.144  -6.103   7.039
  605    QG2  THR  54           QG2      THR  54   2.258  -6.620   7.007
  606    H    CYS  55           HN       CYS  55   3.416  -3.413   9.364
  607    HA   CYS  55           HA       CYS  55   5.884  -4.946   8.806
  608   1HB   CYS  55          2HB       CYS  55   4.837  -3.274   7.221
  609   2HB   CYS  55          3HB       CYS  55   5.722  -2.080   8.176
  610    QB   CYS  55           QB       CYS  55   5.280  -2.677   7.698
  611    H    VAL  56           HN       VAL  56   4.933  -2.229  10.821
  612    HA   VAL  56           HA       VAL  56   7.352  -2.305  12.505
  613    HB   VAL  56           HB       VAL  56   4.930  -0.439  12.609
  614   1HG1  VAL  56          3HG1      VAL  56   7.691  -0.263  13.815
  615   2HG1  VAL  56          1HG1      VAL  56   6.764   1.198  13.435
  616   3HG1  VAL  56          2HG1      VAL  56   6.101   0.059  14.569
  617   1HG2  VAL  56          3HG2      VAL  56   7.479  -0.038  11.015
  618   2HG2  VAL  56          1HG2      VAL  56   5.844  -0.254  10.343
  619   3HG2  VAL  56          2HG2      VAL  56   6.213   1.184  11.270
  620    QG1  VAL  56           QG1      VAL  56   6.852   0.331  13.939
  621    QG2  VAL  56           QG2      VAL  56   6.512   0.297  10.876
  622    QQG  VAL  56           QQG      VAL  56   6.682   0.314  12.408
  623    H    GLY  57           HN       GLY  57   6.078  -1.707  14.972
  624   1HA   GLY  57          1HA       GLY  57   4.589  -4.174  15.643
  625   2HA   GLY  57          2HA       GLY  57   5.358  -3.042  16.745
  626    QA   GLY  57           QA       GLY  57   4.973  -3.608  16.194
   
  Start of MODEL           9
 Raw file had  626 H/Q atoms
  Start of MODEL    9
    1    H    ALA   1           HN       ALA   1   9.835  -7.936   8.781
    2    HA   ALA   1           HA       ALA   1   7.160  -6.698   8.753
    3   1HB   ALA   1          3HB       ALA   1   8.864  -4.948   8.282
    4   2HB   ALA   1          1HB       ALA   1   9.518  -5.948   6.964
    5   3HB   ALA   1          2HB       ALA   1   7.874  -5.290   6.852
    6    QB   ALA   1           QB       ALA   1   8.752  -5.395   7.366
    7    H    ALA   2           HN       ALA   2   6.006  -7.102   6.642
    8    HA   ALA   2           HA       ALA   2   6.279  -9.897   5.886
    9   1HB   ALA   2          2HB       ALA   2   4.099  -8.675   6.222
   10   2HB   ALA   2          3HB       ALA   2   4.446  -7.759   4.737
   11   3HB   ALA   2          1HB       ALA   2   4.238  -9.524   4.671
   12    QB   ALA   2           QB       ALA   2   4.261  -8.653   5.210
   13    H    LYS   3           HN       LYS   3   6.200 -10.550   3.445
   14    HA   LYS   3           HA       LYS   3   8.699  -9.495   2.441
   15   1HB   LYS   3          2HB       LYS   3   6.935 -11.731   1.646
   16   2HB   LYS   3          3HB       LYS   3   7.621 -10.888   0.273
   17   1HG   LYS   3          2HG       LYS   3   9.091 -12.652   0.785
   18   2HG   LYS   3          3HG       LYS   3   9.946 -11.149   1.206
   19   1HD   LYS   3          2HD       LYS   3   9.699 -11.573   3.567
   20   2HD   LYS   3          3HD       LYS   3   8.191 -12.416   3.328
   21   1HE   LYS   3          2HE       LYS   3   9.549 -14.066   4.128
   22   2HE   LYS   3          3HE       LYS   3   9.402 -14.410   2.407
   23   1HZ   LYS   3          2HZ       LYS   3  11.691 -13.118   3.754
   24   2HZ   LYS   3          3HZ       LYS   3  11.636 -14.661   3.208
   25   3HZ   LYS   3          1HZ       LYS   3  11.599 -13.420   2.131
   26    QB   LYS   3           QB       LYS   3   7.278 -11.310   0.959
   27    QG   LYS   3           QG       LYS   3   9.519 -11.901   0.996
   28    QD   LYS   3           QD       LYS   3   8.945 -11.994   3.447
   29    QE   LYS   3           QE       LYS   3   9.475 -14.238   3.268
   30    QZ   LYS   3           QZ       LYS   3  11.642 -13.733   3.031
   31    OH   TYR   4           OH       TYR   4   0.832  -8.018   5.020
   32    H    TYR   4           HN       TYR   4   5.346  -9.394   1.447
   33    HA   TYR   4           HA       TYR   4   5.630  -7.757  -0.805
   34   1HB   TYR   4          2HB       TYR   4   3.246  -7.305  -0.534
   35   2HB   TYR   4          3HB       TYR   4   3.632  -9.017  -0.355
   36    HD1  TYR   4           HD2      TYR   4   2.943  -5.893   1.619
   37    HD2  TYR   4           HD1      TYR   4   2.777 -10.203   1.532
   38    HE1  TYR   4           HE2      TYR   4   1.726  -5.888   3.754
   39    HE2  TYR   4           HE1      TYR   4   1.445 -10.187   3.614
   40    HH   TYR   4           HH       TYR   4   0.448  -8.867   5.253
   41    QB   TYR   4           QB       TYR   4   3.439  -8.161  -0.445
   42    QR   TYR   4           QR       TYR   4   2.223  -8.043   2.630
   43    H    CYS   5           HN       CYS   5   5.985  -6.978   2.554
   44    HA   CYS   5           HA       CYS   5   5.321  -4.229   2.433
   45   1HB   CYS   5          2HB       CYS   5   5.910  -5.842   4.440
   46   2HB   CYS   5          3HB       CYS   5   7.535  -5.165   4.258
   47    QB   CYS   5           QB       CYS   5   6.722  -5.504   4.349
   48    H    LYS   6           HN       LYS   6   8.069  -6.016   1.165
   49    HA   LYS   6           HA       LYS   6   9.760  -3.704   0.739
   50   1HB   LYS   6          2HB       LYS   6   9.838  -6.563  -0.197
   51   2HB   LYS   6          3HB       LYS   6  10.670  -5.335  -1.125
   52   1HG   LYS   6          2HG       LYS   6  12.296  -6.142   0.337
   53   2HG   LYS   6          3HG       LYS   6  11.861  -4.537   0.867
   54   1HD   LYS   6          2HD       LYS   6  11.953  -5.692   2.904
   55   2HD   LYS   6          3HD       LYS   6  10.237  -5.690   2.551
   56   1HE   LYS   6          2HE       LYS   6  10.782  -7.892   3.280
   57   2HE   LYS   6          3HE       LYS   6  10.532  -8.016   1.533
   58   1HZ   LYS   6          3HZ       LYS   6  13.160  -7.787   2.867
   59   2HZ   LYS   6          1HZ       LYS   6  12.516  -9.180   2.285
   60   3HZ   LYS   6          2HZ       LYS   6  12.919  -7.973   1.251
   61    QB   LYS   6           QB       LYS   6  10.254  -5.949  -0.661
   62    QG   LYS   6           QG       LYS   6  12.079  -5.340   0.602
   63    QD   LYS   6           QD       LYS   6  11.095  -5.691   2.728
   64    QE   LYS   6           QE       LYS   6  10.657  -7.954   2.407
   65    QZ   LYS   6           QZ       LYS   6  12.865  -8.313   2.134
   66    H    LEU   7           HN       LEU   7   6.889  -4.966  -0.919
   67    HA   LEU   7           HA       LEU   7   7.660  -4.167  -3.528
   68   1HB   LEU   7          2HB       LEU   7   4.896  -4.594  -2.345
   69   2HB   LEU   7          3HB       LEU   7   5.269  -4.414  -4.050
   70    HG   LEU   7           HG       LEU   7   6.603  -6.635  -2.502
   71   1HD1  LEU   7          1HD1      LEU   7   3.910  -6.641  -2.470
   72   2HD1  LEU   7          2HD1      LEU   7   4.160  -7.216  -4.135
   73   3HD1  LEU   7          3HD1      LEU   7   4.839  -8.129  -2.818
   74   1HD2  LEU   7          1HD2      LEU   7   5.746  -6.229  -5.401
   75   2HD2  LEU   7          2HD2      LEU   7   7.417  -6.175  -4.776
   76   3HD2  LEU   7          3HD2      LEU   7   6.486  -7.703  -4.757
   77    QB   LEU   7           QB       LEU   7   5.083  -4.504  -3.198
   78    QD1  LEU   7           QD1      LEU   7   4.303  -7.329  -3.141
   79    QD2  LEU   7           QD2      LEU   7   6.550  -6.702  -4.978
   80    QQD  LEU   7           QQD      LEU   7   5.426  -7.016  -4.059
   81    HA   PRO   8           HA       PRO   8   7.088   0.174  -2.916
   82   1HB   PRO   8          2HB       PRO   8   7.419   1.132  -5.447
   83   2HB   PRO   8          3HB       PRO   8   8.687   0.173  -4.642
   84   1HG   PRO   8          2HG       PRO   8   6.543  -0.856  -6.533
   85   2HG   PRO   8          3HG       PRO   8   8.316  -1.040  -6.701
   86   1HD   PRO   8          2HD       PRO   8   6.774  -2.967  -5.522
   87   2HD   PRO   8          3HD       PRO   8   8.416  -2.571  -4.908
   88    QB   PRO   8           QB       PRO   8   8.053   0.653  -5.044
   89    QG   PRO   8           QG       PRO   8   7.430  -0.948  -6.617
   90    QD   PRO   8           QD       PRO   8   7.595  -2.769  -5.215
   91    H    LEU   9           HN       LEU   9   5.956   2.083  -4.361
   92    HA   LEU   9           HA       LEU   9   3.203   1.908  -3.754
   93   1HB   LEU   9          2HB       LEU   9   4.414   4.033  -3.759
   94   2HB   LEU   9          3HB       LEU   9   4.692   3.917  -5.494
   95    HG   LEU   9           HG       LEU   9   2.421   4.243  -6.030
   96   1HD1  LEU   9          2HD1      LEU   9   1.743   3.602  -3.126
   97   2HD1  LEU   9          3HD1      LEU   9   0.654   4.503  -4.167
   98   3HD1  LEU   9          1HD1      LEU   9   1.109   2.853  -4.586
   99   1HD2  LEU   9          1HD2      LEU   9   3.596   6.276  -5.294
  100   2HD2  LEU   9          2HD2      LEU   9   1.850   6.365  -5.003
  101   3HD2  LEU   9          3HD2      LEU   9   2.950   6.051  -3.653
  102    QB   LEU   9           QB       LEU   9   4.553   3.975  -4.627
  103    QD1  LEU   9           QD1      LEU   9   1.168   3.653  -3.960
  104    QD2  LEU   9           QD2      LEU   9   2.799   6.231  -4.650
  105    QQD  LEU   9           QQD      LEU   9   1.984   4.942  -4.305
  106    NH1  ARG  10           NH2      ARG  10   2.689  -2.373 -11.540
  107    NH2  ARG  10           NH1      ARG  10   1.266  -0.579 -11.874
  108    H    ARG  10           HN       ARG  10   2.166   0.341  -4.730
  109    HA   ARG  10           HA       ARG  10   2.105   0.131  -7.697
  110   1HB   ARG  10          2HB       ARG  10   2.789  -1.711  -6.215
  111   2HB   ARG  10          3HB       ARG  10   1.185  -1.688  -5.457
  112   1HG   ARG  10          2HG       ARG  10   1.318  -3.488  -7.048
  113   2HG   ARG  10          3HG       ARG  10   0.188  -2.273  -7.636
  114   1HD   ARG  10          2HD       ARG  10   3.065  -2.319  -8.598
  115   2HD   ARG  10          3HD       ARG  10   1.874  -3.495  -9.204
  116    HE   ARG  10           HE       ARG  10   0.739  -0.910  -9.423
  117   1HH1  ARG  10          2HH2      ARG  10   3.104  -3.049 -10.918
  118   2HH1  ARG  10          1HH2      ARG  10   2.948  -2.391 -12.516
  119   1HH2  ARG  10          2HH1      ARG  10   0.630   0.119 -11.522
  120   2HH2  ARG  10          1HH1      ARG  10   1.513  -0.545 -12.854
  121    QB   ARG  10           QB       ARG  10   1.987  -1.699  -5.836
  122    QG   ARG  10           QG       ARG  10   0.753  -2.880  -7.342
  123    QD   ARG  10           QD       ARG  10   2.469  -2.907  -8.901
  124    QH1  ARG  10           QH2      ARG  10   3.026  -2.720 -11.717
  125    QH2  ARG  10           QH1      ARG  10   1.071  -0.213 -12.188
  126    H    ILE  11           HN       ILE  11   0.773   2.056  -7.884
  127    HA   ILE  11           HA       ILE  11  -1.838   2.214  -6.692
  128    HB   ILE  11           HB       ILE  11  -0.758   3.569  -9.198
  129   1HG1  ILE  11          2HG1      ILE  11  -1.184   4.694  -6.408
  130   2HG1  ILE  11          3HG1      ILE  11   0.369   4.020  -6.913
  131   1HG2  ILE  11          3HG2      ILE  11  -3.376   3.695  -7.674
  132   2HG2  ILE  11          1HG2      ILE  11  -2.776   5.178  -8.396
  133   3HG2  ILE  11          2HG2      ILE  11  -3.091   3.775  -9.421
  134   1HD1  ILE  11          2HD1      ILE  11  -0.917   6.249  -8.509
  135   2HD1  ILE  11          3HD1      ILE  11   0.107   6.535  -7.092
  136   3HD1  ILE  11          1HD1      ILE  11   0.763   5.680  -8.505
  137    QG1  ILE  11           QG1      ILE  11  -0.408   4.357  -6.661
  138    QG2  ILE  11           QG2      ILE  11  -3.081   4.216  -8.497
  139    QD1  ILE  11           QD1      ILE  11  -0.015   6.155  -8.035
  140    H    GLY  12           HN       GLY  12  -0.773   1.273  -9.976
  141   1HA   GLY  12          1HA       GLY  12  -1.363  -0.928 -10.789
  142   2HA   GLY  12          2HA       GLY  12  -2.940  -0.812 -10.034
  143    QA   GLY  12           QA       GLY  12  -2.151  -0.870 -10.411
  144    HA   PRO  13           HA       PRO  13  -2.748   1.222 -14.380
  145   1HB   PRO  13          2HB       PRO  13  -2.810  -0.718 -16.254
  146   2HB   PRO  13          3HB       PRO  13  -1.327  -0.417 -15.313
  147   1HG   PRO  13          2HG       PRO  13  -3.467  -2.499 -14.739
  148   2HG   PRO  13          3HG       PRO  13  -1.709  -2.773 -14.913
  149   1HD   PRO  13          2HD       PRO  13  -2.914  -2.380 -12.467
  150   2HD   PRO  13          3HD       PRO  13  -1.265  -1.785 -12.820
  151    QB   PRO  13           QB       PRO  13  -2.069  -0.568 -15.783
  152    QG   PRO  13           QG       PRO  13  -2.588  -2.636 -14.826
  153    QD   PRO  13           QD       PRO  13  -2.090  -2.083 -12.644
  154    H    CYS  14           HN       CYS  14  -4.923   0.952 -12.618
  155    HA   CYS  14           HA       CYS  14  -7.208   0.391 -14.478
  156   1HB   CYS  14          2HB       CYS  14  -6.785  -0.296 -11.661
  157   2HB   CYS  14          3HB       CYS  14  -8.210   0.690 -11.898
  158    QB   CYS  14           QB       CYS  14  -7.497   0.197 -11.780
  159    H    LYS  15           HN       LYS  15  -9.054   1.886 -13.918
  160    HA   LYS  15           HA       LYS  15  -7.995   4.688 -13.898
  161   1HB   LYS  15          2HB       LYS  15  -9.768   5.242 -15.433
  162   2HB   LYS  15          3HB       LYS  15  -8.631   4.080 -16.117
  163   1HG   LYS  15          2HG       LYS  15 -10.134   2.266 -15.958
  164   2HG   LYS  15          3HG       LYS  15 -11.260   3.128 -14.903
  165   1HD   LYS  15          2HD       LYS  15 -10.633   3.985 -17.761
  166   2HD   LYS  15          3HD       LYS  15 -11.954   2.885 -17.326
  167   1HE   LYS  15          2HE       LYS  15 -12.880   4.666 -15.783
  168   2HE   LYS  15          3HE       LYS  15 -11.655   5.790 -16.383
  169   1HZ   LYS  15          1HZ       LYS  15 -13.715   4.502 -18.039
  170   2HZ   LYS  15          2HZ       LYS  15 -13.732   6.055 -17.506
  171   3HZ   LYS  15          3HZ       LYS  15 -12.579   5.572 -18.571
  172    QB   LYS  15           QB       LYS  15  -9.199   4.661 -15.775
  173    QG   LYS  15           QG       LYS  15 -10.697   2.697 -15.430
  174    QD   LYS  15           QD       LYS  15 -11.293   3.435 -17.543
  175    QE   LYS  15           QE       LYS  15 -12.267   5.228 -16.083
  176    QZ   LYS  15           QZ       LYS  15 -13.342   5.376 -18.039
  177    NH1  ARG  16           NH2      ARG  16 -14.293   5.175 -11.260
  178    NH2  ARG  16           NH1      ARG  16 -13.765   6.998  -9.930
  179    H    ARG  16           HN       ARG  16  -8.454   3.630 -11.580
  180    HA   ARG  16           HA       ARG  16 -10.810   5.107 -10.565
  181   1HB   ARG  16          2HB       ARG  16 -10.042   2.234 -10.071
  182   2HB   ARG  16          3HB       ARG  16 -10.685   3.134  -8.703
  183   1HG   ARG  16          2HG       ARG  16 -12.219   3.156 -11.309
  184   2HG   ARG  16          3HG       ARG  16 -12.224   1.725 -10.277
  185   1HD   ARG  16          2HD       ARG  16 -14.151   3.022  -9.637
  186   2HD   ARG  16          3HD       ARG  16 -12.984   2.991  -8.335
  187    HE   ARG  16           HE       ARG  16 -12.784   5.250  -8.410
  188   1HH1  ARG  16          2HH2      ARG  16 -14.223   4.184 -11.431
  189   2HH1  ARG  16          1HH2      ARG  16 -14.773   5.754 -11.933
  190   1HH2  ARG  16          2HH1      ARG  16 -13.355   7.387  -9.094
  191   2HH2  ARG  16          1HH1      ARG  16 -14.208   7.630 -10.581
  192    QB   ARG  16           QB       ARG  16 -10.363   2.684  -9.387
  193    QG   ARG  16           QG       ARG  16 -12.222   2.441 -10.793
  194    QD   ARG  16           QD       ARG  16 -13.568   3.006  -8.986
  195    QH1  ARG  16           QH2      ARG  16 -14.498   4.969 -11.682
  196    QH2  ARG  16           QH1      ARG  16 -13.781   7.509  -9.837
  197    H    LYS  17           HN       LYS  17 -10.489   5.350  -8.124
  198    HA   LYS  17           HA       LYS  17  -7.744   5.500  -7.181
  199   1HB   LYS  17          2HB       LYS  17  -9.524   7.955  -7.544
  200   2HB   LYS  17          3HB       LYS  17  -8.188   7.835  -6.401
  201   1HG   LYS  17          2HG       LYS  17  -6.601   7.370  -8.269
  202   2HG   LYS  17          3HG       LYS  17  -7.939   7.505  -9.403
  203   1HD   LYS  17          2HD       LYS  17  -6.793   9.510  -9.561
  204   2HD   LYS  17          3HD       LYS  17  -8.282   9.909  -8.709
  205   1HE   LYS  17          2HE       LYS  17  -5.604   9.360  -7.313
  206   2HE   LYS  17          3HE       LYS  17  -6.035  10.963  -7.909
  207   1HZ   LYS  17          3HZ       LYS  17  -7.746   9.558  -5.965
  208   2HZ   LYS  17          1HZ       LYS  17  -6.477  10.387  -5.507
  209   3HZ   LYS  17          2HZ       LYS  17  -7.700  11.173  -6.313
  210    QB   LYS  17           QB       LYS  17  -8.856   7.895  -6.973
  211    QG   LYS  17           QG       LYS  17  -7.270   7.438  -8.836
  212    QD   LYS  17           QD       LYS  17  -7.538   9.709  -9.135
  213    QE   LYS  17           QE       LYS  17  -5.820  10.161  -7.611
  214    QZ   LYS  17           QZ       LYS  17  -7.308  10.373  -5.928
  215    H    ILE  18           HN       ILE  18  -7.987   4.518  -5.219
  216    HA   ILE  18           HA       ILE  18 -10.506   4.816  -3.662
  217    HB   ILE  18           HB       ILE  18  -8.972   2.310  -4.401
  218   1HG1  ILE  18          2HG1      ILE  18 -11.953   2.951  -4.588
  219   2HG1  ILE  18          3HG1      ILE  18 -10.812   3.205  -5.916
  220   1HG2  ILE  18          2HG2      ILE  18 -11.119   2.586  -2.245
  221   2HG2  ILE  18          3HG2      ILE  18 -10.438   1.058  -2.836
  222   3HG2  ILE  18          1HG2      ILE  18  -9.416   2.176  -1.964
  223   1HD1  ILE  18          2HD1      ILE  18 -10.194   0.786  -5.832
  224   2HD1  ILE  18          3HD1      ILE  18 -11.523   0.526  -4.680
  225   3HD1  ILE  18          1HD1      ILE  18 -11.868   1.116  -6.310
  226    QG1  ILE  18           QG1      ILE  18 -11.382   3.078  -5.252
  227    QG2  ILE  18           QG2      ILE  18 -10.325   1.940  -2.349
  228    QD1  ILE  18           QD1      ILE  18 -11.195   0.809  -5.607
  229    HA   PRO  19           HA       PRO  19  -7.147   6.170  -0.970
  230   1HB   PRO  19          2HB       PRO  19  -8.571   6.585   1.363
  231   2HB   PRO  19          3HB       PRO  19  -8.520   7.717  -0.017
  232   1HG   PRO  19          2HG       PRO  19 -10.628   5.638   0.598
  233   2HG   PRO  19          3HG       PRO  19 -10.873   7.345   0.128
  234   1HD   PRO  19          2HD       PRO  19 -11.066   5.334  -1.650
  235   2HD   PRO  19          3HD       PRO  19 -10.300   6.878  -2.144
  236    QB   PRO  19           QB       PRO  19  -8.546   7.151   0.673
  237    QG   PRO  19           QG       PRO  19 -10.751   6.492   0.363
  238    QD   PRO  19           QD       PRO  19 -10.683   6.106  -1.897
  239    H    SER  20           HN       SER  20  -5.690   4.828  -0.006
  240    HA   SER  20           HA       SER  20  -6.496   2.866   1.983
  241   1HB   SER  20          2HB       SER  20  -4.840   1.911  -0.407
  242   2HB   SER  20          3HB       SER  20  -5.458   0.931   0.903
  243    HG   SER  20           HG       SER  20  -6.997   2.281  -1.042
  244    QB   SER  20           QB       SER  20  -5.149   1.421   0.248
  245    H    PHE  21           HN       PHE  21  -4.298   1.713   2.601
  246    HA   PHE  21           HA       PHE  21  -2.097   3.714   2.624
  247   1HB   PHE  21          2HB       PHE  21  -3.056   1.905   4.870
  248   2HB   PHE  21          3HB       PHE  21  -1.524   2.773   4.885
  249    HD1  PHE  21          2HD       PHE  21  -5.225   3.195   4.893
  250    HD2  PHE  21          1HD       PHE  21  -1.418   5.166   5.253
  251    HE1  PHE  21          2HE       PHE  21  -6.372   5.267   5.619
  252    HE2  PHE  21          1HE       PHE  21  -2.561   7.243   5.980
  253    HZ   PHE  21           HZ       PHE  21  -5.040   7.305   6.150
  254    QB   PHE  21           QB       PHE  21  -2.290   2.339   4.877
  255    QR   PHE  21           QR       PHE  21  -3.894   5.218   5.436
  256    OH   TYR  22           OH       TYR  22   4.118   5.173  -1.553
  257    H    TYR  22           HN       TYR  22  -0.008   2.846   2.350
  258    HA   TYR  22           HA       TYR  22   0.321  -0.065   2.177
  259   1HB   TYR  22          2HB       TYR  22   1.430  -0.023   0.167
  260   2HB   TYR  22          3HB       TYR  22  -0.006   0.885  -0.245
  261    HD1  TYR  22           HD2      TYR  22   0.372   3.580   0.379
  262    HD2  TYR  22           HD1      TYR  22   3.412   0.743  -0.772
  263    HE1  TYR  22           HE2      TYR  22   1.750   5.421  -0.460
  264    HE2  TYR  22           HE1      TYR  22   4.792   2.593  -1.645
  265    HH   TYR  22           HH       TYR  22   3.718   6.011  -1.306
  266    QB   TYR  22           QB       TYR  22   0.712   0.431  -0.039
  267    QR   TYR  22           QR       TYR  22   2.581   3.084  -0.624
  268    OH   TYR  23           OH       TYR  23   9.204  -0.144   7.266
  269    H    TYR  23           HN       TYR  23   2.716  -0.516   2.158
  270    HA   TYR  23           HA       TYR  23   4.162   1.415   3.901
  271   1HB   TYR  23          2HB       TYR  23   3.731  -0.949   4.647
  272   2HB   TYR  23          3HB       TYR  23   4.743  -1.492   3.333
  273    HD1  TYR  23           HD1      TYR  23   7.187  -0.741   3.258
  274    HD2  TYR  23           HD2      TYR  23   4.704  -0.453   6.742
  275    HE1  TYR  23           HE1      TYR  23   9.186  -0.616   4.698
  276    HE2  TYR  23           HE2      TYR  23   6.693  -0.055   8.145
  277    HH   TYR  23           HH       TYR  23   9.046   0.315   8.096
  278    QB   TYR  23           QB       TYR  23   4.237  -1.220   3.990
  279    QR   TYR  23           QR       TYR  23   6.942  -0.466   5.711
  280    H    LYS  24           HN       LYS  24   5.474   2.809   2.694
  281    HA   LYS  24           HA       LYS  24   6.506   1.823   0.077
  282   1HB   LYS  24          2HB       LYS  24   5.688   4.095   0.234
  283   2HB   LYS  24          3HB       LYS  24   6.898   4.498   1.447
  284   1HG   LYS  24          2HG       LYS  24   8.564   4.700  -0.084
  285   2HG   LYS  24          3HG       LYS  24   8.061   3.278  -1.011
  286   1HD   LYS  24          2HD       LYS  24   6.345   4.447  -2.142
  287   2HD   LYS  24          3HD       LYS  24   6.541   5.899  -1.125
  288   1HE   LYS  24          2HE       LYS  24   8.748   6.318  -2.141
  289   2HE   LYS  24          3HE       LYS  24   8.615   4.824  -3.090
  290   1HZ   LYS  24          3HZ       LYS  24   6.618   5.807  -4.122
  291   2HZ   LYS  24          1HZ       LYS  24   6.910   7.218  -3.339
  292   3HZ   LYS  24          2HZ       LYS  24   7.986   6.657  -4.443
  293    QB   LYS  24           QB       LYS  24   6.293   4.296   0.840
  294    QG   LYS  24           QG       LYS  24   8.312   3.989  -0.547
  295    QD   LYS  24           QD       LYS  24   6.443   5.173  -1.633
  296    QE   LYS  24           QE       LYS  24   8.681   5.571  -2.616
  297    QZ   LYS  24           QZ       LYS  24   7.171   6.561  -3.968
  298    CH2  TRP  25           CH2      TRP  25  11.950  -3.923   5.247
  299    H    TRP  25           HN       TRP  25   8.037   0.214   0.558
  300    HA   TRP  25           HA       TRP  25   9.867   0.237   2.644
  301   1HB   TRP  25          2HB       TRP  25   9.360  -1.602   1.031
  302   2HB   TRP  25          3HB       TRP  25  10.479  -0.871  -0.114
  303    HD1  TRP  25           HD1      TRP  25  13.049  -1.243   0.326
  304    HE1  TRP  25           HE1      TRP  25  14.428  -2.569   2.001
  305    HE3  TRP  25           HE3      TRP  25   9.308  -2.605   3.538
  306    HZ2  TRP  25           HZ2      TRP  25  14.000  -3.901   4.562
  307    HZ3  TRP  25           HZ3      TRP  25   9.821  -3.825   5.616
  308    HH2  TRP  25           HH2      TRP  25  12.170  -4.449   6.165
  309    QB   TRP  25           QB       TRP  25   9.919  -1.237   0.458
  310    H    LYS  26           HN       LYS  26  10.140   1.904  -0.450
  311    HA   LYS  26           HA       LYS  26  12.844   2.671  -0.301
  312   1HB   LYS  26          2HB       LYS  26  11.100   2.862  -2.178
  313   2HB   LYS  26          3HB       LYS  26  10.637   4.411  -1.478
  314   1HG   LYS  26          2HG       LYS  26  13.544   3.827  -2.163
  315   2HG   LYS  26          3HG       LYS  26  12.380   4.133  -3.455
  316   1HD   LYS  26          2HD       LYS  26  11.799   6.339  -2.450
  317   2HD   LYS  26          3HD       LYS  26  12.937   6.037  -1.139
  318   1HE   LYS  26          2HE       LYS  26  13.963   7.519  -2.745
  319   2HE   LYS  26          3HE       LYS  26  14.833   5.982  -2.704
  320   1HZ   LYS  26          1HZ       LYS  26  12.853   6.759  -4.756
  321   2HZ   LYS  26          2HZ       LYS  26  14.482   6.811  -4.935
  322   3HZ   LYS  26          3HZ       LYS  26  13.735   5.365  -4.742
  323    QB   LYS  26           QB       LYS  26  10.868   3.637  -1.828
  324    QG   LYS  26           QG       LYS  26  12.962   3.980  -2.809
  325    QD   LYS  26           QD       LYS  26  12.368   6.188  -1.794
  326    QE   LYS  26           QE       LYS  26  14.398   6.750  -2.725
  327    QZ   LYS  26           QZ       LYS  26  13.690   6.312  -4.811
  328    H    ALA  27           HN       ALA  27  10.092   3.781   1.565
  329    HA   ALA  27           HA       ALA  27  11.685   5.955   2.851
  330   1HB   ALA  27          3HB       ALA  27   9.551   6.651   1.811
  331   2HB   ALA  27          1HB       ALA  27   8.683   5.466   2.815
  332   3HB   ALA  27          2HB       ALA  27   9.527   6.828   3.578
  333    QB   ALA  27           QB       ALA  27   9.254   6.315   2.734
  334    H    LYS  28           HN       LYS  28  10.202   2.829   3.322
  335    HA   LYS  28           HA       LYS  28  10.032   1.408   5.010
  336   1HB   LYS  28          2HB       LYS  28  12.381   2.999   5.971
  337   2HB   LYS  28          3HB       LYS  28  11.658   1.837   7.076
  338   1HG   LYS  28          2HG       LYS  28  12.243   0.010   5.914
  339   2HG   LYS  28          3HG       LYS  28  12.130   0.788   4.332
  340   1HD   LYS  28          2HD       LYS  28  14.177   1.960   4.594
  341   2HD   LYS  28          3HD       LYS  28  14.306   1.520   6.315
  342   1HE   LYS  28          2HE       LYS  28  14.593  -0.848   5.744
  343   2HE   LYS  28          3HE       LYS  28  14.346  -0.503   4.021
  344   1HZ   LYS  28          1HZ       LYS  28  16.559   0.596   5.627
  345   2HZ   LYS  28          2HZ       LYS  28  16.685  -0.723   4.656
  346   3HZ   LYS  28          3HZ       LYS  28  16.352   0.749   4.001
  347    QB   LYS  28           QB       LYS  28  12.020   2.418   6.524
  348    QG   LYS  28           QG       LYS  28  12.187   0.399   5.123
  349    QD   LYS  28           QD       LYS  28  14.242   1.740   5.454
  350    QE   LYS  28           QE       LYS  28  14.469  -0.676   4.882
  351    QZ   LYS  28           QZ       LYS  28  16.532   0.208   4.761
  352    H    GLN  29           HN       GLN  29   8.008   3.179   4.813
  353    HA   GLN  29           HA       GLN  29   6.929   2.840   7.451
  354   1HB   GLN  29          2HB       GLN  29   7.767   5.592   6.556
  355   2HB   GLN  29          3HB       GLN  29   6.143   5.455   7.220
  356   1HG   GLN  29          2HG       GLN  29   7.277   4.165   9.205
  357   2HG   GLN  29          3HG       GLN  29   8.759   4.950   8.635
  358   1HE2  GLN  29          2HE2      GLN  29   7.375   8.298   9.252
  359   2HE2  GLN  29          1HE2      GLN  29   8.335   7.422   8.071
  360    QB   GLN  29           QB       GLN  29   6.955   5.524   6.888
  361    QG   GLN  29           QG       GLN  29   8.018   4.558   8.920
  362    QE2  GLN  29           QE2      GLN  29   7.855   7.860   8.662
  363    H    CYS  30           HN       CYS  30   4.699   3.617   7.589
  364    HA   CYS  30           HA       CYS  30   3.159   2.679   5.275
  365   1HB   CYS  30          2HB       CYS  30   2.502   3.366   8.123
  366   2HB   CYS  30          3HB       CYS  30   1.281   2.851   6.957
  367    QB   CYS  30           QB       CYS  30   1.891   3.108   7.540
  368    H    LEU  31           HN       LEU  31   1.899   3.956   4.037
  369    HA   LEU  31           HA       LEU  31   1.642   6.847   4.671
  370   1HB   LEU  31          2HB       LEU  31   2.654   5.628   2.075
  371   2HB   LEU  31          3HB       LEU  31   2.422   7.352   2.367
  372    HG   LEU  31           HG       LEU  31   4.458   5.571   3.782
  373   1HD1  LEU  31          1HD1      LEU  31   4.860   5.958   1.343
  374   2HD1  LEU  31          2HD1      LEU  31   4.891   7.700   1.655
  375   3HD1  LEU  31          3HD1      LEU  31   6.113   6.646   2.396
  376   1HD2  LEU  31          3HD2      LEU  31   4.144   8.613   3.825
  377   2HD2  LEU  31          1HD2      LEU  31   3.801   7.546   5.193
  378   3HD2  LEU  31          2HD2      LEU  31   5.452   7.685   4.584
  379    QB   LEU  31           QB       LEU  31   2.538   6.490   2.221
  380    QD1  LEU  31           QD1      LEU  31   5.288   6.768   1.798
  381    QD2  LEU  31           QD2      LEU  31   4.466   7.948   4.534
  382    QQD  LEU  31           QQD      LEU  31   4.877   7.358   3.166
  383    HA   PRO  32           HA       PRO  32  -2.408   6.177   2.718
  384   1HB   PRO  32          2HB       PRO  32  -3.066   8.793   2.152
  385   2HB   PRO  32          3HB       PRO  32  -3.135   8.115   3.790
  386   1HG   PRO  32          2HG       PRO  32  -0.947   9.777   2.543
  387   2HG   PRO  32          3HG       PRO  32  -1.643   9.925   4.181
  388   1HD   PRO  32          2HD       PRO  32   0.718   8.653   3.659
  389   2HD   PRO  32          3HD       PRO  32  -0.371   8.112   4.971
  390    QB   PRO  32           QB       PRO  32  -3.101   8.454   2.971
  391    QG   PRO  32           QG       PRO  32  -1.295   9.851   3.362
  392    QD   PRO  32           QD       PRO  32   0.174   8.383   4.315
  393    H    PHE  33           HN       PHE  33  -3.264   6.090   0.545
  394    HA   PHE  33           HA       PHE  33  -2.295   7.843  -1.500
  395   1HB   PHE  33          2HB       PHE  33  -1.215   6.348  -2.955
  396   2HB   PHE  33          3HB       PHE  33  -0.429   6.074  -1.418
  397    HD1  PHE  33          2HD       PHE  33  -1.910   4.165   0.074
  398    HD2  PHE  33          1HD       PHE  33  -1.689   4.430  -4.221
  399    HE1  PHE  33          2HE       PHE  33  -2.277   1.732  -0.113
  400    HE2  PHE  33          1HE       PHE  33  -1.688   1.961  -4.364
  401    HZ   PHE  33           HZ       PHE  33  -1.849   0.609  -2.232
  402    QB   PHE  33           QB       PHE  33  -0.822   6.211  -2.186
  403    QR   PHE  33           QR       PHE  33  -1.891   3.072  -2.156
  404    H    ASP  34           HN       ASP  34  -3.292   7.053  -3.708
  405    HA   ASP  34           HA       ASP  34  -5.997   5.896  -3.265
  406   1HB   ASP  34          2HB       ASP  34  -4.710   7.522  -5.488
  407   2HB   ASP  34          3HB       ASP  34  -6.223   6.639  -5.675
  408    QB   ASP  34           QB       ASP  34  -5.466   7.080  -5.581
  409    OH   TYR  35           OH       TYR  35  -5.480  -3.664  -7.107
  410    H    TYR  35           HN       TYR  35  -5.923   3.703  -3.496
  411    HA   TYR  35           HA       TYR  35  -4.069   2.359  -5.334
  412   1HB   TYR  35          2HB       TYR  35  -4.979   1.211  -3.355
  413   2HB   TYR  35          3HB       TYR  35  -6.621   1.478  -3.924
  414    HD1  TYR  35           HD1      TYR  35  -3.585   0.232  -5.763
  415    HD2  TYR  35           HD2      TYR  35  -7.542  -0.670  -4.376
  416    HE1  TYR  35           HE1      TYR  35  -3.604  -1.786  -7.176
  417    HE2  TYR  35           HE2      TYR  35  -7.342  -2.935  -5.412
  418    HH   TYR  35           HH       TYR  35  -6.378  -4.011  -7.214
  419    QB   TYR  35           QB       TYR  35  -5.800   1.344  -3.640
  420    QR   TYR  35           QR       TYR  35  -5.518  -1.290  -5.682
  421    H    SER  36           HN       SER  36  -4.838   1.406  -7.410
  422    HA   SER  36           HA       SER  36  -6.941   3.014  -8.652
  423   1HB   SER  36          2HB       SER  36  -6.425   1.867 -10.666
  424   2HB   SER  36          3HB       SER  36  -4.923   2.374  -9.909
  425    HG   SER  36           HG       SER  36  -4.537   0.287  -9.255
  426    QB   SER  36           QB       SER  36  -5.674   2.121 -10.287
  427    H    GLY  37           HN       GLY  37  -6.547  -0.498  -8.690
  428   1HA   GLY  37          1HA       GLY  37  -8.771  -1.337  -7.160
  429   2HA   GLY  37          2HA       GLY  37  -9.373  -1.032  -8.798
  430    QA   GLY  37           QA       GLY  37  -9.072  -1.184  -7.979
  431    H    CYS  38           HN       CYS  38  -7.238  -1.779 -10.374
  432    HA   CYS  38           HA       CYS  38  -6.955  -4.701  -9.845
  433   1HB   CYS  38          2HB       CYS  38  -6.873  -5.072 -12.189
  434   2HB   CYS  38          3HB       CYS  38  -8.387  -4.279 -11.778
  435    QB   CYS  38           QB       CYS  38  -7.630  -4.676 -11.984
  436    H    GLY  39           HN       GLY  39  -5.026  -5.693 -10.536
  437   1HA   GLY  39          1HA       GLY  39  -2.770  -5.930 -10.646
  438   2HA   GLY  39          2HA       GLY  39  -2.730  -4.437 -11.581
  439    QA   GLY  39           QA       GLY  39  -2.750  -5.183 -11.114
  440    H    GLY  40           HN       GLY  40  -3.783  -4.940  -8.193
  441   1HA   GLY  40          1HA       GLY  40  -1.575  -3.283  -7.143
  442   2HA   GLY  40          2HA       GLY  40  -2.935  -3.853  -6.229
  443    QA   GLY  40           QA       GLY  40  -2.255  -3.568  -6.686
  444    H    ASN  41           HN       ASN  41  -0.170  -4.106  -5.663
  445    HA   ASN  41           HA       ASN  41   0.439  -6.994  -5.599
  446   1HB   ASN  41          2HB       ASN  41   2.381  -6.249  -4.311
  447   2HB   ASN  41          3HB       ASN  41   2.300  -5.464  -5.884
  448   1HD2  ASN  41          2HD2      ASN  41   3.075  -2.485  -4.090
  449   2HD2  ASN  41          1HD2      ASN  41   3.690  -3.745  -5.129
  450    QB   ASN  41           QB       ASN  41   2.341  -5.856  -5.098
  451    QD2  ASN  41           QD2      ASN  41   3.382  -3.115  -4.610
  452    H    ALA  42           HN       ALA  42   1.362  -7.322  -2.996
  453    HA   ALA  42           HA       ALA  42  -1.253  -7.361  -1.533
  454   1HB   ALA  42          2HB       ALA  42   1.406  -8.703  -0.962
  455   2HB   ALA  42          3HB       ALA  42  -0.076  -8.899  -0.005
  456   3HB   ALA  42          1HB       ALA  42  -0.018  -9.445  -1.694
  457    QB   ALA  42           QB       ALA  42   0.437  -9.016  -0.887
  458    H    ASN  43           HN       ASN  43   1.020  -5.003  -1.785
  459    HA   ASN  43           HA       ASN  43   1.232  -4.430   1.103
  460   1HB   ASN  43          2HB       ASN  43   3.065  -4.178  -0.695
  461   2HB   ASN  43          3HB       ASN  43   2.194  -2.719  -1.227
  462   1HD2  ASN  43          2HD2      ASN  43   4.826  -1.612   1.080
  463   2HD2  ASN  43          1HD2      ASN  43   4.790  -2.458  -0.427
  464    QB   ASN  43           QB       ASN  43   2.629  -3.449  -0.961
  465    QD2  ASN  43           QD2      ASN  43   4.808  -2.035   0.326
  466    NH1  ARG  44           NH2      ARG  44  -2.105  -1.019  -4.037
  467    NH2  ARG  44           NH1      ARG  44  -1.442  -3.210  -3.843
  468    H    ARG  44           HN       ARG  44  -1.248  -4.420   1.140
  469    HA   ARG  44           HA       ARG  44  -2.156  -1.595   0.814
  470   1HB   ARG  44          2HB       ARG  44  -2.639  -3.408  -1.155
  471   2HB   ARG  44          3HB       ARG  44  -4.113  -3.589  -0.199
  472   1HG   ARG  44          2HG       ARG  44  -4.580  -1.192  -0.335
  473   2HG   ARG  44          3HG       ARG  44  -3.004  -0.899  -1.076
  474   1HD   ARG  44          2HD       ARG  44  -5.420  -2.207  -2.352
  475   2HD   ARG  44          3HD       ARG  44  -4.531  -0.794  -2.823
  476    HE   ARG  44           HE       ARG  44  -3.825  -3.616  -3.240
  477   1HH1  ARG  44          2HH2      ARG  44  -2.820  -0.329  -3.880
  478   2HH1  ARG  44          1HH2      ARG  44  -1.347  -0.779  -4.678
  479   1HH2  ARG  44          2HH1      ARG  44  -1.661  -4.172  -3.587
  480   2HH2  ARG  44          1HH1      ARG  44  -0.453  -2.968  -3.807
  481    QB   ARG  44           QB       ARG  44  -3.376  -3.499  -0.677
  482    QG   ARG  44           QG       ARG  44  -3.792  -1.045  -0.706
  483    QD   ARG  44           QD       ARG  44  -4.976  -1.500  -2.587
  484    QH1  ARG  44           QH2      ARG  44  -2.084  -0.554  -4.279
  485    QH2  ARG  44           QH1      ARG  44  -1.057  -3.570  -3.697
  486    H    PHE  45           HN       PHE  45  -3.319  -0.918   2.410
  487    HA   PHE  45           HA       PHE  45  -4.813  -2.719   4.305
  488   1HB   PHE  45          2HB       PHE  45  -2.898  -0.468   4.950
  489   2HB   PHE  45          3HB       PHE  45  -3.835  -1.440   6.072
  490    HD1  PHE  45          2HD       PHE  45  -3.280  -3.877   6.400
  491    HD2  PHE  45          1HD       PHE  45  -0.893  -1.426   3.799
  492    HE1  PHE  45          2HE       PHE  45  -1.351  -5.398   6.749
  493    HE2  PHE  45          1HE       PHE  45   0.994  -3.022   4.023
  494    HZ   PHE  45           HZ       PHE  45   0.801  -4.951   5.596
  495    QB   PHE  45           QB       PHE  45  -3.366  -0.954   5.511
  496    QR   PHE  45           QR       PHE  45  -1.133  -3.431   5.243
  497    H    LYS  46           HN       LYS  46  -6.623  -1.749   5.185
  498    HA   LYS  46           HA       LYS  46  -7.680   0.534   3.643
  499   1HB   LYS  46          2HB       LYS  46  -8.776  -1.424   5.634
  500   2HB   LYS  46          3HB       LYS  46  -9.587   0.128   5.456
  501   1HG   LYS  46          2HG       LYS  46  -8.912  -1.542   2.987
  502   2HG   LYS  46          3HG       LYS  46 -10.300  -1.915   3.993
  503   1HD   LYS  46          2HD       LYS  46 -11.515  -0.479   2.884
  504   2HD   LYS  46          3HD       LYS  46 -10.634   0.841   3.615
  505   1HE   LYS  46          2HE       LYS  46  -9.931  -0.495   0.936
  506   2HE   LYS  46          3HE       LYS  46 -10.928   0.950   1.124
  507   1HZ   LYS  46          1HZ       LYS  46  -9.007   2.052   2.144
  508   2HZ   LYS  46          2HZ       LYS  46  -8.063   0.752   1.750
  509   3HZ   LYS  46          3HZ       LYS  46  -8.738   1.686   0.612
  510    QB   LYS  46           QB       LYS  46  -9.181  -0.648   5.545
  511    QG   LYS  46           QG       LYS  46  -9.606  -1.729   3.490
  512    QD   LYS  46           QD       LYS  46 -11.075   0.181   3.250
  513    QE   LYS  46           QE       LYS  46 -10.429   0.227   1.030
  514    QZ   LYS  46           QZ       LYS  46  -8.603   1.497   1.502
  515    H    THR  47           HN       THR  47  -6.081  -0.180   6.662
  516    HA   THR  47           HA       THR  47  -6.239   2.738   7.370
  517    HB   THR  47           HB       THR  47  -6.229   2.189   9.672
  518    HG1  THR  47          1HG       THR  47  -5.937  -0.475   8.743
  519   1HG2  THR  47          3HG2      THR  47  -8.457   2.069   8.497
  520   2HG2  THR  47          1HG2      THR  47  -8.267   0.303   8.399
  521   3HG2  THR  47          2HG2      THR  47  -8.345   1.089   9.982
  522    QG2  THR  47           QG2      THR  47  -8.356   1.154   8.959
  523    H    ILE  48           HN       ILE  48  -4.476   3.687   8.210
  524    HA   ILE  48           HA       ILE  48  -1.859   2.698   7.604
  525    HB   ILE  48           HB       ILE  48  -2.851   5.120   8.030
  526   1HG1  ILE  48          2HG1      ILE  48  -0.482   4.511   7.380
  527   2HG1  ILE  48          3HG1      ILE  48  -0.877   6.110   8.015
  528   1HG2  ILE  48          3HG2      ILE  48  -3.649   4.739  10.277
  529   2HG2  ILE  48          1HG2      ILE  48  -1.988   4.533  10.859
  530   3HG2  ILE  48          2HG2      ILE  48  -2.503   6.089  10.180
  531   1HD1  ILE  48          1HD1      ILE  48   0.249   3.868   9.703
  532   2HD1  ILE  48          2HD1      ILE  48   1.185   5.197   8.964
  533   3HD1  ILE  48          3HD1      ILE  48  -0.041   5.559  10.196
  534    QG1  ILE  48           QG1      ILE  48  -0.680   5.311   7.698
  535    QG2  ILE  48           QG2      ILE  48  -2.713   5.120  10.439
  536    QD1  ILE  48           QD1      ILE  48   0.464   4.875   9.621
  537    H    GLU  49           HN       GLU  49  -3.920   2.472  10.495
  538    HA   GLU  49           HA       GLU  49  -1.794   1.581  12.160
  539   1HB   GLU  49          2HB       GLU  49  -4.835   1.181  12.321
  540   2HB   GLU  49          3HB       GLU  49  -3.709   0.758  13.621
  541   1HG   GLU  49          2HG       GLU  49  -3.953   3.589  12.496
  542   2HG   GLU  49          3HG       GLU  49  -4.784   2.994  13.938
  543    QB   GLU  49           QB       GLU  49  -4.272   0.970  12.971
  544    QG   GLU  49           QG       GLU  49  -4.369   3.292  13.217
  545    H    GLU  50           HN       GLU  50  -4.119  -0.249  10.093
  546    HA   GLU  50           HA       GLU  50  -3.189  -2.842  10.915
  547   1HB   GLU  50          2HB       GLU  50  -4.059  -1.780   8.212
  548   2HB   GLU  50          3HB       GLU  50  -3.750  -3.490   8.538
  549   1HG   GLU  50          2HG       GLU  50  -5.651  -3.809   9.802
  550   2HG   GLU  50          3HG       GLU  50  -5.849  -2.110  10.196
  551    QB   GLU  50           QB       GLU  50  -3.905  -2.635   8.375
  552    QG   GLU  50           QG       GLU  50  -5.750  -2.960   9.999
  553    H    CYS  51           HN       CYS  51  -2.125  -0.745   8.176
  554    HA   CYS  51           HA       CYS  51   0.057  -2.248   7.349
  555   1HB   CYS  51          2HB       CYS  51  -0.742  -0.266   6.129
  556   2HB   CYS  51          3HB       CYS  51  -0.160   0.792   7.406
  557    QB   CYS  51           QB       CYS  51  -0.451   0.263   6.767
  558    NH1  ARG  52           NH2      ARG  52   2.099   5.735  13.862
  559    NH2  ARG  52           NH1      ARG  52   2.608   6.282  11.666
  560    H    ARG  52           HN       ARG  52   0.134   0.367   9.806
  561    HA   ARG  52           HA       ARG  52   2.899   0.147  10.351
  562   1HB   ARG  52          2HB       ARG  52   1.385   2.017  10.975
  563   2HB   ARG  52          3HB       ARG  52   0.666   1.001  12.236
  564   1HG   ARG  52          2HG       ARG  52   2.785   0.845  13.419
  565   2HG   ARG  52          3HG       ARG  52   3.647   1.663  12.104
  566   1HD   ARG  52          2HD       ARG  52   1.405   2.913  13.748
  567   2HD   ARG  52          3HD       ARG  52   3.146   3.114  14.070
  568    HE   ARG  52           HE       ARG  52   2.592   3.782  11.345
  569   1HH1  ARG  52          2HH2      ARG  52   1.861   5.023  14.537
  570   2HH1  ARG  52          1HH2      ARG  52   2.034   6.703  14.133
  571   1HH2  ARG  52          2HH1      ARG  52   2.862   6.005  10.728
  572   2HH2  ARG  52          1HH1      ARG  52   2.562   7.267  11.875
  573    QB   ARG  52           QB       ARG  52   1.026   1.509  11.606
  574    QG   ARG  52           QG       ARG  52   3.216   1.254  12.761
  575    QD   ARG  52           QD       ARG  52   2.275   3.013  13.909
  576    QH1  ARG  52           QH2      ARG  52   1.947   5.863  14.335
  577    QH2  ARG  52           QH1      ARG  52   2.712   6.636  11.302
  578    NH1  ARG  53           NH2      ARG  53  -0.801  -5.642  17.493
  579    NH2  ARG  53           NH1      ARG  53  -3.049  -6.174  17.710
  580    H    ARG  53           HN       ARG  53   0.062  -1.458  11.847
  581    HA   ARG  53           HA       ARG  53   1.713  -2.695  13.858
  582   1HB   ARG  53          2HB       ARG  53  -0.577  -1.863  14.131
  583   2HB   ARG  53          3HB       ARG  53  -1.199  -3.191  13.126
  584   1HG   ARG  53          2HG       ARG  53  -0.705  -4.801  14.750
  585   2HG   ARG  53          3HG       ARG  53   0.542  -3.790  15.516
  586   1HD   ARG  53          2HD       ARG  53  -0.909  -2.800  16.935
  587   2HD   ARG  53          3HD       ARG  53  -2.050  -2.434  15.652
  588    HE   ARG  53           HE       ARG  53  -3.386  -4.047  16.404
  589   1HH1  ARG  53          2HH2      ARG  53  -0.098  -5.008  17.135
  590   2HH1  ARG  53          1HH2      ARG  53  -0.505  -6.473  17.981
  591   1HH2  ARG  53          2HH1      ARG  53  -4.022  -5.956  17.545
  592   2HH2  ARG  53          1HH1      ARG  53  -2.827  -7.015  18.220
  593    QB   ARG  53           QB       ARG  53  -0.888  -2.527  13.628
  594    QG   ARG  53           QG       ARG  53  -0.082  -4.296  15.133
  595    QD   ARG  53           QD       ARG  53  -1.480  -2.617  16.293
  596    QH1  ARG  53           QH2      ARG  53  -0.301  -5.741  17.558
  597    QH2  ARG  53           QH1      ARG  53  -3.424  -6.486  17.883
  598    H    THR  54           HN       THR  54   0.776  -3.588  10.625
  599    HA   THR  54           HA       THR  54   1.505  -6.395  10.923
  600    HB   THR  54           HB       THR  54   1.131  -4.618   8.470
  601    HG1  THR  54          1HG       THR  54  -0.466  -6.415   9.935
  602   1HG2  THR  54          1HG2      THR  54   1.622  -7.617   8.737
  603   2HG2  THR  54          2HG2      THR  54   0.964  -6.833   7.287
  604   3HG2  THR  54          3HG2      THR  54   2.603  -6.442   7.827
  605    QG2  THR  54           QG2      THR  54   1.729  -6.964   7.950
  606    H    CYS  55           HN       CYS  55   3.173  -3.480   9.494
  607    HA   CYS  55           HA       CYS  55   5.543  -5.247   9.149
  608   1HB   CYS  55          2HB       CYS  55   4.968  -2.524   8.033
  609   2HB   CYS  55          3HB       CYS  55   6.515  -3.368   7.889
  610    QB   CYS  55           QB       CYS  55   5.742  -2.946   7.961
  611    H    VAL  56           HN       VAL  56   4.646  -2.445  11.027
  612    HA   VAL  56           HA       VAL  56   7.315  -2.243  12.314
  613    HB   VAL  56           HB       VAL  56   4.980  -0.289  12.536
  614   1HG1  VAL  56          2HG1      VAL  56   7.950  -0.044  13.088
  615   2HG1  VAL  56          3HG1      VAL  56   6.913   1.369  12.821
  616   3HG1  VAL  56          1HG1      VAL  56   6.573   0.319  14.166
  617   1HG2  VAL  56          1HG2      VAL  56   7.138  -0.317  10.408
  618   2HG2  VAL  56          2HG2      VAL  56   5.373  -0.381  10.156
  619   3HG2  VAL  56          3HG2      VAL  56   6.110   1.089  10.761
  620    QG1  VAL  56           QG1      VAL  56   7.145   0.548  13.358
  621    QG2  VAL  56           QG2      VAL  56   6.207   0.131  10.442
  622    QQG  VAL  56           QQG      VAL  56   6.676   0.339  11.900
  623    H    GLY  57           HN       GLY  57   6.524  -1.410  14.811
  624   1HA   GLY  57          1HA       GLY  57   4.893  -3.531  16.025
  625   2HA   GLY  57          2HA       GLY  57   5.613  -2.108  16.808
  626    QA   GLY  57           QA       GLY  57   5.253  -2.819  16.416
   
  Start of MODEL          10
 Raw file had  626 H/Q atoms
  Start of MODEL   10
    1    H    ALA   1           HN       ALA   1   9.389  -6.439  10.258
    2    HA   ALA   1           HA       ALA   1   7.447  -6.221   8.784
    3   1HB   ALA   1          1HB       ALA   1  10.161  -6.000   7.400
    4   2HB   ALA   1          2HB       ALA   1   8.657  -5.290   6.792
    5   3HB   ALA   1          3HB       ALA   1   9.335  -4.732   8.332
    6    QB   ALA   1           QB       ALA   1   9.384  -5.340   7.508
    7    H    ALA   2           HN       ALA   2   6.299  -6.996   6.919
    8    HA   ALA   2           HA       ALA   2   6.635  -9.829   6.345
    9   1HB   ALA   2          1HB       ALA   2   4.417  -8.779   6.538
   10   2HB   ALA   2          2HB       ALA   2   4.785  -7.717   5.159
   11   3HB   ALA   2          3HB       ALA   2   4.650  -9.472   4.925
   12    QB   ALA   2           QB       ALA   2   4.618  -8.656   5.541
   13    H    LYS   3           HN       LYS   3   6.624 -10.593   3.985
   14    HA   LYS   3           HA       LYS   3   8.926  -9.524   2.607
   15   1HB   LYS   3          2HB       LYS   3   7.090 -11.806   2.269
   16   2HB   LYS   3          3HB       LYS   3   7.396 -11.003   0.733
   17   1HG   LYS   3          2HG       LYS   3   9.006 -12.707   0.940
   18   2HG   LYS   3          3HG       LYS   3   9.853 -11.166   1.124
   19   1HD   LYS   3          2HD       LYS   3   9.761 -11.435   3.617
   20   2HD   LYS   3          3HD       LYS   3   8.936 -12.979   3.434
   21   1HE   LYS   3          2HE       LYS   3  11.749 -12.325   2.406
   22   2HE   LYS   3          3HE       LYS   3  11.395 -13.130   3.939
   23   1HZ   LYS   3          1HZ       LYS   3  10.709 -14.212   1.287
   24   2HZ   LYS   3          2HZ       LYS   3  11.955 -14.695   2.238
   25   3HZ   LYS   3          3HZ       LYS   3  10.411 -14.939   2.736
   26    QB   LYS   3           QB       LYS   3   7.243 -11.405   1.501
   27    QG   LYS   3           QG       LYS   3   9.430 -11.936   1.032
   28    QD   LYS   3           QD       LYS   3   9.349 -12.207   3.525
   29    QE   LYS   3           QE       LYS   3  11.572 -12.728   3.172
   30    QZ   LYS   3           QZ       LYS   3  11.025 -14.616   2.087
   31    OH   TYR   4           OH       TYR   4   1.054  -8.805   5.496
   32    H    TYR   4           HN       TYR   4   5.411  -9.390   1.971
   33    HA   TYR   4           HA       TYR   4   5.672  -7.817  -0.353
   34   1HB   TYR   4          2HB       TYR   4   3.266  -7.388  -0.069
   35   2HB   TYR   4          3HB       TYR   4   3.736  -9.087   0.002
   36    HD1  TYR   4           HD2      TYR   4   2.975  -6.190   2.325
   37    HD2  TYR   4           HD1      TYR   4   2.905 -10.464   1.696
   38    HE1  TYR   4           HE2      TYR   4   1.964  -6.510   4.542
   39    HE2  TYR   4           HE1      TYR   4   1.713 -10.752   3.837
   40    HH   TYR   4           HH       TYR   4   0.735  -9.698   5.645
   41    QB   TYR   4           QB       TYR   4   3.501  -8.238  -0.033
   42    QR   TYR   4           QR       TYR   4   2.389  -8.479   3.100
   43    H    CYS   5           HN       CYS   5   5.976  -6.915   2.917
   44    HA   CYS   5           HA       CYS   5   5.339  -4.175   2.989
   45   1HB   CYS   5          2HB       CYS   5   6.417  -5.755   4.807
   46   2HB   CYS   5          3HB       CYS   5   7.944  -5.266   4.057
   47    QB   CYS   5           QB       CYS   5   7.180  -5.510   4.432
   48    H    LYS   6           HN       LYS   6   7.973  -5.908   1.319
   49    HA   LYS   6           HA       LYS   6   9.529  -3.588   0.661
   50   1HB   LYS   6          2HB       LYS   6  10.482  -5.739   1.144
   51   2HB   LYS   6          3HB       LYS   6   9.592  -6.489  -0.195
   52   1HG   LYS   6          2HG       LYS   6  10.799  -5.361  -1.833
   53   2HG   LYS   6          3HG       LYS   6  11.521  -4.213  -0.676
   54   1HD   LYS   6          2HD       LYS   6  12.934  -5.806   0.260
   55   2HD   LYS   6          3HD       LYS   6  11.910  -7.160  -0.280
   56   1HE   LYS   6          2HE       LYS   6  12.578  -6.610  -2.682
   57   2HE   LYS   6          3HE       LYS   6  13.770  -5.478  -2.024
   58   1HZ   LYS   6          3HZ       LYS   6  14.755  -7.401  -0.860
   59   2HZ   LYS   6          1HZ       LYS   6  13.668  -8.400  -1.590
   60   3HZ   LYS   6          2HZ       LYS   6  14.767  -7.584  -2.492
   61    QB   LYS   6           QB       LYS   6  10.037  -6.114   0.474
   62    QG   LYS   6           QG       LYS   6  11.160  -4.787  -1.255
   63    QD   LYS   6           QD       LYS   6  12.422  -6.483  -0.010
   64    QE   LYS   6           QE       LYS   6  13.174  -6.044  -2.353
   65    QZ   LYS   6           QZ       LYS   6  14.397  -7.795  -1.647
   66    H    LEU   7           HN       LEU   7   6.653  -4.994  -0.796
   67    HA   LEU   7           HA       LEU   7   7.410  -4.492  -3.515
   68   1HB   LEU   7          2HB       LEU   7   4.701  -4.854  -2.200
   69   2HB   LEU   7          3HB       LEU   7   4.984  -4.803  -3.940
   70    HG   LEU   7           HG       LEU   7   6.457  -6.861  -2.311
   71   1HD1  LEU   7          3HD1      LEU   7   3.792  -6.900  -2.062
   72   2HD1  LEU   7          1HD1      LEU   7   3.878  -7.598  -3.683
   73   3HD1  LEU   7          2HD1      LEU   7   4.713  -8.395  -2.362
   74   1HD2  LEU   7          3HD2      LEU   7   5.384  -6.738  -5.163
   75   2HD2  LEU   7          1HD2      LEU   7   7.078  -6.464  -4.686
   76   3HD2  LEU   7          2HD2      LEU   7   6.328  -8.067  -4.452
   77    QB   LEU   7           QB       LEU   7   4.842  -4.829  -3.070
   78    QD1  LEU   7           QD1      LEU   7   4.128  -7.631  -2.703
   79    QD2  LEU   7           QD2      LEU   7   6.263  -7.089  -4.767
   80    QQD  LEU   7           QQD      LEU   7   5.196  -7.360  -3.735
   81    HA   PRO   8           HA       PRO   8   6.965  -0.151  -3.252
   82   1HB   PRO   8          2HB       PRO   8   7.127   0.620  -5.877
   83   2HB   PRO   8          3HB       PRO   8   8.422  -0.302  -5.071
   84   1HG   PRO   8          2HG       PRO   8   6.134  -1.428  -6.733
   85   2HG   PRO   8          3HG       PRO   8   7.889  -1.664  -7.002
   86   1HD   PRO   8          2HD       PRO   8   6.447  -3.486  -5.582
   87   2HD   PRO   8          3HD       PRO   8   8.093  -3.007  -5.062
   88    QB   PRO   8           QB       PRO   8   7.775   0.159  -5.474
   89    QG   PRO   8           QG       PRO   8   7.011  -1.546  -6.867
   90    QD   PRO   8           QD       PRO   8   7.270  -3.246  -5.322
   91    H    LEU   9           HN       LEU   9   5.878   1.788  -4.689
   92    HA   LEU   9           HA       LEU   9   3.176   1.800  -3.865
   93   1HB   LEU   9          2HB       LEU   9   4.541   3.827  -3.989
   94   2HB   LEU   9          3HB       LEU   9   4.629   3.710  -5.735
   95    HG   LEU   9           HG       LEU   9   2.347   4.211  -6.032
   96   1HD1  LEU   9          2HD1      LEU   9   1.855   3.705  -3.065
   97   2HD1  LEU   9          3HD1      LEU   9   0.712   4.470  -4.160
   98   3HD1  LEU   9          1HD1      LEU   9   1.177   2.794  -4.415
   99   1HD2  LEU   9          1HD2      LEU   9   3.717   6.143  -5.372
  100   2HD2  LEU   9          2HD2      LEU   9   2.022   6.335  -4.893
  101   3HD2  LEU   9          3HD2      LEU   9   3.240   5.902  -3.673
  102    QB   LEU   9           QB       LEU   9   4.585   3.768  -4.862
  103    QD1  LEU   9           QD1      LEU   9   1.248   3.657  -3.880
  104    QD2  LEU   9           QD2      LEU   9   2.993   6.127  -4.646
  105    QQD  LEU   9           QQD      LEU   9   2.120   4.892  -4.263
  106    NH1  ARG  10           NH2      ARG  10   2.754  -2.690 -11.666
  107    NH2  ARG  10           NH1      ARG  10   1.183  -4.337 -12.113
  108    H    ARG  10           HN       ARG  10   2.450  -0.081  -4.882
  109    HA   ARG  10           HA       ARG  10   1.978  -0.001  -7.744
  110   1HB   ARG  10          2HB       ARG  10   2.721  -1.937  -6.384
  111   2HB   ARG  10          3HB       ARG  10   1.121  -1.957  -5.598
  112   1HG   ARG  10          2HG       ARG  10   1.314  -3.694  -7.336
  113   2HG   ARG  10          3HG       ARG  10   0.094  -2.474  -7.696
  114   1HD   ARG  10          2HD       ARG  10   1.621  -1.415  -9.344
  115   2HD   ARG  10          3HD       ARG  10   2.889  -2.592  -8.893
  116    HE   ARG  10           HE       ARG  10   0.432  -3.874  -9.756
  117   1HH1  ARG  10          2HH2      ARG  10   3.155  -2.028 -11.019
  118   2HH1  ARG  10          1HH2      ARG  10   3.134  -2.743 -12.600
  119   1HH2  ARG  10          2HH1      ARG  10   0.423  -4.927 -11.799
  120   2HH2  ARG  10          1HH1      ARG  10   1.524  -4.450 -13.057
  121    QB   ARG  10           QB       ARG  10   1.921  -1.947  -5.991
  122    QG   ARG  10           QG       ARG  10   0.704  -3.084  -7.516
  123    QD   ARG  10           QD       ARG  10   2.255  -2.003  -9.118
  124    QH1  ARG  10           QH2      ARG  10   3.144  -2.385 -11.810
  125    QH2  ARG  10           QH1      ARG  10   0.974  -4.688 -12.428
  126    H    ILE  11           HN       ILE  11   0.733   2.011  -7.607
  127    HA   ILE  11           HA       ILE  11  -1.963   2.137  -6.648
  128    HB   ILE  11           HB       ILE  11  -0.764   3.341  -9.182
  129   1HG1  ILE  11          2HG1      ILE  11  -1.045   4.402  -6.338
  130   2HG1  ILE  11          3HG1      ILE  11   0.458   4.046  -7.201
  131   1HG2  ILE  11          2HG2      ILE  11  -3.263   3.306  -9.225
  132   2HG2  ILE  11          3HG2      ILE  11  -3.292   4.086  -7.642
  133   3HG2  ILE  11          1HG2      ILE  11  -2.659   4.942  -9.052
  134   1HD1  ILE  11          3HD1      ILE  11  -0.123   5.864  -8.843
  135   2HD1  ILE  11          1HD1      ILE  11  -1.479   6.312  -7.775
  136   3HD1  ILE  11          2HD1      ILE  11   0.178   6.412  -7.181
  137    QG1  ILE  11           QG1      ILE  11  -0.294   4.224  -6.769
  138    QG2  ILE  11           QG2      ILE  11  -3.072   4.111  -8.640
  139    QD1  ILE  11           QD1      ILE  11  -0.475   6.196  -7.933
  140    H    GLY  12           HN       GLY  12  -0.457   0.712  -9.506
  141   1HA   GLY  12          1HA       GLY  12  -1.128  -1.105 -10.745
  142   2HA   GLY  12          2HA       GLY  12  -2.723  -1.125  -9.979
  143    QA   GLY  12           QA       GLY  12  -1.926  -1.115 -10.362
  144    HA   PRO  13           HA       PRO  13  -2.187   1.131 -14.124
  145   1HB   PRO  13          2HB       PRO  13  -3.276  -0.563 -15.976
  146   2HB   PRO  13          3HB       PRO  13  -1.637  -0.774 -15.305
  147   1HG   PRO  13          2HG       PRO  13  -4.192  -2.117 -14.364
  148   2HG   PRO  13          3HG       PRO  13  -2.644  -2.904 -14.798
  149   1HD   PRO  13          2HD       PRO  13  -3.228  -2.325 -12.217
  150   2HD   PRO  13          3HD       PRO  13  -1.575  -2.064 -12.843
  151    QB   PRO  13           QB       PRO  13  -2.457  -0.669 -15.641
  152    QG   PRO  13           QG       PRO  13  -3.418  -2.511 -14.581
  153    QD   PRO  13           QD       PRO  13  -2.402  -2.195 -12.530
  154    H    CYS  14           HN       CYS  14  -5.119   0.292 -12.378
  155    HA   CYS  14           HA       CYS  14  -6.839   1.191 -14.593
  156   1HB   CYS  14          2HB       CYS  14  -7.133  -0.225 -12.025
  157   2HB   CYS  14          3HB       CYS  14  -8.466   0.785 -12.470
  158    QB   CYS  14           QB       CYS  14  -7.799   0.280 -12.247
  159    H    LYS  15           HN       LYS  15  -8.518   2.759 -14.069
  160    HA   LYS  15           HA       LYS  15  -7.207   5.189 -12.894
  161   1HB   LYS  15          2HB       LYS  15  -8.543   6.461 -14.506
  162   2HB   LYS  15          3HB       LYS  15  -7.357   5.390 -15.240
  163   1HG   LYS  15          2HG       LYS  15 -10.112   4.257 -14.887
  164   2HG   LYS  15          3HG       LYS  15  -9.984   5.587 -16.021
  165   1HD   LYS  15          2HD       LYS  15  -8.138   3.160 -16.195
  166   2HD   LYS  15          3HD       LYS  15  -9.738   3.215 -16.957
  167   1HE   LYS  15          2HE       LYS  15  -9.045   5.274 -18.219
  168   2HE   LYS  15          3HE       LYS  15  -7.426   5.146 -17.515
  169   1HZ   LYS  15          1HZ       LYS  15  -7.201   3.004 -18.586
  170   2HZ   LYS  15          2HZ       LYS  15  -8.704   3.140 -19.252
  171   3HZ   LYS  15          3HZ       LYS  15  -7.513   4.185 -19.684
  172    QB   LYS  15           QB       LYS  15  -7.950   5.925 -14.873
  173    QG   LYS  15           QG       LYS  15 -10.048   4.922 -15.454
  174    QD   LYS  15           QD       LYS  15  -8.938   3.188 -16.576
  175    QE   LYS  15           QE       LYS  15  -8.235   5.210 -17.867
  176    QZ   LYS  15           QZ       LYS  15  -7.806   3.443 -19.174
  177    NH1  ARG  16           NH2      ARG  16 -14.111   3.762 -11.631
  178    NH2  ARG  16           NH1      ARG  16 -14.292   5.700 -10.373
  179    H    ARG  16           HN       ARG  16  -8.382   3.516 -11.205
  180    HA   ARG  16           HA       ARG  16 -10.929   4.773 -10.341
  181   1HB   ARG  16          2HB       ARG  16  -9.461   2.231  -9.729
  182   2HB   ARG  16          3HB       ARG  16 -10.506   2.888  -8.470
  183   1HG   ARG  16          2HG       ARG  16 -11.596   2.462 -11.264
  184   2HG   ARG  16          3HG       ARG  16 -11.335   1.100 -10.172
  185   1HD   ARG  16          2HD       ARG  16 -13.627   1.765  -9.863
  186   2HD   ARG  16          3HD       ARG  16 -12.702   2.100  -8.418
  187    HE   ARG  16           HE       ARG  16 -13.152   4.321  -8.601
  188   1HH1  ARG  16          2HH2      ARG  16 -13.798   2.805 -11.704
  189   2HH1  ARG  16          1HH2      ARG  16 -14.583   4.182 -12.417
  190   1HH2  ARG  16          2HH1      ARG  16 -14.143   6.209  -9.512
  191   2HH2  ARG  16          1HH1      ARG  16 -14.756   6.177 -11.131
  192    QB   ARG  16           QB       ARG  16  -9.983   2.559  -9.099
  193    QG   ARG  16           QG       ARG  16 -11.465   1.781 -10.718
  194    QD   ARG  16           QD       ARG  16 -13.164   1.933  -9.140
  195    QH1  ARG  16           QH2      ARG  16 -14.191   3.493 -12.060
  196    QH2  ARG  16           QH1      ARG  16 -14.450   6.193 -10.322
  197    H    LYS  17           HN       LYS  17 -10.824   4.987  -7.832
  198    HA   LYS  17           HA       LYS  17  -8.301   6.054  -6.769
  199   1HB   LYS  17          2HB       LYS  17 -10.856   7.662  -7.240
  200   2HB   LYS  17          3HB       LYS  17  -9.676   8.123  -6.021
  201   1HG   LYS  17          2HG       LYS  17  -8.939   7.839  -8.970
  202   2HG   LYS  17          3HG       LYS  17  -9.566   9.326  -8.243
  203   1HD   LYS  17          2HD       LYS  17  -7.710   9.285  -6.569
  204   2HD   LYS  17          3HD       LYS  17  -7.070   7.826  -7.329
  205   1HE   LYS  17          2HE       LYS  17  -5.755   9.677  -8.037
  206   2HE   LYS  17          3HE       LYS  17  -6.667   9.073  -9.433
  207   1HZ   LYS  17          2HZ       LYS  17  -7.390  11.407  -7.772
  208   2HZ   LYS  17          3HZ       LYS  17  -6.673  11.487  -9.251
  209   3HZ   LYS  17          1HZ       LYS  17  -8.203  10.900  -9.113
  210    QB   LYS  17           QB       LYS  17 -10.266   7.892  -6.631
  211    QG   LYS  17           QG       LYS  17  -9.253   8.583  -8.606
  212    QD   LYS  17           QD       LYS  17  -7.390   8.556  -6.949
  213    QE   LYS  17           QE       LYS  17  -6.211   9.375  -8.735
  214    QZ   LYS  17           QZ       LYS  17  -7.422  11.264  -8.712
  215    H    ILE  18           HN       ILE  18  -8.348   4.415  -5.237
  216    HA   ILE  18           HA       ILE  18 -10.689   4.412  -3.379
  217    HB   ILE  18           HB       ILE  18  -8.946   2.056  -4.115
  218   1HG1  ILE  18          2HG1      ILE  18 -11.868   2.660  -4.770
  219   2HG1  ILE  18          3HG1      ILE  18 -10.519   2.675  -5.922
  220   1HG2  ILE  18          3HG2      ILE  18 -11.365   2.313  -2.263
  221   2HG2  ILE  18          1HG2      ILE  18 -10.540   0.794  -2.662
  222   3HG2  ILE  18          2HG2      ILE  18  -9.694   2.025  -1.740
  223   1HD1  ILE  18          2HD1      ILE  18 -10.079   0.249  -5.331
  224   2HD1  ILE  18          3HD1      ILE  18 -11.657   0.252  -4.506
  225   3HD1  ILE  18          1HD1      ILE  18 -11.562   0.590  -6.237
  226    QG1  ILE  18           QG1      ILE  18 -11.193   2.667  -5.346
  227    QG2  ILE  18           QG2      ILE  18 -10.533   1.711  -2.222
  228    QD1  ILE  18           QD1      ILE  18 -11.099   0.364  -5.358
  229    HA   PRO  19           HA       PRO  19  -7.130   6.121  -1.146
  230   1HB   PRO  19          2HB       PRO  19  -8.364   6.729   1.249
  231   2HB   PRO  19          3HB       PRO  19  -8.443   7.735  -0.226
  232   1HG   PRO  19          2HG       PRO  19 -10.457   5.686   0.723
  233   2HG   PRO  19          3HG       PRO  19 -10.772   7.356   0.163
  234   1HD   PRO  19          2HD       PRO  19 -11.090   5.249  -1.463
  235   2HD   PRO  19          3HD       PRO  19 -10.341   6.741  -2.117
  236    QB   PRO  19           QB       PRO  19  -8.403   7.232   0.511
  237    QG   PRO  19           QG       PRO  19 -10.614   6.521   0.443
  238    QD   PRO  19           QD       PRO  19 -10.715   5.995  -1.790
  239    H    SER  20           HN       SER  20  -5.594   4.858  -0.230
  240    HA   SER  20           HA       SER  20  -6.298   2.785   1.752
  241   1HB   SER  20          2HB       SER  20  -4.479   2.140  -0.603
  242   2HB   SER  20          3HB       SER  20  -5.125   1.039   0.617
  243    HG   SER  20           HG       SER  20  -6.742   2.472  -1.219
  244    QB   SER  20           QB       SER  20  -4.802   1.590   0.007
  245    H    PHE  21           HN       PHE  21  -4.097   1.820   2.452
  246    HA   PHE  21           HA       PHE  21  -1.927   3.837   2.541
  247   1HB   PHE  21          2HB       PHE  21  -2.925   2.059   4.798
  248   2HB   PHE  21          3HB       PHE  21  -1.443   3.005   4.850
  249    HD1  PHE  21          2HD       PHE  21  -5.157   3.230   4.705
  250    HD2  PHE  21          1HD       PHE  21  -1.491   5.422   5.206
  251    HE1  PHE  21          2HE       PHE  21  -6.421   5.104   5.714
  252    HE2  PHE  21          1HE       PHE  21  -2.751   7.308   6.215
  253    HZ   PHE  21           HZ       PHE  21  -5.215   7.140   6.496
  254    QB   PHE  21           QB       PHE  21  -2.184   2.532   4.824
  255    QR   PHE  21           QR       PHE  21  -3.955   5.266   5.460
  256    OH   TYR  22           OH       TYR  22   4.713   4.577  -1.741
  257    H    TYR  22           HN       TYR  22   0.163   2.922   2.321
  258    HA   TYR  22           HA       TYR  22   0.419  -0.005   2.268
  259   1HB   TYR  22          2HB       TYR  22   1.436  -0.094   0.234
  260   2HB   TYR  22          3HB       TYR  22   0.067   0.901  -0.170
  261    HD1  TYR  22           HD2      TYR  22   0.817   3.621   0.349
  262    HD2  TYR  22           HD1      TYR  22   3.352   0.341  -0.882
  263    HE1  TYR  22           HE2      TYR  22   2.460   5.220  -0.565
  264    HE2  TYR  22           HE1      TYR  22   4.983   1.940  -1.783
  265    HH   TYR  22           HH       TYR  22   5.432   4.136  -2.195
  266    QB   TYR  22           QB       TYR  22   0.751   0.404   0.032
  267    QR   TYR  22           QR       TYR  22   2.903   2.780  -0.720
  268    OH   TYR  23           OH       TYR  23   9.375   0.431   7.180
  269    H    TYR  23           HN       TYR  23   2.833  -0.510   2.185
  270    HA   TYR  23           HA       TYR  23   4.276   1.424   3.937
  271   1HB   TYR  23          2HB       TYR  23   3.976  -0.963   4.628
  272   2HB   TYR  23          3HB       TYR  23   5.019  -1.421   3.294
  273    HD1  TYR  23           HD1      TYR  23   7.398  -0.661   3.245
  274    HD2  TYR  23           HD2      TYR  23   4.893  -0.119   6.685
  275    HE1  TYR  23           HE1      TYR  23   9.398  -0.285   4.661
  276    HE2  TYR  23           HE2      TYR  23   6.870   0.440   8.059
  277    HH   TYR  23           HH       TYR  23   9.178   0.817   8.036
  278    QB   TYR  23           QB       TYR  23   4.497  -1.192   3.961
  279    QR   TYR  23           QR       TYR  23   7.140  -0.156   5.663
  280    H    LYS  24           HN       LYS  24   5.565   2.900   2.889
  281    HA   LYS  24           HA       LYS  24   6.530   2.205   0.168
  282   1HB   LYS  24          2HB       LYS  24   5.702   4.446   0.565
  283   2HB   LYS  24          3HB       LYS  24   6.914   4.741   1.802
  284   1HG   LYS  24          2HG       LYS  24   8.691   4.773   0.244
  285   2HG   LYS  24          3HG       LYS  24   7.827   3.780  -0.916
  286   1HD   LYS  24          2HD       LYS  24   7.222   5.498  -2.092
  287   2HD   LYS  24          3HD       LYS  24   6.319   6.198  -0.763
  288   1HE   LYS  24          2HE       LYS  24   9.329   6.650  -0.927
  289   2HE   LYS  24          3HE       LYS  24   8.263   7.476  -2.061
  290   1HZ   LYS  24          2HZ       LYS  24   7.033   8.397  -0.245
  291   2HZ   LYS  24          3HZ       LYS  24   8.019   7.681   0.855
  292   3HZ   LYS  24          1HZ       LYS  24   8.617   8.826  -0.169
  293    QB   LYS  24           QB       LYS  24   6.308   4.594   1.184
  294    QG   LYS  24           QG       LYS  24   8.259   4.277  -0.336
  295    QD   LYS  24           QD       LYS  24   6.770   5.848  -1.428
  296    QE   LYS  24           QE       LYS  24   8.796   7.063  -1.494
  297    QZ   LYS  24           QZ       LYS  24   7.890   8.301   0.147
  298    CH2  TRP  25           CH2      TRP  25  12.754  -4.420   3.859
  299    H    TRP  25           HN       TRP  25   7.846   0.413   0.706
  300    HA   TRP  25           HA       TRP  25   9.902   0.181   2.536
  301   1HB   TRP  25          2HB       TRP  25   9.179  -1.487   0.883
  302   2HB   TRP  25          3HB       TRP  25  10.010  -0.609  -0.395
  303    HD1  TRP  25           HD1      TRP  25  12.525  -1.079  -0.745
  304    HE1  TRP  25           HE1      TRP  25  14.312  -2.493   0.357
  305    HE3  TRP  25           HE3      TRP  25   9.783  -2.906   3.150
  306    HZ2  TRP  25           HZ2      TRP  25  14.563  -4.180   2.700
  307    HZ3  TRP  25           HZ3      TRP  25  10.793  -4.489   4.761
  308    HH2  TRP  25           HH2      TRP  25  13.201  -5.101   4.571
  309    QB   TRP  25           QB       TRP  25   9.595  -1.048   0.244
  310    H    LYS  26           HN       LYS  26   9.985   1.984  -0.515
  311    HA   LYS  26           HA       LYS  26  12.742   2.687  -0.392
  312   1HB   LYS  26          2HB       LYS  26  11.156   2.571  -2.353
  313   2HB   LYS  26          3HB       LYS  26  10.530   4.150  -1.878
  314   1HG   LYS  26          2HG       LYS  26  12.660   5.198  -2.268
  315   2HG   LYS  26          3HG       LYS  26  13.509   3.660  -2.402
  316   1HD   LYS  26          2HD       LYS  26  11.285   4.526  -4.304
  317   2HD   LYS  26          3HD       LYS  26  12.966   4.946  -4.598
  318   1HE   LYS  26          2HE       LYS  26  11.982   2.051  -4.334
  319   2HE   LYS  26          3HE       LYS  26  12.083   2.923  -5.861
  320   1HZ   LYS  26          3HZ       LYS  26  14.388   2.429  -4.101
  321   2HZ   LYS  26          1HZ       LYS  26  14.001   1.558  -5.440
  322   3HZ   LYS  26          2HZ       LYS  26  14.417   3.138  -5.589
  323    QB   LYS  26           QB       LYS  26  10.843   3.360  -2.115
  324    QG   LYS  26           QG       LYS  26  13.085   4.429  -2.335
  325    QD   LYS  26           QD       LYS  26  12.126   4.736  -4.451
  326    QE   LYS  26           QE       LYS  26  12.032   2.487  -5.097
  327    QZ   LYS  26           QZ       LYS  26  14.269   2.375  -5.044
  328    H    ALA  27           HN       ALA  27  10.211   3.802   1.569
  329    HA   ALA  27           HA       ALA  27  11.796   6.184   2.439
  330   1HB   ALA  27          2HB       ALA  27   9.611   6.806   1.596
  331   2HB   ALA  27          3HB       ALA  27   8.815   5.670   2.715
  332   3HB   ALA  27          1HB       ALA  27   9.711   7.072   3.343
  333    QB   ALA  27           QB       ALA  27   9.379   6.516   2.551
  334    H    LYS  28           HN       LYS  28  10.292   3.128   3.312
  335    HA   LYS  28           HA       LYS  28  10.464   1.765   5.057
  336   1HB   LYS  28          2HB       LYS  28  12.451   3.711   6.306
  337   2HB   LYS  28          3HB       LYS  28  12.005   2.147   6.935
  338   1HG   LYS  28          2HG       LYS  28  13.107   0.944   5.423
  339   2HG   LYS  28          3HG       LYS  28  12.804   2.022   4.087
  340   1HD   LYS  28          2HD       LYS  28  14.876   2.664   6.235
  341   2HD   LYS  28          3HD       LYS  28  15.198   1.676   4.823
  342   1HE   LYS  28          2HE       LYS  28  15.946   3.773   4.173
  343   2HE   LYS  28          3HE       LYS  28  14.416   3.577   3.319
  344   1HZ   LYS  28          2HZ       LYS  28  14.814   5.129   5.804
  345   2HZ   LYS  28          3HZ       LYS  28  14.685   5.760   4.295
  346   3HZ   LYS  28          1HZ       LYS  28  13.393   5.018   4.979
  347    QB   LYS  28           QB       LYS  28  12.228   2.929   6.620
  348    QG   LYS  28           QG       LYS  28  12.956   1.483   4.755
  349    QD   LYS  28           QD       LYS  28  15.037   2.170   5.529
  350    QE   LYS  28           QE       LYS  28  15.181   3.675   3.746
  351    QZ   LYS  28           QZ       LYS  28  14.297   5.302   5.026
  352    H    GLN  29           HN       GLN  29   8.178   3.166   4.789
  353    HA   GLN  29           HA       GLN  29   7.202   3.252   7.475
  354   1HB   GLN  29          2HB       GLN  29   6.424   5.637   7.391
  355   2HB   GLN  29          3HB       GLN  29   8.172   5.430   7.596
  356   1HG   GLN  29          2HG       GLN  29   8.465   5.876   5.136
  357   2HG   GLN  29          3HG       GLN  29   6.732   6.204   5.036
  358   1HE2  GLN  29          2HE2      GLN  29   9.314   8.957   6.637
  359   2HE2  GLN  29          1HE2      GLN  29   9.861   7.351   6.173
  360    QB   GLN  29           QB       GLN  29   7.298   5.533   7.493
  361    QG   GLN  29           QG       GLN  29   7.598   6.040   5.086
  362    QE2  GLN  29           QE2      GLN  29   9.588   8.154   6.405
  363    H    CYS  30           HN       CYS  30   4.884   3.708   7.586
  364    HA   CYS  30           HA       CYS  30   3.380   2.751   5.237
  365   1HB   CYS  30          2HB       CYS  30   2.540   3.498   8.031
  366   2HB   CYS  30          3HB       CYS  30   1.453   2.912   6.776
  367    QB   CYS  30           QB       CYS  30   1.997   3.205   7.404
  368    H    LEU  31           HN       LEU  31   2.165   4.069   3.921
  369    HA   LEU  31           HA       LEU  31   1.736   6.906   4.682
  370   1HB   LEU  31          2HB       LEU  31   2.778   5.892   2.004
  371   2HB   LEU  31          3HB       LEU  31   2.457   7.577   2.402
  372    HG   LEU  31           HG       LEU  31   4.718   5.850   3.528
  373   1HD1  LEU  31          1HD1      LEU  31   4.855   6.578   1.125
  374   2HD1  LEU  31          2HD1      LEU  31   4.727   8.262   1.668
  375   3HD1  LEU  31          3HD1      LEU  31   6.125   7.274   2.156
  376   1HD2  LEU  31          1HD2      LEU  31   3.928   8.753   4.073
  377   2HD2  LEU  31          2HD2      LEU  31   4.273   7.478   5.263
  378   3HD2  LEU  31          3HD2      LEU  31   5.575   8.141   4.276
  379    QB   LEU  31           QB       LEU  31   2.618   6.734   2.203
  380    QD1  LEU  31           QD1      LEU  31   5.236   7.371   1.650
  381    QD2  LEU  31           QD2      LEU  31   4.592   8.124   4.537
  382    QQD  LEU  31           QQD      LEU  31   4.914   7.748   3.094
  383    HA   PRO  32           HA       PRO  32  -2.221   6.112   2.626
  384   1HB   PRO  32          2HB       PRO  32  -3.052   8.643   2.079
  385   2HB   PRO  32          3HB       PRO  32  -2.953   8.038   3.753
  386   1HG   PRO  32          2HG       PRO  32  -0.858   9.642   2.245
  387   2HG   PRO  32          3HG       PRO  32  -1.558  10.017   3.847
  388   1HD   PRO  32          2HD       PRO  32   0.797   8.716   3.623
  389   2HD   PRO  32          3HD       PRO  32  -0.387   8.198   4.861
  390    QB   PRO  32           QB       PRO  32  -3.002   8.340   2.916
  391    QG   PRO  32           QG       PRO  32  -1.208   9.830   3.046
  392    QD   PRO  32           QD       PRO  32   0.205   8.457   4.242
  393    H    PHE  33           HN       PHE  33  -3.181   6.261   0.464
  394    HA   PHE  33           HA       PHE  33  -2.155   7.925  -1.596
  395   1HB   PHE  33          2HB       PHE  33  -1.154   6.357  -3.065
  396   2HB   PHE  33          3HB       PHE  33  -0.313   6.154  -1.548
  397    HD1  PHE  33          2HD       PHE  33  -1.579   4.282   0.094
  398    HD2  PHE  33          1HD       PHE  33  -1.655   4.399  -4.210
  399    HE1  PHE  33          2HE       PHE  33  -2.016   1.846   0.008
  400    HE2  PHE  33          1HE       PHE  33  -1.827   1.940  -4.276
  401    HZ   PHE  33           HZ       PHE  33  -1.927   0.652  -2.113
  402    QB   PHE  33           QB       PHE  33  -0.734   6.255  -2.306
  403    QR   PHE  33           QR       PHE  33  -1.769   3.117  -2.096
  404    H    ASP  34           HN       ASP  34  -3.217   6.934  -3.841
  405    HA   ASP  34           HA       ASP  34  -5.921   5.830  -3.193
  406   1HB   ASP  34          2HB       ASP  34  -4.884   7.637  -5.389
  407   2HB   ASP  34          3HB       ASP  34  -6.100   6.416  -5.769
  408    QB   ASP  34           QB       ASP  34  -5.492   7.026  -5.579
  409    OH   TYR  35           OH       TYR  35  -5.485  -3.785  -6.959
  410    H    TYR  35           HN       TYR  35  -6.103   3.728  -3.631
  411    HA   TYR  35           HA       TYR  35  -4.221   2.361  -5.455
  412   1HB   TYR  35          2HB       TYR  35  -5.030   1.222  -3.432
  413   2HB   TYR  35          3HB       TYR  35  -6.698   1.450  -3.938
  414    HD1  TYR  35           HD1      TYR  35  -3.694   0.220  -5.857
  415    HD2  TYR  35           HD2      TYR  35  -7.574  -0.736  -4.283
  416    HE1  TYR  35           HE1      TYR  35  -3.703  -1.869  -7.173
  417    HE2  TYR  35           HE2      TYR  35  -7.372  -3.025  -5.257
  418    HH   TYR  35           HH       TYR  35  -6.365  -4.152  -7.115
  419    QB   TYR  35           QB       TYR  35  -5.864   1.336  -3.685
  420    QR   TYR  35           QR       TYR  35  -5.586  -1.353  -5.642
  421    H    SER  36           HN       SER  36  -5.038   1.365  -7.442
  422    HA   SER  36           HA       SER  36  -7.356   2.735  -8.617
  423   1HB   SER  36          2HB       SER  36  -6.902   1.494 -10.558
  424   2HB   SER  36          3HB       SER  36  -5.393   2.219 -10.001
  425    HG   SER  36           HG       SER  36  -4.685   0.230  -9.346
  426    QB   SER  36           QB       SER  36  -6.147   1.857 -10.279
  427    H    GLY  37           HN       GLY  37  -6.576  -0.703  -8.517
  428   1HA   GLY  37          1HA       GLY  37  -8.676  -1.889  -7.036
  429   2HA   GLY  37          2HA       GLY  37  -9.361  -1.407  -8.592
  430    QA   GLY  37           QA       GLY  37  -9.019  -1.648  -7.814
  431    H    CYS  38           HN       CYS  38  -7.166  -1.664 -10.241
  432    HA   CYS  38           HA       CYS  38  -7.159  -4.584 -10.636
  433   1HB   CYS  38          2HB       CYS  38  -6.174  -2.363 -12.434
  434   2HB   CYS  38          3HB       CYS  38  -6.570  -4.013 -12.916
  435    QB   CYS  38           QB       CYS  38  -6.372  -3.188 -12.675
  436    H    GLY  39           HN       GLY  39  -5.214  -5.734 -10.959
  437   1HA   GLY  39          1HA       GLY  39  -3.005  -6.309 -10.790
  438   2HA   GLY  39          2HA       GLY  39  -2.751  -4.744 -11.565
  439    QA   GLY  39           QA       GLY  39  -2.878  -5.526 -11.178
  440    H    GLY  40           HN       GLY  40  -3.997  -4.907  -8.220
  441   1HA   GLY  40          1HA       GLY  40  -1.696  -3.469  -7.250
  442   2HA   GLY  40          2HA       GLY  40  -3.039  -4.003  -6.285
  443    QA   GLY  40           QA       GLY  40  -2.368  -3.736  -6.767
  444    H    ASN  41           HN       ASN  41  -0.313  -4.169  -5.597
  445    HA   ASN  41           HA       ASN  41   0.267  -7.063  -5.354
  446   1HB   ASN  41          2HB       ASN  41   2.250  -6.302  -4.119
  447   2HB   ASN  41          3HB       ASN  41   2.146  -5.605  -5.732
  448   1HD2  ASN  41          2HD2      ASN  41   3.066  -2.563  -4.210
  449   2HD2  ASN  41          1HD2      ASN  41   3.583  -3.944  -5.144
  450    QB   ASN  41           QB       ASN  41   2.198  -5.954  -4.926
  451    QD2  ASN  41           QD2      ASN  41   3.324  -3.253  -4.677
  452    H    ALA  42           HN       ALA  42   1.050  -7.540  -2.890
  453    HA   ALA  42           HA       ALA  42  -1.380  -7.433  -1.270
  454   1HB   ALA  42          3HB       ALA  42   1.410  -8.532  -0.726
  455   2HB   ALA  42          1HB       ALA  42   0.006  -8.751   0.331
  456   3HB   ALA  42          2HB       ALA  42   0.015  -9.457  -1.296
  457    QB   ALA  42           QB       ALA  42   0.477  -8.913  -0.564
  458    H    ASN  43           HN       ASN  43   1.169  -5.172  -1.629
  459    HA   ASN  43           HA       ASN  43   1.292  -4.420   1.185
  460   1HB   ASN  43          2HB       ASN  43   3.143  -4.183  -0.611
  461   2HB   ASN  43          3HB       ASN  43   2.274  -2.756  -1.171
  462   1HD2  ASN  43          2HD2      ASN  43   4.820  -1.443   1.077
  463   2HD2  ASN  43          1HD2      ASN  43   4.764  -2.284  -0.436
  464    QB   ASN  43           QB       ASN  43   2.709  -3.469  -0.891
  465    QD2  ASN  43           QD2      ASN  43   4.792  -1.863   0.321
  466    NH1  ARG  44           NH2      ARG  44  -2.165  -0.949  -4.014
  467    NH2  ARG  44           NH1      ARG  44  -1.527  -3.151  -3.898
  468    H    ARG  44           HN       ARG  44  -1.247  -4.315   1.189
  469    HA   ARG  44           HA       ARG  44  -2.027  -1.473   0.748
  470   1HB   ARG  44          2HB       ARG  44  -2.247  -2.901  -1.310
  471   2HB   ARG  44          3HB       ARG  44  -3.620  -3.713  -0.555
  472   1HG   ARG  44          2HG       ARG  44  -4.772  -1.511  -0.292
  473   2HG   ARG  44          3HG       ARG  44  -3.350  -0.691  -0.938
  474   1HD   ARG  44          2HD       ARG  44  -5.493  -2.170  -2.394
  475   2HD   ARG  44          3HD       ARG  44  -4.598  -0.734  -2.809
  476    HE   ARG  44           HE       ARG  44  -3.897  -3.556  -3.288
  477   1HH1  ARG  44          2HH2      ARG  44  -2.883  -0.260  -3.865
  478   2HH1  ARG  44          1HH2      ARG  44  -1.404  -0.724  -4.657
  479   1HH2  ARG  44          2HH1      ARG  44  -1.764  -4.114  -3.668
  480   2HH2  ARG  44          1HH1      ARG  44  -0.541  -2.918  -3.793
  481    QB   ARG  44           QB       ARG  44  -2.934  -3.307  -0.932
  482    QG   ARG  44           QG       ARG  44  -4.061  -1.101  -0.615
  483    QD   ARG  44           QD       ARG  44  -5.045  -1.452  -2.601
  484    QH1  ARG  44           QH2      ARG  44  -2.143  -0.492  -4.261
  485    QH2  ARG  44           QH1      ARG  44  -1.152  -3.516  -3.731
  486    H    PHE  45           HN       PHE  45  -3.207  -0.760   2.361
  487    HA   PHE  45           HA       PHE  45  -5.023  -2.546   3.939
  488   1HB   PHE  45          2HB       PHE  45  -2.939  -0.631   5.002
  489   2HB   PHE  45          3HB       PHE  45  -4.044  -1.617   5.936
  490    HD1  PHE  45          2HD       PHE  45  -3.939  -4.211   5.585
  491    HD2  PHE  45          1HD       PHE  45  -0.886  -1.585   4.085
  492    HE1  PHE  45          2HE       PHE  45  -2.447  -6.145   5.245
  493    HE2  PHE  45          1HE       PHE  45   0.625  -3.514   3.775
  494    HZ   PHE  45           HZ       PHE  45  -0.169  -5.816   4.348
  495    QB   PHE  45           QB       PHE  45  -3.491  -1.124   5.469
  496    QR   PHE  45           QR       PHE  45  -1.662  -3.864   4.672
  497    H    LYS  46           HN       LYS  46  -6.847  -1.642   4.553
  498    HA   LYS  46           HA       LYS  46  -7.708   0.843   3.379
  499   1HB   LYS  46          2HB       LYS  46  -9.710   0.515   4.830
  500   2HB   LYS  46          3HB       LYS  46  -9.361  -0.827   3.736
  501   1HG   LYS  46          2HG       LYS  46  -8.579  -2.238   5.507
  502   2HG   LYS  46          3HG       LYS  46  -8.413  -0.881   6.627
  503   1HD   LYS  46          2HD       LYS  46 -10.905  -0.543   6.502
  504   2HD   LYS  46          3HD       LYS  46 -11.014  -2.025   5.527
  505   1HE   LYS  46          2HE       LYS  46 -10.090  -3.359   7.375
  506   2HE   LYS  46          3HE       LYS  46  -9.738  -1.900   8.315
  507   1HZ   LYS  46          2HZ       LYS  46 -12.091  -1.478   8.453
  508   2HZ   LYS  46          3HZ       LYS  46 -12.434  -2.850   7.607
  509   3HZ   LYS  46          1HZ       LYS  46 -11.716  -2.945   9.085
  510    QB   LYS  46           QB       LYS  46  -9.535  -0.156   4.283
  511    QG   LYS  46           QG       LYS  46  -8.496  -1.559   6.067
  512    QD   LYS  46           QD       LYS  46 -10.960  -1.284   6.015
  513    QE   LYS  46           QE       LYS  46  -9.914  -2.629   7.845
  514    QZ   LYS  46           QZ       LYS  46 -12.080  -2.424   8.382
  515    H    THR  47           HN       THR  47  -6.056   0.041   6.349
  516    HA   THR  47           HA       THR  47  -6.520   2.780   7.486
  517    HB   THR  47           HB       THR  47  -6.024   1.549   9.650
  518    HG1  THR  47          1HG       THR  47  -6.535  -0.843   9.263
  519   1HG2  THR  47          2HG2      THR  47  -8.531   0.711   8.167
  520   2HG2  THR  47          3HG2      THR  47  -8.233   0.468   9.902
  521   3HG2  THR  47          1HG2      THR  47  -8.316   2.107   9.235
  522    QG2  THR  47           QG2      THR  47  -8.360   1.096   9.101
  523    H    ILE  48           HN       ILE  48  -4.678   3.669   8.541
  524    HA   ILE  48           HA       ILE  48  -2.027   2.742   7.654
  525    HB   ILE  48           HB       ILE  48  -2.659   5.199   8.279
  526   1HG1  ILE  48          2HG1      ILE  48  -0.480   5.477   9.727
  527   2HG1  ILE  48          3HG1      ILE  48  -0.227   3.757   9.387
  528   1HG2  ILE  48          2HG2      ILE  48  -3.885   4.645  10.347
  529   2HG2  ILE  48          3HG2      ILE  48  -2.347   4.181  11.123
  530   3HG2  ILE  48          1HG2      ILE  48  -2.614   5.848  10.580
  531   1HD1  ILE  48          1HD1      ILE  48  -0.380   4.290   6.937
  532   2HD1  ILE  48          2HD1      ILE  48  -0.598   6.008   7.366
  533   3HD1  ILE  48          3HD1      ILE  48   0.914   5.187   7.760
  534    QG1  ILE  48           QG1      ILE  48  -0.354   4.617   9.557
  535    QG2  ILE  48           QG2      ILE  48  -2.949   4.891  10.683
  536    QD1  ILE  48           QD1      ILE  48  -0.022   5.162   7.354
  537    H    GLU  49           HN       GLU  49  -4.186   2.254  10.472
  538    HA   GLU  49           HA       GLU  49  -2.212   1.056  12.039
  539   1HB   GLU  49          2HB       GLU  49  -5.235   0.519  11.825
  540   2HB   GLU  49          3HB       GLU  49  -4.205  -0.092  13.130
  541   1HG   GLU  49          2HG       GLU  49  -5.342   1.829  13.967
  542   2HG   GLU  49          3HG       GLU  49  -3.630   2.238  13.780
  543    QB   GLU  49           QB       GLU  49  -4.720   0.213  12.478
  544    QG   GLU  49           QG       GLU  49  -4.486   2.033  13.873
  545    H    GLU  50           HN       GLU  50  -4.309  -0.593   9.569
  546    HA   GLU  50           HA       GLU  50  -3.239  -3.164  10.316
  547   1HB   GLU  50          2HB       GLU  50  -4.747  -2.102   7.932
  548   2HB   GLU  50          3HB       GLU  50  -3.846  -3.597   7.767
  549   1HG   GLU  50          2HG       GLU  50  -6.196  -3.996   8.250
  550   2HG   GLU  50          3HG       GLU  50  -5.101  -4.724   9.411
  551    QB   GLU  50           QB       GLU  50  -4.296  -2.849   7.850
  552    QG   GLU  50           QG       GLU  50  -5.648  -4.360   8.830
  553    H    CYS  51           HN       CYS  51  -2.069  -0.615   8.038
  554    HA   CYS  51           HA       CYS  51   0.109  -2.240   7.074
  555   1HB   CYS  51          2HB       CYS  51  -0.531  -0.198   5.874
  556   2HB   CYS  51          3HB       CYS  51  -0.039   0.805   7.248
  557    QB   CYS  51           QB       CYS  51  -0.285   0.303   6.561
  558    NH1  ARG  52           NH2      ARG  52   1.590   5.521  14.079
  559    NH2  ARG  52           NH1      ARG  52   1.582   6.137  11.844
  560    H    ARG  52           HN       ARG  52  -0.069   0.224   9.691
  561    HA   ARG  52           HA       ARG  52   2.647   0.063  10.393
  562   1HB   ARG  52          2HB       ARG  52   0.947   1.816  10.992
  563   2HB   ARG  52          3HB       ARG  52   0.299   0.723  12.226
  564   1HG   ARG  52          2HG       ARG  52   2.460   0.693  13.387
  565   2HG   ARG  52          3HG       ARG  52   3.216   1.645  12.098
  566   1HD   ARG  52          2HD       ARG  52   0.932   2.602  13.882
  567   2HD   ARG  52          3HD       ARG  52   2.658   2.974  14.107
  568    HE   ARG  52           HE       ARG  52   1.777   3.663  11.449
  569   1HH1  ARG  52          2HH2      ARG  52   1.608   4.793  14.778
  570   2HH1  ARG  52          1HH2      ARG  52   1.510   6.480  14.381
  571   1HH2  ARG  52          2HH1      ARG  52   1.620   5.895  10.865
  572   2HH2  ARG  52          1HH1      ARG  52   1.491   7.111  12.089
  573    QB   ARG  52           QB       ARG  52   0.623   1.270  11.609
  574    QG   ARG  52           QG       ARG  52   2.838   1.169  12.742
  575    QD   ARG  52           QD       ARG  52   1.795   2.788  13.994
  576    QH1  ARG  52           QH2      ARG  52   1.559   5.637  14.579
  577    QH2  ARG  52           QH1      ARG  52   1.555   6.503  11.477
  578    NH1  ARG  53           NH2      ARG  53  -4.350  -5.402  11.843
  579    NH2  ARG  53           NH1      ARG  53  -5.135  -5.972  13.935
  580    H    ARG  53           HN       ARG  53  -0.152  -1.791  11.617
  581    HA   ARG  53           HA       ARG  53   1.421  -3.091  13.669
  582   1HB   ARG  53          2HB       ARG  53  -0.581  -4.160  14.285
  583   2HB   ARG  53          3HB       ARG  53  -1.081  -2.596  13.645
  584   1HG   ARG  53          2HG       ARG  53  -2.540  -3.755  12.484
  585   2HG   ARG  53          3HG       ARG  53  -1.215  -4.059  11.376
  586   1HD   ARG  53          2HD       ARG  53  -1.744  -6.282  11.653
  587   2HD   ARG  53          3HD       ARG  53  -0.780  -6.138  13.104
  588    HE   ARG  53           HE       ARG  53  -2.666  -6.502  14.356
  589   1HH1  ARG  53          2HH2      ARG  53  -3.583  -5.315  11.198
  590   2HH1  ARG  53          1HH2      ARG  53  -5.192  -4.856  11.636
  591   1HH2  ARG  53          2HH1      ARG  53  -4.991  -6.296  14.879
  592   2HH2  ARG  53          1HH1      ARG  53  -6.063  -5.700  13.642
  593    QB   ARG  53           QB       ARG  53  -0.831  -3.378  13.965
  594    QG   ARG  53           QG       ARG  53  -1.877  -3.907  11.930
  595    QD   ARG  53           QD       ARG  53  -1.262  -6.210  12.378
  596    QH1  ARG  53           QH2      ARG  53  -4.387  -5.086  11.417
  597    QH2  ARG  53           QH1      ARG  53  -5.527  -5.998  14.260
  598    H    THR  54           HN       THR  54   1.033  -3.679  10.257
  599    HA   THR  54           HA       THR  54   1.796  -6.521  10.437
  600    HB   THR  54           HB       THR  54   1.393  -4.644   8.068
  601    HG1  THR  54          1HG       THR  54  -0.533  -5.110   8.936
  602   1HG2  THR  54          2HG2      THR  54   1.830  -7.657   8.127
  603   2HG2  THR  54          3HG2      THR  54   1.354  -6.675   6.730
  604   3HG2  THR  54          1HG2      THR  54   2.959  -6.457   7.439
  605    QG2  THR  54           QG2      THR  54   2.047  -6.930   7.432
  606    H    CYS  55           HN       CYS  55   3.223  -3.438   9.177
  607    HA   CYS  55           HA       CYS  55   5.739  -4.877   8.661
  608   1HB   CYS  55          2HB       CYS  55   4.863  -2.049   8.160
  609   2HB   CYS  55          3HB       CYS  55   6.518  -2.598   7.906
  610    QB   CYS  55           QB       CYS  55   5.690  -2.323   8.033
  611    H    VAL  56           HN       VAL  56   4.446  -2.673  11.095
  612    HA   VAL  56           HA       VAL  56   7.081  -2.393  12.444
  613    HB   VAL  56           HB       VAL  56   4.726  -0.459  12.579
  614   1HG1  VAL  56          1HG1      VAL  56   7.631  -0.167  13.348
  615   2HG1  VAL  56          2HG1      VAL  56   6.486   1.185  13.208
  616   3HG1  VAL  56          3HG1      VAL  56   6.196  -0.062  14.402
  617   1HG2  VAL  56          2HG2      VAL  56   7.084  -0.335  10.668
  618   2HG2  VAL  56          3HG2      VAL  56   5.365  -0.468  10.223
  619   3HG2  VAL  56          1HG2      VAL  56   5.954   1.001  10.984
  620    QG1  VAL  56           QG1      VAL  56   6.771   0.319  13.653
  621    QG2  VAL  56           QG2      VAL  56   6.134   0.066  10.625
  622    QQG  VAL  56           QQG      VAL  56   6.453   0.192  12.139
  623    H    GLY  57           HN       GLY  57   6.649  -1.995  14.871
  624   1HA   GLY  57          1HA       GLY  57   5.318  -2.340  16.829
  625   2HA   GLY  57          2HA       GLY  57   4.360  -3.566  15.977
  626    QA   GLY  57           QA       GLY  57   4.839  -2.953  16.403
   
  Start of MODEL          11
 Raw file had  626 H/Q atoms
  Start of MODEL   11
    1    H    ALA   1           HN       ALA   1   5.604  -7.132  10.007
    2    HA   ALA   1           HA       ALA   1   6.815  -6.409   7.973
    3   1HB   ALA   1          1HB       ALA   1   8.880  -6.034   9.075
    4   2HB   ALA   1          2HB       ALA   1   9.136  -7.794   9.212
    5   3HB   ALA   1          3HB       ALA   1   9.052  -7.012   7.604
    6    QB   ALA   1           QB       ALA   1   9.023  -6.947   8.631
    7    H    ALA   2           HN       ALA   2   6.682  -7.514   6.104
    8    HA   ALA   2           HA       ALA   2   6.516 -10.410   5.965
    9   1HB   ALA   2          3HB       ALA   2   4.204  -9.689   6.748
   10   2HB   ALA   2          1HB       ALA   2   4.119  -8.610   5.347
   11   3HB   ALA   2          2HB       ALA   2   4.210 -10.368   5.111
   12    QB   ALA   2           QB       ALA   2   4.177  -9.556   5.736
   13    H    LYS   3           HN       LYS   3   6.564 -10.966   3.596
   14    HA   LYS   3           HA       LYS   3   8.605  -9.381   2.585
   15   1HB   LYS   3          2HB       LYS   3   7.179 -11.788   1.730
   16   2HB   LYS   3          3HB       LYS   3   7.611 -10.838   0.324
   17   1HG   LYS   3          2HG       LYS   3   9.898 -11.141   0.573
   18   2HG   LYS   3          3HG       LYS   3   9.787 -11.169   2.337
   19   1HD   LYS   3          2HD       LYS   3   8.499 -13.464   1.958
   20   2HD   LYS   3          3HD       LYS   3   9.395 -13.457   0.433
   21   1HE   LYS   3          2HE       LYS   3  11.527 -13.232   1.757
   22   2HE   LYS   3          3HE       LYS   3  10.581 -13.157   3.255
   23   1HZ   LYS   3          2HZ       LYS   3   9.804 -15.387   2.823
   24   2HZ   LYS   3          3HZ       LYS   3  10.728 -15.487   1.464
   25   3HZ   LYS   3          1HZ       LYS   3  11.438 -15.324   2.936
   26    QB   LYS   3           QB       LYS   3   7.395 -11.313   1.027
   27    QG   LYS   3           QG       LYS   3   9.843 -11.155   1.455
   28    QD   LYS   3           QD       LYS   3   8.947 -13.461   1.196
   29    QE   LYS   3           QE       LYS   3  11.054 -13.195   2.506
   30    QZ   LYS   3           QZ       LYS   3  10.656 -15.399   2.407
   31    OH   TYR   4           OH       TYR   4   1.055  -8.974   5.433
   32    H    TYR   4           HN       TYR   4   5.225  -9.343   1.717
   33    HA   TYR   4           HA       TYR   4   5.416  -7.701  -0.546
   34   1HB   TYR   4          2HB       TYR   4   3.072  -7.101  -0.072
   35   2HB   TYR   4          3HB       TYR   4   3.445  -8.825  -0.195
   36    HD1  TYR   4           HD2      TYR   4   2.882  -6.141   2.396
   37    HD2  TYR   4           HD1      TYR   4   2.651 -10.334   1.401
   38    HE1  TYR   4           HE2      TYR   4   1.870  -6.629   4.602
   39    HE2  TYR   4           HE1      TYR   4   1.532 -10.784   3.553
   40    HH   TYR   4           HH       TYR   4   0.762  -9.881   5.544
   41    QB   TYR   4           QB       TYR   4   3.259  -7.963  -0.134
   42    QR   TYR   4           QR       TYR   4   2.234  -8.472   2.988
   43    H    CYS   5           HN       CYS   5   5.748  -6.868   2.824
   44    HA   CYS   5           HA       CYS   5   5.143  -4.109   2.785
   45   1HB   CYS   5          2HB       CYS   5   5.734  -5.460   4.774
   46   2HB   CYS   5          3HB       CYS   5   7.433  -5.454   4.276
   47    QB   CYS   5           QB       CYS   5   6.583  -5.457   4.525
   48    H    LYS   6           HN       LYS   6   7.947  -5.874   1.493
   49    HA   LYS   6           HA       LYS   6   9.540  -3.562   0.988
   50   1HB   LYS   6          2HB       LYS   6  10.327  -5.884   1.422
   51   2HB   LYS   6          3HB       LYS   6   9.760  -6.351  -0.199
   52   1HG   LYS   6          2HG       LYS   6  11.291  -4.797  -1.241
   53   2HG   LYS   6          3HG       LYS   6  11.548  -3.978   0.296
   54   1HD   LYS   6          2HD       LYS   6  13.495  -5.045   0.302
   55   2HD   LYS   6          3HD       LYS   6  12.560  -6.302   1.093
   56   1HE   LYS   6          2HE       LYS   6  13.328  -6.101  -1.877
   57   2HE   LYS   6          3HE       LYS   6  14.028  -7.211  -0.692
   58   1HZ   LYS   6          3HZ       LYS   6  11.225  -7.226  -1.596
   59   2HZ   LYS   6          1HZ       LYS   6  12.396  -8.281  -2.075
   60   3HZ   LYS   6          2HZ       LYS   6  11.886  -8.271  -0.507
   61    QB   LYS   6           QB       LYS   6  10.044  -6.118   0.612
   62    QG   LYS   6           QG       LYS   6  11.419  -4.388  -0.472
   63    QD   LYS   6           QD       LYS   6  13.028  -5.674   0.697
   64    QE   LYS   6           QE       LYS   6  13.678  -6.656  -1.285
   65    QZ   LYS   6           QZ       LYS   6  11.835  -7.926  -1.393
   66    H    LEU   7           HN       LEU   7   6.747  -4.828  -0.741
   67    HA   LEU   7           HA       LEU   7   7.655  -4.152  -3.377
   68   1HB   LEU   7          2HB       LEU   7   4.849  -4.276  -2.244
   69   2HB   LEU   7          3HB       LEU   7   5.278  -4.282  -3.947
   70    HG   LEU   7           HG       LEU   7   6.312  -6.483  -2.136
   71   1HD1  LEU   7          1HD1      LEU   7   3.780  -6.276  -1.928
   72   2HD1  LEU   7          2HD1      LEU   7   3.697  -6.500  -3.673
   73   3HD1  LEU   7          3HD1      LEU   7   4.327  -7.808  -2.659
   74   1HD2  LEU   7          3HD2      LEU   7   7.222  -6.307  -4.442
   75   2HD2  LEU   7          1HD2      LEU   7   6.251  -7.781  -4.201
   76   3HD2  LEU   7          2HD2      LEU   7   5.559  -6.403  -5.081
   77    QB   LEU   7           QB       LEU   7   5.063  -4.279  -3.096
   78    QD1  LEU   7           QD1      LEU   7   3.935  -6.861  -2.753
   79    QD2  LEU   7           QD2      LEU   7   6.344  -6.830  -4.575
   80    QQD  LEU   7           QQD      LEU   7   5.139  -6.846  -3.664
   81    HA   PRO   8           HA       PRO   8   7.229   0.239  -2.817
   82   1HB   PRO   8          2HB       PRO   8   7.439   1.187  -5.356
   83   2HB   PRO   8          3HB       PRO   8   8.737   0.206  -4.623
   84   1HG   PRO   8          2HG       PRO   8   6.486  -0.779  -6.410
   85   2HG   PRO   8          3HG       PRO   8   8.243  -1.016  -6.651
   86   1HD   PRO   8          2HD       PRO   8   6.663  -2.881  -5.399
   87   2HD   PRO   8          3HD       PRO   8   8.358  -2.584  -4.885
   88    QB   PRO   8           QB       PRO   8   8.088   0.697  -4.989
   89    QG   PRO   8           QG       PRO   8   7.364  -0.897  -6.531
   90    QD   PRO   8           QD       PRO   8   7.510  -2.733  -5.142
   91    H    LEU   9           HN       LEU   9   6.015   2.191  -4.055
   92    HA   LEU   9           HA       LEU   9   3.258   2.046  -3.511
   93   1HB   LEU   9          2HB       LEU   9   4.512   4.162  -3.633
   94   2HB   LEU   9          3HB       LEU   9   4.823   3.915  -5.343
   95    HG   LEU   9           HG       LEU   9   2.519   4.196  -5.932
   96   1HD1  LEU   9          2HD1      LEU   9   1.871   4.233  -2.957
   97   2HD1  LEU   9          3HD1      LEU   9   0.774   4.759  -4.223
   98   3HD1  LEU   9          1HD1      LEU   9   1.288   3.072  -4.148
   99   1HD2  LEU   9          2HD2      LEU   9   3.832   6.234  -5.565
  100   2HD2  LEU   9          3HD2      LEU   9   2.120   6.499  -5.190
  101   3HD2  LEU   9          1HD2      LEU   9   3.292   6.295  -3.873
  102    QB   LEU   9           QB       LEU   9   4.667   4.038  -4.488
  103    QD1  LEU   9           QD1      LEU   9   1.311   4.021  -3.776
  104    QD2  LEU   9           QD2      LEU   9   3.082   6.343  -4.876
  105    QQD  LEU   9           QQD      LEU   9   2.196   5.182  -4.326
  106    NH1  ARG  10           NH2      ARG  10   2.545  -3.008 -11.257
  107    NH2  ARG  10           NH1      ARG  10   0.492  -4.054 -11.560
  108    H    ARG  10           HN       ARG  10   1.911   0.705  -4.494
  109    HA   ARG  10           HA       ARG  10   2.162   0.245  -7.429
  110   1HB   ARG  10          2HB       ARG  10   2.686  -1.624  -5.934
  111   2HB   ARG  10          3HB       ARG  10   1.083  -1.487  -5.195
  112   1HG   ARG  10          2HG       ARG  10   1.085  -3.307  -6.845
  113   2HG   ARG  10          3HG       ARG  10   0.021  -1.999  -7.334
  114   1HD   ARG  10          2HD       ARG  10   1.795  -1.227  -8.960
  115   2HD   ARG  10          3HD       ARG  10   2.745  -2.651  -8.476
  116    HE   ARG  10           HE       ARG  10   0.008  -3.308  -9.296
  117   1HH1  ARG  10          2HH2      ARG  10   3.163  -2.469 -10.670
  118   2HH1  ARG  10          1HH2      ARG  10   2.849  -3.252 -12.188
  119   1HH2  ARG  10          2HH1      ARG  10  -0.428  -4.253 -11.160
  120   2HH2  ARG  10          1HH1      ARG  10   0.718  -4.374 -12.489
  121    QB   ARG  10           QB       ARG  10   1.884  -1.556  -5.565
  122    QG   ARG  10           QG       ARG  10   0.553  -2.653  -7.090
  123    QD   ARG  10           QD       ARG  10   2.270  -1.939  -8.718
  124    QH1  ARG  10           QH2      ARG  10   3.006  -2.861 -11.429
  125    QH2  ARG  10           QH1      ARG  10   0.145  -4.314 -11.825
  126    H    ILE  11           HN       ILE  11   0.977   2.243  -7.664
  127    HA   ILE  11           HA       ILE  11  -1.717   2.601  -6.839
  128    HB   ILE  11           HB       ILE  11  -0.429   3.594  -9.417
  129   1HG1  ILE  11          2HG1      ILE  11  -0.251   4.490  -6.515
  130   2HG1  ILE  11          3HG1      ILE  11   1.050   4.239  -7.696
  131   1HG2  ILE  11          2HG2      ILE  11  -2.783   4.589  -7.753
  132   2HG2  ILE  11          3HG2      ILE  11  -2.103   5.448  -9.142
  133   3HG2  ILE  11          1HG2      ILE  11  -2.864   3.882  -9.372
  134   1HD1  ILE  11          2HD1      ILE  11   0.187   6.247  -8.948
  135   2HD1  ILE  11          3HD1      ILE  11  -0.887   6.552  -7.550
  136   3HD1  ILE  11          1HD1      ILE  11   0.868   6.564  -7.338
  137    QG1  ILE  11           QG1      ILE  11   0.400   4.365  -7.105
  138    QG2  ILE  11           QG2      ILE  11  -2.583   4.639  -8.756
  139    QD1  ILE  11           QD1      ILE  11   0.056   6.454  -7.946
  140    H    GLY  12           HN       GLY  12  -0.330   0.933  -9.675
  141   1HA   GLY  12          1HA       GLY  12  -1.106  -0.959 -10.666
  142   2HA   GLY  12          2HA       GLY  12  -2.644  -0.917  -9.803
  143    QA   GLY  12           QA       GLY  12  -1.875  -0.938 -10.234
  144    HA   PRO  13           HA       PRO  13  -2.702   1.139 -14.101
  145   1HB   PRO  13          2HB       PRO  13  -2.888  -0.813 -15.960
  146   2HB   PRO  13          3HB       PRO  13  -1.371  -0.599 -15.050
  147   1HG   PRO  13          2HG       PRO  13  -3.634  -2.518 -14.358
  148   2HG   PRO  13          3HG       PRO  13  -1.912  -2.930 -14.644
  149   1HD   PRO  13          2HD       PRO  13  -2.838  -2.427 -12.113
  150   2HD   PRO  13          3HD       PRO  13  -1.232  -1.874 -12.654
  151    QB   PRO  13           QB       PRO  13  -2.129  -0.706 -15.505
  152    QG   PRO  13           QG       PRO  13  -2.773  -2.724 -14.501
  153    QD   PRO  13           QD       PRO  13  -2.035  -2.151 -12.383
  154    H    CYS  14           HN       CYS  14  -5.054   0.562 -12.219
  155    HA   CYS  14           HA       CYS  14  -7.176  -0.265 -14.056
  156   1HB   CYS  14          2HB       CYS  14  -6.947  -0.201 -11.353
  157   2HB   CYS  14          3HB       CYS  14  -8.010   1.190 -11.615
  158    QB   CYS  14           QB       CYS  14  -7.478   0.494 -11.484
  159    H    LYS  15           HN       LYS  15  -9.227   1.460 -13.796
  160    HA   LYS  15           HA       LYS  15  -8.266   4.224 -14.288
  161   1HB   LYS  15          2HB       LYS  15 -10.034   2.628 -16.173
  162   2HB   LYS  15          3HB       LYS  15 -10.266   4.359 -15.962
  163   1HG   LYS  15          2HG       LYS  15  -8.703   4.837 -17.372
  164   2HG   LYS  15          3HG       LYS  15  -7.470   4.144 -16.348
  165   1HD   LYS  15          2HD       LYS  15  -9.119   2.632 -18.438
  166   2HD   LYS  15          3HD       LYS  15  -7.540   3.342 -18.753
  167   1HE   LYS  15          2HE       LYS  15  -8.108   1.123 -16.732
  168   2HE   LYS  15          3HE       LYS  15  -7.413   0.893 -18.337
  169   1HZ   LYS  15          2HZ       LYS  15  -5.511   2.228 -17.640
  170   2HZ   LYS  15          3HZ       LYS  15  -6.172   2.413 -16.134
  171   3HZ   LYS  15          1HZ       LYS  15  -5.722   0.941 -16.622
  172    QB   LYS  15           QB       LYS  15 -10.150   3.494 -16.068
  173    QG   LYS  15           QG       LYS  15  -8.087   4.490 -16.860
  174    QD   LYS  15           QD       LYS  15  -8.329   2.987 -18.596
  175    QE   LYS  15           QE       LYS  15  -7.761   1.008 -17.535
  176    QZ   LYS  15           QZ       LYS  15  -5.802   1.861 -16.799
  177    NH1  ARG  16           NH2      ARG  16 -15.516   4.711  -8.532
  178    NH2  ARG  16           NH1      ARG  16 -16.792   2.800  -8.853
  179    H    ARG  16           HN       ARG  16  -8.681   3.471 -11.974
  180    HA   ARG  16           HA       ARG  16 -11.058   4.870 -11.063
  181   1HB   ARG  16          2HB       ARG  16 -10.355   1.960 -10.598
  182   2HB   ARG  16          3HB       ARG  16 -10.939   2.851  -9.211
  183   1HG   ARG  16          2HG       ARG  16 -12.501   2.772 -11.810
  184   2HG   ARG  16          3HG       ARG  16 -12.589   1.574 -10.519
  185   1HD   ARG  16          2HD       ARG  16 -12.885   3.795  -8.981
  186   2HD   ARG  16          3HD       ARG  16 -13.468   4.468 -10.521
  187    HE   ARG  16           HE       ARG  16 -14.706   1.944  -9.986
  188   1HH1  ARG  16          2HH2      ARG  16 -14.645   5.204  -8.664
  189   2HH1  ARG  16          1HH2      ARG  16 -16.254   5.165  -8.014
  190   1HH2  ARG  16          2HH1      ARG  16 -16.903   1.873  -9.240
  191   2HH2  ARG  16          1HH1      ARG  16 -17.567   3.202  -8.348
  192    QB   ARG  16           QB       ARG  16 -10.647   2.406  -9.905
  193    QG   ARG  16           QG       ARG  16 -12.545   2.173 -11.165
  194    QD   ARG  16           QD       ARG  16 -13.176   4.132  -9.751
  195    QH1  ARG  16           QH2      ARG  16 -15.450   5.185  -8.339
  196    QH2  ARG  16           QH1      ARG  16 -17.235   2.538  -8.794
  197    H    LYS  17           HN       LYS  17 -10.652   4.926  -8.520
  198    HA   LYS  17           HA       LYS  17  -7.941   5.000  -7.574
  199   1HB   LYS  17          2HB       LYS  17  -7.831   7.206  -7.038
  200   2HB   LYS  17          3HB       LYS  17  -7.937   7.106  -8.792
  201   1HG   LYS  17          2HG       LYS  17 -10.300   7.879  -8.725
  202   2HG   LYS  17          3HG       LYS  17 -10.224   7.965  -6.959
  203   1HD   LYS  17          2HD       LYS  17  -8.652   9.712  -8.922
  204   2HD   LYS  17          3HD       LYS  17  -9.938  10.210  -7.791
  205   1HE   LYS  17          2HE       LYS  17  -8.497   9.174  -5.941
  206   2HE   LYS  17          3HE       LYS  17  -7.142   9.146  -7.129
  207   1HZ   LYS  17          2HZ       LYS  17  -8.408  11.495  -5.994
  208   2HZ   LYS  17          3HZ       LYS  17  -6.968  10.733  -5.652
  209   3HZ   LYS  17          1HZ       LYS  17  -7.171  11.496  -7.121
  210    QB   LYS  17           QB       LYS  17  -7.884   7.156  -7.915
  211    QG   LYS  17           QG       LYS  17 -10.262   7.922  -7.842
  212    QD   LYS  17           QD       LYS  17  -9.295   9.961  -8.356
  213    QE   LYS  17           QE       LYS  17  -7.820   9.160  -6.535
  214    QZ   LYS  17           QZ       LYS  17  -7.516  11.241  -6.256
  215    H    ILE  18           HN       ILE  18  -8.158   4.375  -5.501
  216    HA   ILE  18           HA       ILE  18 -10.597   4.872  -3.941
  217    HB   ILE  18           HB       ILE  18  -9.235   2.168  -4.317
  218   1HG1  ILE  18          2HG1      ILE  18 -11.942   3.134  -5.337
  219   2HG1  ILE  18          3HG1      ILE  18 -10.524   2.739  -6.321
  220   1HG2  ILE  18          2HG2      ILE  18 -10.188   2.595  -2.020
  221   2HG2  ILE  18          3HG2      ILE  18 -11.776   2.855  -2.772
  222   3HG2  ILE  18          1HG2      ILE  18 -10.970   1.270  -2.871
  223   1HD1  ILE  18          1HD1      ILE  18 -10.583   0.399  -5.483
  224   2HD1  ILE  18          2HD1      ILE  18 -12.158   0.762  -4.729
  225   3HD1  ILE  18          3HD1      ILE  18 -11.962   0.885  -6.487
  226    QG1  ILE  18           QG1      ILE  18 -11.233   2.937  -5.829
  227    QG2  ILE  18           QG2      ILE  18 -10.978   2.240  -2.554
  228    QD1  ILE  18           QD1      ILE  18 -11.568   0.682  -5.566
  229    HA   PRO  19           HA       PRO  19  -6.984   5.919  -1.430
  230   1HB   PRO  19          2HB       PRO  19  -8.156   6.506   0.977
  231   2HB   PRO  19          3HB       PRO  19  -8.133   7.590  -0.445
  232   1HG   PRO  19          2HG       PRO  19 -10.341   5.699   0.400
  233   2HG   PRO  19          3HG       PRO  19 -10.496   7.421  -0.067
  234   1HD   PRO  19          2HD       PRO  19 -10.997   5.440  -1.838
  235   2HD   PRO  19          3HD       PRO  19 -10.118   6.906  -2.375
  236    QB   PRO  19           QB       PRO  19  -8.144   7.048   0.266
  237    QG   PRO  19           QG       PRO  19 -10.418   6.560   0.166
  238    QD   PRO  19           QD       PRO  19 -10.558   6.173  -2.106
  239    H    SER  20           HN       SER  20  -5.566   4.670  -0.292
  240    HA   SER  20           HA       SER  20  -6.444   2.652   1.640
  241   1HB   SER  20          2HB       SER  20  -4.561   1.951  -0.662
  242   2HB   SER  20          3HB       SER  20  -5.060   0.871   0.656
  243    HG   SER  20           HG       SER  20  -6.825   2.036  -1.208
  244    QB   SER  20           QB       SER  20  -4.811   1.411  -0.003
  245    H    PHE  21           HN       PHE  21  -4.253   1.709   2.555
  246    HA   PHE  21           HA       PHE  21  -2.083   3.749   2.520
  247   1HB   PHE  21          2HB       PHE  21  -2.822   1.864   4.791
  248   2HB   PHE  21          3HB       PHE  21  -1.405   2.905   4.757
  249    HD1  PHE  21          2HD       PHE  21  -5.130   2.895   4.853
  250    HD2  PHE  21          1HD       PHE  21  -1.559   5.263   5.312
  251    HE1  PHE  21          2HE       PHE  21  -6.482   4.752   5.769
  252    HE2  PHE  21          1HE       PHE  21  -2.924   7.153   6.156
  253    HZ   PHE  21           HZ       PHE  21  -5.383   6.894   6.411
  254    QB   PHE  21           QB       PHE  21  -2.113   2.385   4.774
  255    QR   PHE  21           QR       PHE  21  -4.024   5.016   5.522
  256    OH   TYR  22           OH       TYR  22   4.296   5.314  -1.453
  257    H    TYR  22           HN       TYR  22   0.078   2.862   2.446
  258    HA   TYR  22           HA       TYR  22   0.393  -0.037   2.123
  259   1HB   TYR  22          2HB       TYR  22   1.623   0.121   0.175
  260   2HB   TYR  22          3HB       TYR  22   0.180   1.018  -0.241
  261    HD1  TYR  22           HD2      TYR  22   0.523   3.718   0.462
  262    HD2  TYR  22           HD1      TYR  22   3.590   0.892  -0.680
  263    HE1  TYR  22           HE2      TYR  22   1.947   5.569  -0.288
  264    HE2  TYR  22           HE1      TYR  22   4.976   2.757  -1.514
  265    HH   TYR  22           HH       TYR  22   3.787   6.128  -1.459
  266    QB   TYR  22           QB       TYR  22   0.902   0.570  -0.033
  267    QR   TYR  22           QR       TYR  22   2.759   3.234  -0.505
  268    OH   TYR  23           OH       TYR  23   9.516  -0.152   7.154
  269    H    TYR  23           HN       TYR  23   2.864  -0.436   2.158
  270    HA   TYR  23           HA       TYR  23   4.222   1.545   3.947
  271   1HB   TYR  23          2HB       TYR  23   3.970  -0.800   4.754
  272   2HB   TYR  23          3HB       TYR  23   4.948  -1.331   3.404
  273    HD1  TYR  23           HD1      TYR  23   7.327  -0.572   3.213
  274    HD2  TYR  23           HD2      TYR  23   5.010  -0.105   6.790
  275    HE1  TYR  23           HE1      TYR  23   9.369  -0.733   4.615
  276    HE2  TYR  23           HE2      TYR  23   7.078   0.206   8.090
  277    HH   TYR  23           HH       TYR  23   9.512   0.626   7.730
  278    QB   TYR  23           QB       TYR  23   4.459  -1.065   4.079
  279    QR   TYR  23           QR       TYR  23   7.196  -0.301   5.677
  280    H    LYS  24           HN       LYS  24   5.466   3.013   2.826
  281    HA   LYS  24           HA       LYS  24   6.528   2.194   0.165
  282   1HB   LYS  24          2HB       LYS  24   5.712   4.521   0.577
  283   2HB   LYS  24          3HB       LYS  24   7.074   4.765   1.677
  284   1HG   LYS  24          2HG       LYS  24   8.518   3.927  -0.368
  285   2HG   LYS  24          3HG       LYS  24   7.075   4.249  -1.332
  286   1HD   LYS  24          2HD       LYS  24   8.529   6.261   0.440
  287   2HD   LYS  24          3HD       LYS  24   8.814   6.068  -1.295
  288   1HE   LYS  24          2HE       LYS  24   6.469   6.688  -1.780
  289   2HE   LYS  24          3HE       LYS  24   6.145   6.871  -0.050
  290   1HZ   LYS  24          3HZ       LYS  24   7.771   8.642   0.001
  291   2HZ   LYS  24          1HZ       LYS  24   8.046   8.481  -1.617
  292   3HZ   LYS  24          2HZ       LYS  24   6.571   8.964  -1.075
  293    QB   LYS  24           QB       LYS  24   6.393   4.643   1.127
  294    QG   LYS  24           QG       LYS  24   7.797   4.088  -0.850
  295    QD   LYS  24           QD       LYS  24   8.672   6.164  -0.427
  296    QE   LYS  24           QE       LYS  24   6.307   6.779  -0.915
  297    QZ   LYS  24           QZ       LYS  24   7.463   8.696  -0.897
  298    CH2  TRP  25           CH2      TRP  25  12.138  -4.395   4.817
  299    H    TRP  25           HN       TRP  25   7.893   0.465   0.721
  300    HA   TRP  25           HA       TRP  25   9.687   0.395   2.831
  301   1HB   TRP  25          2HB       TRP  25   9.105  -1.472   1.391
  302   2HB   TRP  25          3HB       TRP  25  10.073  -0.812   0.077
  303    HD1  TRP  25           HD1      TRP  25  12.696  -0.910   0.337
  304    HE1  TRP  25           HE1      TRP  25  14.299  -2.323   1.734
  305    HE3  TRP  25           HE3      TRP  25   9.318  -2.926   3.580
  306    HZ2  TRP  25           HZ2      TRP  25  14.122  -4.133   4.003
  307    HZ3  TRP  25           HZ3      TRP  25  10.051  -4.483   5.358
  308    HH2  TRP  25           HH2      TRP  25  12.448  -5.094   5.581
  309    QB   TRP  25           QB       TRP  25   9.589  -1.142   0.734
  310    H    LYS  26           HN       LYS  26  10.095   2.087  -0.203
  311    HA   LYS  26           HA       LYS  26  12.888   2.567   0.117
  312   1HB   LYS  26          2HB       LYS  26  11.547   2.617  -1.983
  313   2HB   LYS  26          3HB       LYS  26  10.879   4.184  -1.496
  314   1HG   LYS  26          2HG       LYS  26  13.084   5.210  -1.583
  315   2HG   LYS  26          3HG       LYS  26  13.869   3.617  -1.700
  316   1HD   LYS  26          2HD       LYS  26  12.895   3.226  -3.911
  317   2HD   LYS  26          3HD       LYS  26  11.954   4.713  -3.804
  318   1HE   LYS  26          2HE       LYS  26  13.979   4.892  -5.267
  319   2HE   LYS  26          3HE       LYS  26  13.905   6.106  -3.983
  320   1HZ   LYS  26          2HZ       LYS  26  15.505   3.631  -3.830
  321   2HZ   LYS  26          3HZ       LYS  26  16.098   5.104  -4.253
  322   3HZ   LYS  26          1HZ       LYS  26  15.500   4.871  -2.744
  323    QB   LYS  26           QB       LYS  26  11.213   3.401  -1.739
  324    QG   LYS  26           QG       LYS  26  13.476   4.413  -1.641
  325    QD   LYS  26           QD       LYS  26  12.425   3.969  -3.858
  326    QE   LYS  26           QE       LYS  26  13.942   5.499  -4.625
  327    QZ   LYS  26           QZ       LYS  26  15.701   4.536  -3.609
  328    H    ALA  27           HN       ALA  27  10.152   3.992   1.720
  329    HA   ALA  27           HA       ALA  27  11.942   6.031   2.995
  330   1HB   ALA  27          3HB       ALA  27   8.911   5.927   2.829
  331   2HB   ALA  27          1HB       ALA  27   9.860   7.109   3.752
  332   3HB   ALA  27          2HB       ALA  27   9.993   7.073   1.985
  333    QB   ALA  27           QB       ALA  27   9.588   6.703   2.855
  334    H    LYS  28           HN       LYS  28  10.363   3.016   3.340
  335    HA   LYS  28           HA       LYS  28  10.219   1.528   4.901
  336   1HB   LYS  28          2HB       LYS  28  12.607   3.008   5.707
  337   2HB   LYS  28          3HB       LYS  28  11.816   2.299   7.105
  338   1HG   LYS  28          2HG       LYS  28  11.710   0.105   5.875
  339   2HG   LYS  28          3HG       LYS  28  12.676   0.833   4.579
  340   1HD   LYS  28          2HD       LYS  28  14.553   1.164   6.068
  341   2HD   LYS  28          3HD       LYS  28  13.562   0.779   7.494
  342   1HE   LYS  28          2HE       LYS  28  13.236  -1.530   6.711
  343   2HE   LYS  28          3HE       LYS  28  14.174  -1.196   5.244
  344   1HZ   LYS  28          1HZ       LYS  28  15.238  -1.065   7.997
  345   2HZ   LYS  28          2HZ       LYS  28  15.456  -2.317   6.958
  346   3HZ   LYS  28          3HZ       LYS  28  16.103  -0.846   6.614
  347    QB   LYS  28           QB       LYS  28  12.212   2.653   6.406
  348    QG   LYS  28           QG       LYS  28  12.193   0.469   5.227
  349    QD   LYS  28           QD       LYS  28  14.057   0.972   6.781
  350    QE   LYS  28           QE       LYS  28  13.705  -1.363   5.977
  351    QZ   LYS  28           QZ       LYS  28  15.599  -1.409   7.190
  352    H    GLN  29           HN       GLN  29   8.166   3.493   4.827
  353    HA   GLN  29           HA       GLN  29   7.057   3.064   7.533
  354   1HB   GLN  29          2HB       GLN  29   7.305   5.821   6.256
  355   2HB   GLN  29          3HB       GLN  29   6.305   5.440   7.666
  356   1HG   GLN  29          2HG       GLN  29   8.356   4.680   8.890
  357   2HG   GLN  29          3HG       GLN  29   9.345   5.257   7.538
  358   1HE2  GLN  29          2HE2      GLN  29   8.712   8.738   8.203
  359   2HE2  GLN  29          1HE2      GLN  29   9.057   7.603   6.907
  360    QB   GLN  29           QB       GLN  29   6.805   5.630   6.961
  361    QG   GLN  29           QG       GLN  29   8.850   4.969   8.214
  362    QE2  GLN  29           QE2      GLN  29   8.885   8.171   7.555
  363    H    CYS  30           HN       CYS  30   4.777   3.620   7.672
  364    HA   CYS  30           HA       CYS  30   3.252   2.705   5.345
  365   1HB   CYS  30          2HB       CYS  30   2.491   3.295   8.192
  366   2HB   CYS  30          3HB       CYS  30   1.348   2.777   6.960
  367    QB   CYS  30           QB       CYS  30   1.920   3.036   7.576
  368    H    LEU  31           HN       LEU  31   1.870   3.975   4.140
  369    HA   LEU  31           HA       LEU  31   1.465   6.814   4.864
  370   1HB   LEU  31          2HB       LEU  31   2.698   5.797   2.275
  371   2HB   LEU  31          3HB       LEU  31   2.396   7.493   2.650
  372    HG   LEU  31           HG       LEU  31   4.396   5.708   4.121
  373   1HD1  LEU  31          3HD1      LEU  31   4.853   6.116   1.715
  374   2HD1  LEU  31          1HD1      LEU  31   4.990   7.850   2.061
  375   3HD1  LEU  31          2HD1      LEU  31   6.109   6.693   2.839
  376   1HD2  LEU  31          3HD2      LEU  31   3.476   7.819   5.358
  377   2HD2  LEU  31          1HD2      LEU  31   5.228   7.633   5.185
  378   3HD2  LEU  31          2HD2      LEU  31   4.340   8.745   4.121
  379    QB   LEU  31           QB       LEU  31   2.547   6.645   2.463
  380    QD1  LEU  31           QD1      LEU  31   5.317   6.886   2.205
  381    QD2  LEU  31           QD2      LEU  31   4.348   8.066   4.888
  382    QQD  LEU  31           QQD      LEU  31   4.833   7.476   3.546
  383    HA   PRO  32           HA       PRO  32  -2.332   5.919   2.598
  384   1HB   PRO  32          2HB       PRO  32  -3.180   8.363   1.831
  385   2HB   PRO  32          3HB       PRO  32  -3.102   7.907   3.556
  386   1HG   PRO  32          2HG       PRO  32  -0.995   9.412   1.960
  387   2HG   PRO  32          3HG       PRO  32  -1.746   9.923   3.501
  388   1HD   PRO  32          2HD       PRO  32   0.633   8.625   3.456
  389   2HD   PRO  32          3HD       PRO  32  -0.571   8.238   4.715
  390    QB   PRO  32           QB       PRO  32  -3.141   8.135   2.693
  391    QG   PRO  32           QG       PRO  32  -1.370   9.667   2.730
  392    QD   PRO  32           QD       PRO  32   0.031   8.431   4.086
  393    H    PHE  33           HN       PHE  33  -3.192   5.979   0.360
  394    HA   PHE  33           HA       PHE  33  -2.057   7.645  -1.617
  395   1HB   PHE  33          2HB       PHE  33  -1.126   6.138  -3.153
  396   2HB   PHE  33          3HB       PHE  33  -0.304   5.795  -1.654
  397    HD1  PHE  33          2HD       PHE  33  -1.826   3.860  -0.187
  398    HD2  PHE  33          1HD       PHE  33  -1.537   4.267  -4.473
  399    HE1  PHE  33          2HE       PHE  33  -2.085   1.414  -0.451
  400    HE2  PHE  33          1HE       PHE  33  -1.628   1.807  -4.699
  401    HZ   PHE  33           HZ       PHE  33  -1.814   0.375  -2.685
  402    QB   PHE  33           QB       PHE  33  -0.715   5.967  -2.403
  403    QR   PHE  33           QR       PHE  33  -1.769   2.837  -2.452
  404    H    ASP  34           HN       ASP  34  -3.214   7.118  -3.816
  405    HA   ASP  34           HA       ASP  34  -5.915   5.936  -3.368
  406   1HB   ASP  34          2HB       ASP  34  -4.729   7.612  -5.623
  407   2HB   ASP  34          3HB       ASP  34  -6.127   6.584  -5.794
  408    QB   ASP  34           QB       ASP  34  -5.428   7.098  -5.709
  409    OH   TYR  35           OH       TYR  35  -5.759  -3.437  -7.278
  410    H    TYR  35           HN       TYR  35  -5.800   3.764  -3.581
  411    HA   TYR  35           HA       TYR  35  -3.884   2.455  -5.442
  412   1HB   TYR  35          2HB       TYR  35  -4.518   1.188  -3.446
  413   2HB   TYR  35          3HB       TYR  35  -6.225   1.524  -3.744
  414    HD1  TYR  35           HD1      TYR  35  -3.429   0.227  -5.959
  415    HD2  TYR  35           HD2      TYR  35  -7.442  -0.307  -4.485
  416    HE1  TYR  35           HE1      TYR  35  -3.854  -1.605  -7.560
  417    HE2  TYR  35           HE2      TYR  35  -7.422  -2.626  -5.412
  418    HH   TYR  35           HH       TYR  35  -6.690  -3.703  -7.295
  419    QB   TYR  35           QB       TYR  35  -5.371   1.356  -3.595
  420    QR   TYR  35           QR       TYR  35  -5.537  -1.078  -5.854
  421    H    SER  36           HN       SER  36  -4.670   1.689  -7.528
  422    HA   SER  36           HA       SER  36  -6.654   3.469  -8.630
  423   1HB   SER  36          2HB       SER  36  -6.305   2.340 -10.725
  424   2HB   SER  36          3HB       SER  36  -4.768   2.730  -9.971
  425    HG   SER  36           HG       SER  36  -4.452   0.655  -9.415
  426    QB   SER  36           QB       SER  36  -5.537   2.535 -10.348
  427    H    GLY  37           HN       GLY  37  -6.560  -0.066  -8.216
  428   1HA   GLY  37          1HA       GLY  37  -8.908  -0.609  -6.929
  429   2HA   GLY  37          2HA       GLY  37  -9.472  -0.328  -8.587
  430    QA   GLY  37           QA       GLY  37  -9.190  -0.469  -7.758
  431    H    CYS  38           HN       CYS  38  -7.255  -1.327  -9.983
  432    HA   CYS  38           HA       CYS  38  -7.341  -4.230  -9.422
  433   1HB   CYS  38          2HB       CYS  38  -7.800  -4.731 -11.717
  434   2HB   CYS  38          3HB       CYS  38  -9.127  -3.848 -10.971
  435    QB   CYS  38           QB       CYS  38  -8.463  -4.289 -11.344
  436    H    GLY  39           HN       GLY  39  -5.680  -5.418 -10.217
  437   1HA   GLY  39          1HA       GLY  39  -3.525  -5.916 -10.709
  438   2HA   GLY  39          2HA       GLY  39  -3.435  -4.455 -11.682
  439    QA   GLY  39           QA       GLY  39  -3.480  -5.186 -11.195
  440    H    GLY  40           HN       GLY  40  -4.250  -4.316  -8.200
  441   1HA   GLY  40          1HA       GLY  40  -1.839  -2.925  -7.489
  442   2HA   GLY  40          2HA       GLY  40  -3.046  -3.552  -6.372
  443    QA   GLY  40           QA       GLY  40  -2.443  -3.238  -6.930
  444    H    ASN  41           HN       ASN  41  -1.128  -4.051  -5.078
  445    HA   ASN  41           HA       ASN  41  -0.337  -6.872  -5.558
  446   1HB   ASN  41          2HB       ASN  41   1.862  -6.467  -4.735
  447   2HB   ASN  41          3HB       ASN  41   1.579  -5.414  -6.101
  448   1HD2  ASN  41          2HD2      ASN  41   3.043  -2.899  -4.030
  449   2HD2  ASN  41          1HD2      ASN  41   3.426  -4.133  -5.213
  450    QB   ASN  41           QB       ASN  41   1.720  -5.940  -5.418
  451    QD2  ASN  41           QD2      ASN  41   3.235  -3.516  -4.622
  452    H    ALA  42           HN       ALA  42   0.992  -7.103  -3.033
  453    HA   ALA  42           HA       ALA  42  -1.416  -7.261  -1.325
  454   1HB   ALA  42          3HB       ALA  42   1.358  -8.466  -1.111
  455   2HB   ALA  42          1HB       ALA  42   0.020  -8.762   0.020
  456   3HB   ALA  42          2HB       ALA  42  -0.113  -9.270  -1.677
  457    QB   ALA  42           QB       ALA  42   0.422  -8.833  -0.923
  458    H    ASN  43           HN       ASN  43   1.092  -4.968  -1.715
  459    HA   ASN  43           HA       ASN  43   1.442  -4.425   1.162
  460   1HB   ASN  43          2HB       ASN  43   3.253  -4.168  -0.646
  461   2HB   ASN  43          3HB       ASN  43   2.406  -2.729  -1.179
  462   1HD2  ASN  43          2HD2      ASN  43   4.958  -1.474   1.151
  463   2HD2  ASN  43          1HD2      ASN  43   4.979  -2.328  -0.344
  464    QB   ASN  43           QB       ASN  43   2.829  -3.449  -0.913
  465    QD2  ASN  43           QD2      ASN  43   4.968  -1.901   0.404
  466    NH1  ARG  44           NH2      ARG  44  -6.253  -4.075  -2.771
  467    NH2  ARG  44           NH1      ARG  44  -4.541  -5.591  -3.180
  468    H    ARG  44           HN       ARG  44  -1.071  -4.250   1.220
  469    HA   ARG  44           HA       ARG  44  -1.891  -1.444   0.746
  470   1HB   ARG  44          2HB       ARG  44  -2.021  -2.614  -1.410
  471   2HB   ARG  44          3HB       ARG  44  -3.134  -3.798  -0.684
  472   1HG   ARG  44          2HG       ARG  44  -4.862  -2.023  -0.453
  473   2HG   ARG  44          3HG       ARG  44  -3.664  -0.789  -0.855
  474   1HD   ARG  44          2HD       ARG  44  -5.253  -1.582  -2.747
  475   2HD   ARG  44          3HD       ARG  44  -3.549  -1.338  -3.086
  476    HE   ARG  44           HE       ARG  44  -3.098  -3.608  -3.203
  477   1HH1  ARG  44          2HH2      ARG  44  -6.542  -3.119  -2.628
  478   2HH1  ARG  44          1HH2      ARG  44  -6.943  -4.808  -2.735
  479   1HH2  ARG  44          2HH1      ARG  44  -3.538  -5.768  -3.264
  480   2HH2  ARG  44          1HH1      ARG  44  -5.166  -6.379  -3.136
  481    QB   ARG  44           QB       ARG  44  -2.577  -3.206  -1.047
  482    QG   ARG  44           QG       ARG  44  -4.263  -1.406  -0.654
  483    QD   ARG  44           QD       ARG  44  -4.401  -1.460  -2.917
  484    QH1  ARG  44           QH2      ARG  44  -6.743  -3.964  -2.682
  485    QH2  ARG  44           QH1      ARG  44  -4.352  -6.073  -3.200
  486    H    PHE  45           HN       PHE  45  -3.110  -0.847   2.367
  487    HA   PHE  45           HA       PHE  45  -4.609  -2.791   4.094
  488   1HB   PHE  45          2HB       PHE  45  -2.737  -0.537   4.868
  489   2HB   PHE  45          3HB       PHE  45  -3.658  -1.541   5.974
  490    HD1  PHE  45          2HD       PHE  45  -3.085  -3.950   6.298
  491    HD2  PHE  45          1HD       PHE  45  -0.702  -1.416   3.759
  492    HE1  PHE  45          2HE       PHE  45  -1.130  -5.410   6.691
  493    HE2  PHE  45          1HE       PHE  45   1.250  -2.907   4.103
  494    HZ   PHE  45           HZ       PHE  45   1.060  -4.855   5.651
  495    QB   PHE  45           QB       PHE  45  -3.198  -1.039   5.421
  496    QR   PHE  45           QR       PHE  45  -0.917  -3.421   5.213
  497    H    LYS  46           HN       LYS  46  -6.504  -2.002   4.909
  498    HA   LYS  46           HA       LYS  46  -7.637   0.401   3.719
  499   1HB   LYS  46          2HB       LYS  46  -8.631  -1.365   5.996
  500   2HB   LYS  46          3HB       LYS  46  -9.539  -0.060   5.210
  501   1HG   LYS  46          2HG       LYS  46  -9.291  -1.220   3.024
  502   2HG   LYS  46          3HG       LYS  46  -8.515  -2.593   3.851
  503   1HD   LYS  46          2HD       LYS  46 -10.531  -2.859   5.294
  504   2HD   LYS  46          3HD       LYS  46 -11.338  -1.549   4.429
  505   1HE   LYS  46          2HE       LYS  46 -10.404  -4.220   3.250
  506   2HE   LYS  46          3HE       LYS  46 -12.073  -3.780   3.640
  507   1HZ   LYS  46          3HZ       LYS  46 -11.920  -2.023   1.989
  508   2HZ   LYS  46          1HZ       LYS  46 -10.394  -2.498   1.588
  509   3HZ   LYS  46          2HZ       LYS  46 -11.665  -3.508   1.328
  510    QB   LYS  46           QB       LYS  46  -9.085  -0.713   5.603
  511    QG   LYS  46           QG       LYS  46  -8.903  -1.907   3.438
  512    QD   LYS  46           QD       LYS  46 -10.934  -2.204   4.861
  513    QE   LYS  46           QE       LYS  46 -11.238  -4.000   3.445
  514    QZ   LYS  46           QZ       LYS  46 -11.326  -2.676   1.635
  515    H    THR  47           HN       THR  47  -5.713  -0.297   6.568
  516    HA   THR  47           HA       THR  47  -6.112   2.529   7.455
  517    HB   THR  47           HB       THR  47  -6.123   1.932   9.758
  518    HG1  THR  47          1HG       THR  47  -6.344  -0.791   9.191
  519   1HG2  THR  47          2HG2      THR  47  -8.328   1.952   8.618
  520   2HG2  THR  47          3HG2      THR  47  -8.205   0.203   8.342
  521   3HG2  THR  47          1HG2      THR  47  -8.286   0.836   9.995
  522    QG2  THR  47           QG2      THR  47  -8.273   0.997   8.985
  523    H    ILE  48           HN       ILE  48  -4.373   3.553   8.262
  524    HA   ILE  48           HA       ILE  48  -1.742   2.611   7.712
  525    HB   ILE  48           HB       ILE  48  -2.774   5.023   8.166
  526   1HG1  ILE  48          2HG1      ILE  48  -0.460   4.498   7.409
  527   2HG1  ILE  48          3HG1      ILE  48  -0.813   6.055   8.165
  528   1HG2  ILE  48          3HG2      ILE  48  -3.513   4.635  10.441
  529   2HG2  ILE  48          1HG2      ILE  48  -1.837   4.404  10.972
  530   3HG2  ILE  48          2HG2      ILE  48  -2.357   5.974  10.336
  531   1HD1  ILE  48          2HD1      ILE  48   0.431   3.709   9.598
  532   2HD1  ILE  48          3HD1      ILE  48   1.279   5.142   8.951
  533   3HD1  ILE  48          1HD1      ILE  48   0.113   5.335  10.273
  534    QG1  ILE  48           QG1      ILE  48  -0.636   5.277   7.787
  535    QG2  ILE  48           QG2      ILE  48  -2.569   5.004  10.583
  536    QD1  ILE  48           QD1      ILE  48   0.607   4.729   9.607
  537    H    GLU  49           HN       GLU  49  -3.821   2.323  10.573
  538    HA   GLU  49           HA       GLU  49  -1.693   1.456  12.270
  539   1HB   GLU  49          2HB       GLU  49  -4.101   2.224  12.976
  540   2HB   GLU  49          3HB       GLU  49  -4.628   0.611  12.466
  541   1HG   GLU  49          2HG       GLU  49  -2.669  -0.196  14.098
  542   2HG   GLU  49          3HG       GLU  49  -2.869   1.417  14.793
  543    QB   GLU  49           QB       GLU  49  -4.365   1.417  12.721
  544    QG   GLU  49           QG       GLU  49  -2.769   0.611  14.446
  545    H    GLU  50           HN       GLU  50  -4.001  -0.374  10.156
  546    HA   GLU  50           HA       GLU  50  -3.001  -2.895  11.006
  547   1HB   GLU  50          2HB       GLU  50  -5.113  -2.514   9.695
  548   2HB   GLU  50          3HB       GLU  50  -4.141  -2.140   8.264
  549   1HG   GLU  50          2HG       GLU  50  -4.864  -4.420   8.034
  550   2HG   GLU  50          3HG       GLU  50  -3.147  -4.516   8.503
  551    QB   GLU  50           QB       GLU  50  -4.627  -2.327   8.980
  552    QG   GLU  50           QG       GLU  50  -4.006  -4.468   8.269
  553    H    CYS  51           HN       CYS  51  -2.045  -0.737   8.286
  554    HA   CYS  51           HA       CYS  51   0.097  -2.326   7.353
  555   1HB   CYS  51          2HB       CYS  51  -0.659  -0.286   6.147
  556   2HB   CYS  51          3HB       CYS  51   0.004   0.727   7.437
  557    QB   CYS  51           QB       CYS  51  -0.328   0.221   6.792
  558    NH1  ARG  52           NH2      ARG  52   3.200   3.728  15.107
  559    NH2  ARG  52           NH1      ARG  52   1.033   4.551  15.121
  560    H    ARG  52           HN       ARG  52   0.195   0.215   9.895
  561    HA   ARG  52           HA       ARG  52   2.986  -0.088  10.236
  562   1HB   ARG  52          2HB       ARG  52   1.447   1.838  10.830
  563   2HB   ARG  52          3HB       ARG  52   1.049   0.983  12.328
  564   1HG   ARG  52          2HG       ARG  52   3.298   1.241  13.138
  565   2HG   ARG  52          3HG       ARG  52   3.936   1.488  11.506
  566   1HD   ARG  52          2HD       ARG  52   3.974   3.639  12.598
  567   2HD   ARG  52          3HD       ARG  52   2.819   3.638  11.289
  568    HE   ARG  52           HE       ARG  52   1.023   3.789  12.723
  569   1HH1  ARG  52          2HH2      ARG  52   3.933   3.228  14.625
  570   2HH1  ARG  52          1HH2      ARG  52   3.342   3.970  16.077
  571   1HH2  ARG  52          2HH1      ARG  52   0.161   4.741  14.649
  572   2HH2  ARG  52          1HH1      ARG  52   1.113   4.805  16.095
  573    QB   ARG  52           QB       ARG  52   1.248   1.410  11.579
  574    QG   ARG  52           QG       ARG  52   3.617   1.364  12.322
  575    QD   ARG  52           QD       ARG  52   3.396   3.638  11.943
  576    QH1  ARG  52           QH2      ARG  52   3.637   3.599  15.351
  577    QH2  ARG  52           QH1      ARG  52   0.637   4.773  15.372
  578    NH1  ARG  53           NH2      ARG  53  -2.869  -6.917  14.302
  579    NH2  ARG  53           NH1      ARG  53  -4.264  -7.001  12.464
  580    H    ARG  53           HN       ARG  53   0.235  -1.627  11.875
  581    HA   ARG  53           HA       ARG  53   1.933  -2.865  13.869
  582   1HB   ARG  53          2HB       ARG  53   0.032  -3.598  14.882
  583   2HB   ARG  53          3HB       ARG  53  -0.606  -2.222  13.989
  584   1HG   ARG  53          2HG       ARG  53  -1.288  -3.848  12.179
  585   2HG   ARG  53          3HG       ARG  53  -0.810  -5.172  13.255
  586   1HD   ARG  53          2HD       ARG  53  -2.469  -4.307  14.975
  587   2HD   ARG  53          3HD       ARG  53  -2.927  -3.041  13.841
  588    HE   ARG  53           HE       ARG  53  -4.103  -4.526  12.536
  589   1HH1  ARG  53          2HH2      ARG  53  -2.310  -6.368  14.937
  590   2HH1  ARG  53          1HH2      ARG  53  -2.875  -7.922  14.373
  591   1HH2  ARG  53          2HH1      ARG  53  -4.568  -6.531  11.599
  592   2HH2  ARG  53          1HH1      ARG  53  -4.294  -8.005  12.464
  593    QB   ARG  53           QB       ARG  53  -0.287  -2.910  14.435
  594    QG   ARG  53           QG       ARG  53  -1.049  -4.510  12.717
  595    QD   ARG  53           QD       ARG  53  -2.698  -3.674  14.408
  596    QH1  ARG  53           QH2      ARG  53  -2.593  -7.145  14.655
  597    QH2  ARG  53           QH1      ARG  53  -4.431  -7.268  12.032
  598    H    THR  54           HN       THR  54   0.769  -3.781  10.643
  599    HA   THR  54           HA       THR  54   1.613  -6.547  10.878
  600    HB   THR  54           HB       THR  54   1.099  -4.816   8.421
  601    HG1  THR  54          1HG       THR  54  -0.736  -5.065   9.627
  602   1HG2  THR  54          3HG2      THR  54   1.397  -7.843   8.740
  603   2HG2  THR  54          1HG2      THR  54   0.785  -7.028   7.289
  604   3HG2  THR  54          2HG2      THR  54   2.460  -6.781   7.793
  605    QG2  THR  54           QG2      THR  54   1.548  -7.217   7.940
  606    H    CYS  55           HN       CYS  55   3.074  -3.597   9.345
  607    HA   CYS  55           HA       CYS  55   5.418  -5.235   8.732
  608   1HB   CYS  55          2HB       CYS  55   4.533  -3.856   7.009
  609   2HB   CYS  55          3HB       CYS  55   5.034  -2.398   7.881
  610    QB   CYS  55           QB       CYS  55   4.784  -3.127   7.445
  611    H    VAL  56           HN       VAL  56   4.825  -2.255  10.520
  612    HA   VAL  56           HA       VAL  56   7.509  -2.293  11.753
  613    HB   VAL  56           HB       VAL  56   5.206  -0.372  12.314
  614   1HG1  VAL  56          2HG1      VAL  56   8.139  -0.387  12.970
  615   2HG1  VAL  56          3HG1      VAL  56   7.368   1.161  12.592
  616   3HG1  VAL  56          1HG1      VAL  56   6.743   0.205  13.917
  617   1HG2  VAL  56          1HG2      VAL  56   7.376  -0.116  10.232
  618   2HG2  VAL  56          2HG2      VAL  56   5.627  -0.277   9.890
  619   3HG2  VAL  56          3HG2      VAL  56   6.236   1.171  10.679
  620    QG1  VAL  56           QG1      VAL  56   7.417   0.326  13.160
  621    QG2  VAL  56           QG2      VAL  56   6.413   0.259  10.267
  622    QQG  VAL  56           QQG      VAL  56   6.915   0.293  11.713
  623    H    GLY  57           HN       GLY  57   6.812  -1.605  14.430
  624   1HA   GLY  57          1HA       GLY  57   4.705  -3.210  15.477
  625   2HA   GLY  57          2HA       GLY  57   6.341  -3.822  15.867
  626    QA   GLY  57           QA       GLY  57   5.523  -3.516  15.672
   
  Start of MODEL          12
 Raw file had  626 H/Q atoms
  Start of MODEL   12
    1    H    ALA   1           HN       ALA   1   7.736  -8.572  10.633
    2    HA   ALA   1           HA       ALA   1   7.169  -6.741   9.204
    3   1HB   ALA   1          3HB       ALA   1  10.067  -6.974   8.264
    4   2HB   ALA   1          1HB       ALA   1   8.841  -5.928   7.538
    5   3HB   ALA   1          2HB       ALA   1   9.371  -5.634   9.208
    6    QB   ALA   1           QB       ALA   1   9.426  -6.179   8.336
    7    H    ALA   2           HN       ALA   2   6.150  -7.235   7.214
    8    HA   ALA   2           HA       ALA   2   6.211  -9.994   6.356
    9   1HB   ALA   2          2HB       ALA   2   4.826  -7.538   5.209
   10   2HB   ALA   2          3HB       ALA   2   4.541  -9.212   4.705
   11   3HB   ALA   2          1HB       ALA   2   4.145  -8.709   6.354
   12    QB   ALA   2           QB       ALA   2   4.504  -8.486   5.423
   13    H    LYS   3           HN       LYS   3   6.339 -10.527   3.982
   14    HA   LYS   3           HA       LYS   3   8.899  -9.627   2.857
   15   1HB   LYS   3          2HB       LYS   3   7.042 -11.884   2.421
   16   2HB   LYS   3          3HB       LYS   3   7.501 -11.103   0.917
   17   1HG   LYS   3          2HG       LYS   3   9.051 -12.721   1.076
   18   2HG   LYS   3          3HG       LYS   3   9.957 -11.329   1.644
   19   1HD   LYS   3          2HD       LYS   3   8.631 -13.496   3.363
   20   2HD   LYS   3          3HD       LYS   3  10.334 -13.466   2.894
   21   1HE   LYS   3          2HE       LYS   3  10.660 -11.338   4.150
   22   2HE   LYS   3          3HE       LYS   3   8.967 -11.396   4.675
   23   1HZ   LYS   3          2HZ       LYS   3  10.991 -13.425   5.322
   24   2HZ   LYS   3          3HZ       LYS   3  10.420 -12.265   6.337
   25   3HZ   LYS   3          1HZ       LYS   3   9.416 -13.446   5.799
   26    QB   LYS   3           QB       LYS   3   7.272 -11.493   1.669
   27    QG   LYS   3           QG       LYS   3   9.504 -12.025   1.360
   28    QD   LYS   3           QD       LYS   3   9.482 -13.481   3.128
   29    QE   LYS   3           QE       LYS   3   9.814 -11.367   4.412
   30    QZ   LYS   3           QZ       LYS   3  10.276 -13.045   5.819
   31    OH   TYR   4           OH       TYR   4   0.658  -9.023   5.132
   32    H    TYR   4           HN       TYR   4   5.430  -9.540   1.883
   33    HA   TYR   4           HA       TYR   4   5.759  -7.963  -0.376
   34   1HB   TYR   4          2HB       TYR   4   3.352  -7.367  -0.034
   35   2HB   TYR   4          3HB       TYR   4   3.758  -9.081  -0.082
   36    HD1  TYR   4           HD2      TYR   4   2.633  -6.285   2.073
   37    HD2  TYR   4           HD1      TYR   4   3.300 -10.533   1.769
   38    HE1  TYR   4           HE2      TYR   4   1.130  -6.666   3.995
   39    HE2  TYR   4           HE1      TYR   4   1.879 -10.895   3.767
   40    HH   TYR   4           HH       TYR   4   0.188  -8.243   5.432
   41    QB   TYR   4           QB       TYR   4   3.555  -8.224  -0.058
   42    QR   TYR   4           QR       TYR   4   2.235  -8.595   2.901
   43    H    CYS   5           HN       CYS   5   5.969  -6.971   2.903
   44    HA   CYS   5           HA       CYS   5   5.462  -4.204   2.789
   45   1HB   CYS   5          2HB       CYS   5   6.039  -5.573   4.830
   46   2HB   CYS   5          3HB       CYS   5   7.731  -5.488   4.336
   47    QB   CYS   5           QB       CYS   5   6.885  -5.530   4.583
   48    H    LYS   6           HN       LYS   6   8.149  -6.032   1.490
   49    HA   LYS   6           HA       LYS   6   9.908  -3.841   0.803
   50   1HB   LYS   6          2HB       LYS   6   9.564  -6.649  -0.249
   51   2HB   LYS   6          3HB       LYS   6  10.599  -5.494  -1.068
   52   1HG   LYS   6          2HG       LYS   6  11.843  -6.939   0.456
   53   2HG   LYS   6          3HG       LYS   6  12.060  -5.201   0.744
   54   1HD   LYS   6          2HD       LYS   6  10.600  -5.240   2.658
   55   2HD   LYS   6          3HD       LYS   6  10.090  -6.905   2.309
   56   1HE   LYS   6          2HE       LYS   6  12.356  -7.742   2.774
   57   2HE   LYS   6          3HE       LYS   6  12.935  -6.091   3.043
   58   1HZ   LYS   6          1HZ       LYS   6  10.845  -7.430   4.644
   59   2HZ   LYS   6          2HZ       LYS   6  12.421  -7.220   5.104
   60   3HZ   LYS   6          3HZ       LYS   6  11.439  -5.918   4.889
   61    QB   LYS   6           QB       LYS   6  10.081  -6.072  -0.658
   62    QG   LYS   6           QG       LYS   6  11.952  -6.070   0.600
   63    QD   LYS   6           QD       LYS   6  10.345  -6.072   2.484
   64    QE   LYS   6           QE       LYS   6  12.646  -6.916   2.909
   65    QZ   LYS   6           QZ       LYS   6  11.568  -6.856   4.879
   66    H    LEU   7           HN       LEU   7   6.916  -5.024  -0.773
   67    HA   LEU   7           HA       LEU   7   7.679  -4.220  -3.387
   68   1HB   LEU   7          2HB       LEU   7   4.928  -4.399  -2.138
   69   2HB   LEU   7          3HB       LEU   7   5.264  -4.366  -3.866
   70    HG   LEU   7           HG       LEU   7   6.455  -6.564  -2.139
   71   1HD1  LEU   7          3HD1      LEU   7   3.867  -6.376  -1.922
   72   2HD1  LEU   7          1HD1      LEU   7   3.871  -6.811  -3.636
   73   3HD1  LEU   7          2HD1      LEU   7   4.550  -7.934  -2.463
   74   1HD2  LEU   7          1HD2      LEU   7   5.618  -6.394  -5.072
   75   2HD2  LEU   7          2HD2      LEU   7   7.292  -6.341  -4.474
   76   3HD2  LEU   7          3HD2      LEU   7   6.312  -7.812  -4.269
   77    QB   LEU   7           QB       LEU   7   5.096  -4.383  -3.002
   78    QD1  LEU   7           QD1      LEU   7   4.096  -7.040  -2.674
   79    QD2  LEU   7           QD2      LEU   7   6.407  -6.849  -4.605
   80    QQD  LEU   7           QQD      LEU   7   5.252  -6.945  -3.639
   81    HA   PRO   8           HA       PRO   8   7.332   0.180  -2.857
   82   1HB   PRO   8          2HB       PRO   8   7.489   1.090  -5.411
   83   2HB   PRO   8          3HB       PRO   8   8.804   0.121  -4.698
   84   1HG   PRO   8          2HG       PRO   8   6.515  -0.898  -6.410
   85   2HG   PRO   8          3HG       PRO   8   8.266  -1.132  -6.692
   86   1HD   PRO   8          2HD       PRO   8   6.759  -2.997  -5.378
   87   2HD   PRO   8          3HD       PRO   8   8.449  -2.646  -4.882
   88    QB   PRO   8           QB       PRO   8   8.147   0.605  -5.054
   89    QG   PRO   8           QG       PRO   8   7.390  -1.015  -6.551
   90    QD   PRO   8           QD       PRO   8   7.604  -2.821  -5.130
   91    H    LEU   9           HN       LEU   9   6.076   2.118  -4.062
   92    HA   LEU   9           HA       LEU   9   3.305   1.944  -3.549
   93   1HB   LEU   9          2HB       LEU   9   4.549   4.068  -3.689
   94   2HB   LEU   9          3HB       LEU   9   4.891   3.785  -5.395
   95    HG   LEU   9           HG       LEU   9   2.595   4.094  -6.024
   96   1HD1  LEU   9          2HD1      LEU   9   1.991   3.937  -3.065
   97   2HD1  LEU   9          3HD1      LEU   9   0.910   4.797  -4.148
   98   3HD1  LEU   9          1HD1      LEU   9   1.213   3.076  -4.382
   99   1HD2  LEU   9          1HD2      LEU   9   3.981   6.105  -5.592
  100   2HD2  LEU   9          2HD2      LEU   9   2.257   6.412  -5.316
  101   3HD2  LEU   9          3HD2      LEU   9   3.344   6.176  -3.934
  102    QB   LEU   9           QB       LEU   9   4.720   3.926  -4.542
  103    QD1  LEU   9           QD1      LEU   9   1.371   3.937  -3.865
  104    QD2  LEU   9           QD2      LEU   9   3.194   6.231  -4.947
  105    QQD  LEU   9           QQD      LEU   9   2.283   5.084  -4.406
  106    NH1  ARG  10           NH2      ARG  10   2.796  -4.882  -9.011
  107    NH2  ARG  10           NH1      ARG  10   0.836  -5.630  -9.994
  108    H    ARG  10           HN       ARG  10   1.703   1.042  -4.685
  109    HA   ARG  10           HA       ARG  10   2.159   0.175  -7.503
  110   1HB   ARG  10          2HB       ARG  10   2.813  -1.548  -5.936
  111   2HB   ARG  10          3HB       ARG  10   1.278  -1.400  -5.068
  112   1HG   ARG  10          2HG       ARG  10   1.392  -3.363  -6.589
  113   2HG   ARG  10          3HG       ARG  10   0.037  -2.280  -6.863
  114   1HD   ARG  10          2HD       ARG  10   1.059  -1.424  -8.890
  115   2HD   ARG  10          3HD       ARG  10   2.573  -2.255  -8.562
  116    HE   ARG  10           HE       ARG  10  -0.033  -3.417  -9.491
  117   1HH1  ARG  10          2HH2      ARG  10   3.314  -4.147  -8.558
  118   2HH1  ARG  10          1HH2      ARG  10   3.253  -5.765  -9.189
  119   1HH2  ARG  10          2HH1      ARG  10  -0.155  -5.441 -10.149
  120   2HH2  ARG  10          1HH1      ARG  10   1.191  -6.562 -10.144
  121    QB   ARG  10           QB       ARG  10   2.046  -1.474  -5.502
  122    QG   ARG  10           QG       ARG  10   0.714  -2.822  -6.726
  123    QD   ARG  10           QD       ARG  10   1.816  -1.840  -8.726
  124    QH1  ARG  10           QH2      ARG  10   3.283  -4.956  -8.873
  125    QH2  ARG  10           QH1      ARG  10   0.518  -6.001 -10.146
  126    H    ILE  11           HN       ILE  11   0.812   1.864  -8.155
  127    HA   ILE  11           HA       ILE  11  -1.842   2.217  -7.102
  128    HB   ILE  11           HB       ILE  11  -0.788   3.185  -9.766
  129   1HG1  ILE  11          2HG1      ILE  11   0.878   3.920  -8.159
  130   2HG1  ILE  11          3HG1      ILE  11  -0.203   5.265  -8.498
  131   1HG2  ILE  11          1HG2      ILE  11  -2.993   4.134  -7.880
  132   2HG2  ILE  11          2HG2      ILE  11  -2.387   5.081  -9.249
  133   3HG2  ILE  11          3HG2      ILE  11  -3.168   3.520  -9.525
  134   1HD1  ILE  11          3HD1      ILE  11  -1.451   4.966  -6.525
  135   2HD1  ILE  11          1HD1      ILE  11  -0.337   3.660  -6.005
  136   3HD1  ILE  11          2HD1      ILE  11   0.248   5.326  -6.232
  137    QG1  ILE  11           QG1      ILE  11   0.338   4.592  -8.329
  138    QG2  ILE  11           QG2      ILE  11  -2.850   4.245  -8.884
  139    QD1  ILE  11           QD1      ILE  11  -0.513   4.651  -6.254
  140    H    GLY  12           HN       GLY  12  -0.509   0.552  -9.906
  141   1HA   GLY  12          1HA       GLY  12  -1.313  -1.331 -10.963
  142   2HA   GLY  12          2HA       GLY  12  -2.878  -1.209 -10.150
  143    QA   GLY  12           QA       GLY  12  -2.095  -1.270 -10.556
  144    HA   PRO  13           HA       PRO  13  -2.399   0.785 -14.444
  145   1HB   PRO  13          2HB       PRO  13  -3.384  -1.031 -16.211
  146   2HB   PRO  13          3HB       PRO  13  -1.787  -1.227 -15.437
  147   1HG   PRO  13          2HG       PRO  13  -4.425  -2.431 -14.515
  148   2HG   PRO  13          3HG       PRO  13  -2.901  -3.305 -14.863
  149   1HD   PRO  13          2HD       PRO  13  -3.510  -2.543 -12.330
  150   2HD   PRO  13          3HD       PRO  13  -1.840  -2.378 -12.947
  151    QB   PRO  13           QB       PRO  13  -2.585  -1.129 -15.824
  152    QG   PRO  13           QG       PRO  13  -3.663  -2.868 -14.689
  153    QD   PRO  13           QD       PRO  13  -2.675  -2.460 -12.639
  154    H    CYS  14           HN       CYS  14  -5.238   0.103 -12.669
  155    HA   CYS  14           HA       CYS  14  -7.132   0.950 -14.776
  156   1HB   CYS  14          2HB       CYS  14  -7.202  -0.225 -12.042
  157   2HB   CYS  14          3HB       CYS  14  -8.529   0.817 -12.417
  158    QB   CYS  14           QB       CYS  14  -7.865   0.296 -12.230
  159    H    LYS  15           HN       LYS  15  -8.810   2.664 -13.566
  160    HA   LYS  15           HA       LYS  15  -7.211   4.859 -12.354
  161   1HB   LYS  15          2HB       LYS  15  -7.257   5.064 -14.879
  162   2HB   LYS  15          3HB       LYS  15  -9.011   5.224 -14.768
  163   1HG   LYS  15          2HG       LYS  15  -7.810   7.090 -12.905
  164   2HG   LYS  15          3HG       LYS  15  -6.909   7.223 -14.412
  165   1HD   LYS  15          2HD       LYS  15  -9.942   7.377 -14.145
  166   2HD   LYS  15          3HD       LYS  15  -8.873   8.785 -14.206
  167   1HE   LYS  15          2HE       LYS  15  -8.208   8.351 -16.469
  168   2HE   LYS  15          3HE       LYS  15  -8.891   6.724 -16.462
  169   1HZ   LYS  15          2HZ       LYS  15 -10.479   9.193 -16.289
  170   2HZ   LYS  15          3HZ       LYS  15 -10.293   8.255 -17.628
  171   3HZ   LYS  15          1HZ       LYS  15 -11.071   7.658 -16.309
  172    QB   LYS  15           QB       LYS  15  -8.134   5.144 -14.823
  173    QG   LYS  15           QG       LYS  15  -7.359   7.157 -13.659
  174    QD   LYS  15           QD       LYS  15  -9.407   8.081 -14.176
  175    QE   LYS  15           QE       LYS  15  -8.549   7.537 -16.466
  176    QZ   LYS  15           QZ       LYS  15 -10.614   8.369 -16.742
  177    NH1  ARG  16           NH2      ARG  16 -12.078  -2.195  -9.607
  178    NH2  ARG  16           NH1      ARG  16 -14.329  -1.841  -9.955
  179    H    ARG  16           HN       ARG  16  -8.621   3.431 -10.744
  180    HA   ARG  16           HA       ARG  16 -11.196   4.835 -10.266
  181   1HB   ARG  16          2HB       ARG  16  -9.950   2.423  -8.933
  182   2HB   ARG  16          3HB       ARG  16 -11.464   3.148  -8.424
  183   1HG   ARG  16          2HG       ARG  16 -12.661   2.501 -10.282
  184   2HG   ARG  16          3HG       ARG  16 -11.234   2.274 -11.292
  185   1HD   ARG  16          2HD       ARG  16 -10.808   0.163 -10.558
  186   2HD   ARG  16          3HD       ARG  16 -11.315   0.522  -8.892
  187    HE   ARG  16           HE       ARG  16 -13.633   0.521 -10.454
  188   1HH1  ARG  16          2HH2      ARG  16 -11.098  -1.918  -9.611
  189   2HH1  ARG  16          1HH2      ARG  16 -12.239  -3.166  -9.389
  190   1HH2  ARG  16          2HH1      ARG  16 -15.109  -1.235 -10.163
  191   2HH2  ARG  16          1HH1      ARG  16 -14.519  -2.813  -9.760
  192    QB   ARG  16           QB       ARG  16 -10.707   2.786  -8.679
  193    QG   ARG  16           QG       ARG  16 -11.947   2.388 -10.787
  194    QD   ARG  16           QD       ARG  16 -11.061   0.343  -9.725
  195    QH1  ARG  16           QH2      ARG  16 -11.669  -2.542  -9.500
  196    QH2  ARG  16           QH1      ARG  16 -14.814  -2.024  -9.961
  197    H    LYS  17           HN       LYS  17 -11.383   5.176  -7.768
  198    HA   LYS  17           HA       LYS  17  -8.934   6.511  -6.666
  199   1HB   LYS  17          2HB       LYS  17 -10.529   8.121  -7.782
  200   2HB   LYS  17          3HB       LYS  17 -11.798   7.568  -6.701
  201   1HG   LYS  17          2HG       LYS  17  -9.987   8.293  -4.814
  202   2HG   LYS  17          3HG       LYS  17  -9.321   9.204  -6.150
  203   1HD   LYS  17          2HD       LYS  17 -10.720  10.787  -5.283
  204   2HD   LYS  17          3HD       LYS  17 -11.882  10.039  -6.382
  205   1HE   LYS  17          2HE       LYS  17 -11.486   9.582  -3.370
  206   2HE   LYS  17          3HE       LYS  17 -12.882  10.339  -4.143
  207   1HZ   LYS  17          1HZ       LYS  17 -12.088   7.502  -4.417
  208   2HZ   LYS  17          2HZ       LYS  17 -13.301   8.058  -3.467
  209   3HZ   LYS  17          3HZ       LYS  17 -13.409   8.186  -5.109
  210    QB   LYS  17           QB       LYS  17 -11.164   7.845  -7.242
  211    QG   LYS  17           QG       LYS  17  -9.654   8.748  -5.482
  212    QD   LYS  17           QD       LYS  17 -11.301  10.413  -5.832
  213    QE   LYS  17           QE       LYS  17 -12.184   9.960  -3.757
  214    QZ   LYS  17           QZ       LYS  17 -12.933   7.916  -4.331
  215    H    ILE  18           HN       ILE  18  -8.857   4.308  -5.587
  216    HA   ILE  18           HA       ILE  18 -10.879   4.018  -3.393
  217    HB   ILE  18           HB       ILE  18  -8.987   2.042  -4.636
  218   1HG1  ILE  18          2HG1      ILE  18 -12.029   1.930  -4.476
  219   2HG1  ILE  18          3HG1      ILE  18 -11.231   2.779  -5.800
  220   1HG2  ILE  18          3HG2      ILE  18 -10.948   1.694  -2.311
  221   2HG2  ILE  18          1HG2      ILE  18 -10.074   0.379  -3.115
  222   3HG2  ILE  18          2HG2      ILE  18  -9.183   1.583  -2.200
  223   1HD1  ILE  18          1HD1      ILE  18 -10.773  -0.153  -5.171
  224   2HD1  ILE  18          2HD1      ILE  18 -11.750   0.522  -6.487
  225   3HD1  ILE  18          3HD1      ILE  18  -9.998   0.826  -6.440
  226    QG1  ILE  18           QG1      ILE  18 -11.630   2.354  -5.138
  227    QG2  ILE  18           QG2      ILE  18 -10.068   1.219  -2.542
  228    QD1  ILE  18           QD1      ILE  18 -10.840   0.398  -6.033
  229    HA   PRO  19           HA       PRO  19  -7.257   5.953  -1.373
  230   1HB   PRO  19          2HB       PRO  19  -8.420   6.649   1.014
  231   2HB   PRO  19          3HB       PRO  19  -8.582   7.584  -0.501
  232   1HG   PRO  19          2HG       PRO  19 -10.494   5.483   0.559
  233   2HG   PRO  19          3HG       PRO  19 -10.895   7.154   0.056
  234   1HD   PRO  19          2HD       PRO  19 -11.240   5.140  -1.639
  235   2HD   PRO  19          3HD       PRO  19 -10.423   6.602  -2.269
  236    QB   PRO  19           QB       PRO  19  -8.501   7.117   0.257
  237    QG   PRO  19           QG       PRO  19 -10.694   6.319   0.307
  238    QD   PRO  19           QD       PRO  19 -10.831   5.871  -1.954
  239    H    SER  20           HN       SER  20  -5.720   4.647  -0.541
  240    HA   SER  20           HA       SER  20  -6.373   2.633   1.530
  241   1HB   SER  20          2HB       SER  20  -4.519   1.977  -0.796
  242   2HB   SER  20          3HB       SER  20  -5.162   0.891   0.440
  243    HG   SER  20           HG       SER  20  -6.772   2.239  -1.466
  244    QB   SER  20           QB       SER  20  -4.841   1.434  -0.178
  245    H    PHE  21           HN       PHE  21  -4.116   1.721   2.217
  246    HA   PHE  21           HA       PHE  21  -2.001   3.811   2.204
  247   1HB   PHE  21          2HB       PHE  21  -2.807   1.974   4.502
  248   2HB   PHE  21          3HB       PHE  21  -1.389   3.010   4.489
  249    HD1  PHE  21          2HD       PHE  21  -5.125   2.997   4.514
  250    HD2  PHE  21          1HD       PHE  21  -1.558   5.358   5.018
  251    HE1  PHE  21          2HE       PHE  21  -6.465   4.803   5.553
  252    HE2  PHE  21          1HE       PHE  21  -2.890   7.139   6.117
  253    HZ   PHE  21           HZ       PHE  21  -5.346   6.874   6.365
  254    QB   PHE  21           QB       PHE  21  -2.098   2.492   4.495
  255    QR   PHE  21           QR       PHE  21  -4.009   5.074   5.301
  256    OH   TYR  22           OH       TYR  22   4.177   5.565  -1.465
  257    H    TYR  22           HN       TYR  22   0.166   2.942   2.209
  258    HA   TYR  22           HA       TYR  22   0.535   0.031   1.980
  259   1HB   TYR  22          2HB       TYR  22   1.789   0.177   0.027
  260   2HB   TYR  22          3HB       TYR  22   0.268   0.952  -0.374
  261    HD1  TYR  22           HD2      TYR  22   0.412   3.694   0.164
  262    HD2  TYR  22           HD1      TYR  22   3.766   1.108  -0.718
  263    HE1  TYR  22           HE2      TYR  22   1.728   5.640  -0.498
  264    HE2  TYR  22           HE1      TYR  22   5.069   3.095  -1.435
  265    HH   TYR  22           HH       TYR  22   3.599   6.331  -1.485
  266    QB   TYR  22           QB       TYR  22   1.029   0.565  -0.174
  267    QR   TYR  22           QR       TYR  22   2.744   3.384  -0.622
  268    OH   TYR  23           OH       TYR  23   9.069   0.119   7.665
  269    H    TYR  23           HN       TYR  23   2.977  -0.368   2.041
  270    HA   TYR  23           HA       TYR  23   4.306   1.613   3.845
  271   1HB   TYR  23          2HB       TYR  23   3.866  -0.758   4.609
  272   2HB   TYR  23          3HB       TYR  23   4.999  -1.298   3.394
  273    HD1  TYR  23           HD1      TYR  23   7.411  -0.586   3.510
  274    HD2  TYR  23           HD2      TYR  23   4.637   0.090   6.716
  275    HE1  TYR  23           HE1      TYR  23   9.262  -0.575   5.155
  276    HE2  TYR  23           HE2      TYR  23   6.517   0.515   8.263
  277    HH   TYR  23           HH       TYR  23   9.021   0.953   8.154
  278    QB   TYR  23           QB       TYR  23   4.433  -1.028   4.002
  279    QR   TYR  23           QR       TYR  23   6.957  -0.139   5.911
  280    H    LYS  24           HN       LYS  24   5.675   3.014   2.689
  281    HA   LYS  24           HA       LYS  24   6.783   2.022   0.124
  282   1HB   LYS  24          2HB       LYS  24   6.078   4.396   0.432
  283   2HB   LYS  24          3HB       LYS  24   7.452   4.632   1.517
  284   1HG   LYS  24          2HG       LYS  24   8.934   3.749  -0.376
  285   2HG   LYS  24          3HG       LYS  24   7.521   3.775  -1.425
  286   1HD   LYS  24          2HD       LYS  24   8.743   6.194  -0.015
  287   2HD   LYS  24          3HD       LYS  24   9.045   5.718  -1.698
  288   1HE   LYS  24          2HE       LYS  24   6.626   5.980  -2.224
  289   2HE   LYS  24          3HE       LYS  24   6.334   6.493  -0.553
  290   1HZ   LYS  24          3HZ       LYS  24   7.738   8.386  -0.927
  291   2HZ   LYS  24          1HZ       LYS  24   7.999   7.937  -2.493
  292   3HZ   LYS  24          2HZ       LYS  24   6.493   8.350  -1.993
  293    QB   LYS  24           QB       LYS  24   6.765   4.514   0.975
  294    QG   LYS  24           QG       LYS  24   8.227   3.762  -0.901
  295    QD   LYS  24           QD       LYS  24   8.894   5.956  -0.857
  296    QE   LYS  24           QE       LYS  24   6.480   6.237  -1.388
  297    QZ   LYS  24           QZ       LYS  24   7.410   8.225  -1.804
  298    CH2  TRP  25           CH2      TRP  25  11.992  -3.756   5.518
  299    H    TRP  25           HN       TRP  25   8.181   0.308   0.594
  300    HA   TRP  25           HA       TRP  25   9.869   0.077   2.781
  301   1HB   TRP  25          2HB       TRP  25   9.352  -1.675   1.064
  302   2HB   TRP  25          3HB       TRP  25  10.535  -0.940  -0.004
  303    HD1  TRP  25           HD1      TRP  25  12.924  -1.832   0.228
  304    HE1  TRP  25           HE1      TRP  25  14.326  -3.039   1.981
  305    HE3  TRP  25           HE3      TRP  25   9.349  -2.438   3.805
  306    HZ2  TRP  25           HZ2      TRP  25  13.985  -3.988   4.708
  307    HZ3  TRP  25           HZ3      TRP  25   9.905  -3.451   5.995
  308    HH2  TRP  25           HH2      TRP  25  12.241  -4.166   6.488
  309    QB   TRP  25           QB       TRP  25   9.943  -1.308   0.530
  310    H    LYS  26           HN       LYS  26  10.424   1.958  -0.137
  311    HA   LYS  26           HA       LYS  26  13.179   2.474   0.176
  312   1HB   LYS  26          2HB       LYS  26  11.658   3.044  -1.764
  313   2HB   LYS  26          3HB       LYS  26  11.109   4.453  -0.843
  314   1HG   LYS  26          2HG       LYS  26  13.433   5.312  -0.767
  315   2HG   LYS  26          3HG       LYS  26  14.005   3.851  -1.604
  316   1HD   LYS  26          2HD       LYS  26  12.547   4.387  -3.548
  317   2HD   LYS  26          3HD       LYS  26  12.058   5.899  -2.784
  318   1HE   LYS  26          2HE       LYS  26  14.913   5.114  -3.597
  319   2HE   LYS  26          3HE       LYS  26  13.837   6.155  -4.532
  320   1HZ   LYS  26          2HZ       LYS  26  14.852   6.782  -1.837
  321   2HZ   LYS  26          3HZ       LYS  26  15.398   7.416  -3.247
  322   3HZ   LYS  26          1HZ       LYS  26  13.871   7.744  -2.749
  323    QB   LYS  26           QB       LYS  26  11.383   3.748  -1.304
  324    QG   LYS  26           QG       LYS  26  13.719   4.581  -1.186
  325    QD   LYS  26           QD       LYS  26  12.302   5.143  -3.166
  326    QE   LYS  26           QE       LYS  26  14.375   5.634  -4.065
  327    QZ   LYS  26           QZ       LYS  26  14.707   7.314  -2.611
  328    H    ALA  27           HN       ALA  27  10.327   3.950   1.768
  329    HA   ALA  27           HA       ALA  27  11.995   5.933   3.216
  330   1HB   ALA  27          3HB       ALA  27   9.893   6.696   2.160
  331   2HB   ALA  27          1HB       ALA  27   8.978   5.523   3.137
  332   3HB   ALA  27          2HB       ALA  27   9.847   6.851   3.926
  333    QB   ALA  27           QB       ALA  27   9.573   6.357   3.074
  334    H    LYS  28           HN       LYS  28  10.286   2.928   3.630
  335    HA   LYS  28           HA       LYS  28   9.996   1.490   5.228
  336   1HB   LYS  28          2HB       LYS  28  12.134   2.983   6.774
  337   2HB   LYS  28          3HB       LYS  28  11.331   1.557   7.407
  338   1HG   LYS  28          2HG       LYS  28  12.427   0.110   6.122
  339   2HG   LYS  28          3HG       LYS  28  12.196   1.087   4.680
  340   1HD   LYS  28          2HD       LYS  28  14.066   2.629   5.543
  341   2HD   LYS  28          3HD       LYS  28  14.343   1.429   6.811
  342   1HE   LYS  28          2HE       LYS  28  15.928   1.025   5.033
  343   2HE   LYS  28          3HE       LYS  28  14.762  -0.304   5.029
  344   1HZ   LYS  28          1HZ       LYS  28  14.728   2.043   3.212
  345   2HZ   LYS  28          2HZ       LYS  28  15.209   0.522   2.814
  346   3HZ   LYS  28          3HZ       LYS  28  13.635   0.837   3.163
  347    QB   LYS  28           QB       LYS  28  11.733   2.270   7.090
  348    QG   LYS  28           QG       LYS  28  12.311   0.599   5.401
  349    QD   LYS  28           QD       LYS  28  14.205   2.029   6.177
  350    QE   LYS  28           QE       LYS  28  15.345   0.361   5.031
  351    QZ   LYS  28           QZ       LYS  28  14.524   1.134   3.063
  352    H    GLN  29           HN       GLN  29   8.144   3.494   4.853
  353    HA   GLN  29           HA       GLN  29   6.862   3.486   7.505
  354   1HB   GLN  29          2HB       GLN  29   7.306   6.044   5.902
  355   2HB   GLN  29          3HB       GLN  29   6.155   5.853   7.241
  356   1HG   GLN  29          2HG       GLN  29   8.034   5.217   8.758
  357   2HG   GLN  29          3HG       GLN  29   9.184   5.506   7.445
  358   1HE2  GLN  29          2HE2      GLN  29   7.448   9.067   8.261
  359   2HE2  GLN  29          1HE2      GLN  29   6.531   7.803   7.468
  360    QB   GLN  29           QB       GLN  29   6.731   5.949   6.572
  361    QG   GLN  29           QG       GLN  29   8.609   5.361   8.101
  362    QE2  GLN  29           QE2      GLN  29   6.990   8.435   7.865
  363    H    CYS  30           HN       CYS  30   4.681   3.842   7.482
  364    HA   CYS  30           HA       CYS  30   3.195   2.865   5.171
  365   1HB   CYS  30          2HB       CYS  30   2.401   3.789   7.938
  366   2HB   CYS  30          3HB       CYS  30   1.269   3.151   6.733
  367    QB   CYS  30           QB       CYS  30   1.835   3.470   7.336
  368    H    LEU  31           HN       LEU  31   1.975   4.135   3.807
  369    HA   LEU  31           HA       LEU  31   1.571   7.002   4.419
  370   1HB   LEU  31          2HB       LEU  31   2.725   5.876   1.835
  371   2HB   LEU  31          3HB       LEU  31   2.421   7.583   2.143
  372    HG   LEU  31           HG       LEU  31   4.511   5.854   3.551
  373   1HD1  LEU  31          3HD1      LEU  31   4.919   6.193   1.164
  374   2HD1  LEU  31          1HD1      LEU  31   4.823   7.952   1.375
  375   3HD1  LEU  31          2HD1      LEU  31   6.131   7.029   2.157
  376   1HD2  LEU  31          3HD2      LEU  31   3.745   7.842   4.918
  377   2HD2  LEU  31          1HD2      LEU  31   5.442   7.900   4.421
  378   3HD2  LEU  31          2HD2      LEU  31   4.226   8.887   3.572
  379    QB   LEU  31           QB       LEU  31   2.573   6.730   1.989
  380    QD1  LEU  31           QD1      LEU  31   5.291   7.058   1.565
  381    QD2  LEU  31           QD2      LEU  31   4.471   8.210   4.303
  382    QQD  LEU  31           QQD      LEU  31   4.881   7.634   2.934
  383    HA   PRO  32           HA       PRO  32  -2.310   5.978   2.367
  384   1HB   PRO  32          2HB       PRO  32  -3.339   8.438   1.908
  385   2HB   PRO  32          3HB       PRO  32  -3.135   7.805   3.560
  386   1HG   PRO  32          2HG       PRO  32  -1.265   9.646   2.041
  387   2HG   PRO  32          3HG       PRO  32  -1.898   9.864   3.701
  388   1HD   PRO  32          2HD       PRO  32   0.561   8.779   3.194
  389   2HD   PRO  32          3HD       PRO  32  -0.448   8.210   4.559
  390    QB   PRO  32           QB       PRO  32  -3.237   8.121   2.734
  391    QG   PRO  32           QG       PRO  32  -1.581   9.755   2.871
  392    QD   PRO  32           QD       PRO  32   0.056   8.494   3.876
  393    H    PHE  33           HN       PHE  33  -3.333   6.125   0.211
  394    HA   PHE  33           HA       PHE  33  -2.437   7.915  -1.789
  395   1HB   PHE  33          2HB       PHE  33  -1.305   6.551  -3.302
  396   2HB   PHE  33          3HB       PHE  33  -0.515   6.167  -1.798
  397    HD1  PHE  33          2HD       PHE  33  -1.687   4.036  -0.473
  398    HD2  PHE  33          1HD       PHE  33  -2.293   4.886  -4.609
  399    HE1  PHE  33          2HE       PHE  33  -1.816   1.596  -0.962
  400    HE2  PHE  33          1HE       PHE  33  -2.344   2.449  -5.112
  401    HZ   PHE  33           HZ       PHE  33  -1.942   0.805  -3.304
  402    QB   PHE  33           QB       PHE  33  -0.910   6.359  -2.550
  403    QR   PHE  33           QR       PHE  33  -2.035   3.242  -2.789
  404    H    ASP  34           HN       ASP  34  -3.496   6.958  -4.066
  405    HA   ASP  34           HA       ASP  34  -6.154   5.811  -3.349
  406   1HB   ASP  34          2HB       ASP  34  -5.402   8.158  -4.982
  407   2HB   ASP  34          3HB       ASP  34  -6.358   6.974  -5.878
  408    QB   ASP  34           QB       ASP  34  -5.880   7.566  -5.430
  409    OH   TYR  35           OH       TYR  35  -5.350  -3.697  -7.099
  410    H    TYR  35           HN       TYR  35  -6.304   3.772  -3.908
  411    HA   TYR  35           HA       TYR  35  -4.417   2.583  -5.816
  412   1HB   TYR  35          2HB       TYR  35  -4.857   1.428  -3.717
  413   2HB   TYR  35          3HB       TYR  35  -6.589   1.456  -4.026
  414    HD1  TYR  35           HD1      TYR  35  -3.553   0.353  -6.021
  415    HD2  TYR  35           HD2      TYR  35  -7.417  -0.668  -4.442
  416    HE1  TYR  35           HE1      TYR  35  -3.595  -1.701  -7.399
  417    HE2  TYR  35           HE2      TYR  35  -7.141  -2.983  -5.353
  418    HH   TYR  35           HH       TYR  35  -6.146  -4.212  -6.948
  419    QB   TYR  35           QB       TYR  35  -5.723   1.442  -3.872
  420    QR   TYR  35           QR       TYR  35  -5.426  -1.250  -5.803
  421    H    SER  36           HN       SER  36  -4.981   1.436  -7.692
  422    HA   SER  36           HA       SER  36  -7.101   2.760  -9.161
  423   1HB   SER  36          2HB       SER  36  -6.296   1.661 -11.044
  424   2HB   SER  36          3HB       SER  36  -4.861   2.171 -10.180
  425    HG   SER  36           HG       SER  36  -4.587   0.041  -9.515
  426    QB   SER  36           QB       SER  36  -5.579   1.916 -10.612
  427    H    GLY  37           HN       GLY  37  -7.008  -0.071  -7.226
  428   1HA   GLY  37          1HA       GLY  37  -8.675  -1.646  -6.808
  429   2HA   GLY  37          2HA       GLY  37  -9.723  -0.773  -7.913
  430    QA   GLY  37           QA       GLY  37  -9.199  -1.209  -7.361
  431    H    CYS  38           HN       CYS  38  -6.617  -1.797  -9.207
  432    HA   CYS  38           HA       CYS  38  -7.578  -4.426 -10.084
  433   1HB   CYS  38          2HB       CYS  38  -6.643  -2.352 -12.080
  434   2HB   CYS  38          3HB       CYS  38  -7.203  -3.965 -12.458
  435    QB   CYS  38           QB       CYS  38  -6.923  -3.159 -12.269
  436    H    GLY  39           HN       GLY  39  -5.714  -5.699 -10.621
  437   1HA   GLY  39          1HA       GLY  39  -3.520  -6.344 -10.633
  438   2HA   GLY  39          2HA       GLY  39  -3.371  -4.913 -11.657
  439    QA   GLY  39           QA       GLY  39  -3.445  -5.628 -11.145
  440    H    GLY  40           HN       GLY  40  -4.018  -4.652  -8.145
  441   1HA   GLY  40          1HA       GLY  40  -1.651  -3.129  -7.750
  442   2HA   GLY  40          2HA       GLY  40  -2.761  -3.667  -6.488
  443    QA   GLY  40           QA       GLY  40  -2.206  -3.398  -7.119
  444    H    ASN  41           HN       ASN  41  -1.056  -4.140  -5.045
  445    HA   ASN  41           HA       ASN  41  -0.040  -6.886  -5.424
  446   1HB   ASN  41          2HB       ASN  41   2.053  -6.352  -4.455
  447   2HB   ASN  41          3HB       ASN  41   1.852  -5.363  -5.871
  448   1HD2  ASN  41          2HD2      ASN  41   3.073  -2.738  -3.719
  449   2HD2  ASN  41          1HD2      ASN  41   3.501  -3.880  -4.969
  450    QB   ASN  41           QB       ASN  41   1.952  -5.858  -5.163
  451    QD2  ASN  41           QD2      ASN  41   3.287  -3.309  -4.344
  452    H    ALA  42           HN       ALA  42   1.097  -7.158  -2.906
  453    HA   ALA  42           HA       ALA  42  -1.344  -7.305  -1.241
  454   1HB   ALA  42          2HB       ALA  42   0.106  -9.288  -1.468
  455   2HB   ALA  42          3HB       ALA  42   1.470  -8.374  -0.803
  456   3HB   ALA  42          1HB       ALA  42   0.058  -8.716   0.211
  457    QB   ALA  42           QB       ALA  42   0.544  -8.792  -0.686
  458    H    ASN  43           HN       ASN  43   1.240  -5.052  -1.586
  459    HA   ASN  43           HA       ASN  43   1.467  -4.383   1.272
  460   1HB   ASN  43          2HB       ASN  43   3.369  -4.276  -0.429
  461   2HB   ASN  43          3HB       ASN  43   2.562  -2.876  -1.144
  462   1HD2  ASN  43          2HD2      ASN  43   5.036  -1.444   1.147
  463   2HD2  ASN  43          1HD2      ASN  43   5.042  -2.339  -0.329
  464    QB   ASN  43           QB       ASN  43   2.965  -3.576  -0.786
  465    QD2  ASN  43           QD2      ASN  43   5.039  -1.892   0.409
  466    NH1  ARG  44           NH2      ARG  44  -6.038  -3.843  -2.557
  467    NH2  ARG  44           NH1      ARG  44  -4.388  -5.347  -3.208
  468    H    ARG  44           HN       ARG  44  -1.046  -4.193   1.185
  469    HA   ARG  44           HA       ARG  44  -1.783  -1.378   0.653
  470   1HB   ARG  44          2HB       ARG  44  -1.900  -2.666  -1.482
  471   2HB   ARG  44          3HB       ARG  44  -3.162  -3.664  -0.736
  472   1HG   ARG  44          2HG       ARG  44  -4.626  -1.679  -0.559
  473   2HG   ARG  44          3HG       ARG  44  -3.297  -0.600  -0.974
  474   1HD   ARG  44          2HD       ARG  44  -5.058  -1.286  -2.804
  475   2HD   ARG  44          3HD       ARG  44  -3.359  -1.091  -3.195
  476    HE   ARG  44           HE       ARG  44  -3.011  -3.314  -3.509
  477   1HH1  ARG  44          2HH2      ARG  44  -6.296  -2.892  -2.341
  478   2HH1  ARG  44          1HH2      ARG  44  -6.717  -4.576  -2.414
  479   1HH2  ARG  44          2HH1      ARG  44  -3.392  -5.531  -3.356
  480   2HH2  ARG  44          1HH1      ARG  44  -4.998  -6.137  -3.072
  481    QB   ARG  44           QB       ARG  44  -2.531  -3.165  -1.109
  482    QG   ARG  44           QG       ARG  44  -3.961  -1.139  -0.766
  483    QD   ARG  44           QD       ARG  44  -4.209  -1.188  -3.000
  484    QH1  ARG  44           QH2      ARG  44  -6.507  -3.734  -2.377
  485    QH2  ARG  44           QH1      ARG  44  -4.195  -5.834  -3.214
  486    H    PHE  45           HN       PHE  45  -3.176  -0.708   2.127
  487    HA   PHE  45           HA       PHE  45  -4.629  -2.585   3.975
  488   1HB   PHE  45          2HB       PHE  45  -2.756  -0.304   4.624
  489   2HB   PHE  45          3HB       PHE  45  -3.585  -1.326   5.769
  490    HD1  PHE  45          2HD       PHE  45  -2.911  -3.814   5.924
  491    HD2  PHE  45          1HD       PHE  45  -0.709  -0.971   3.556
  492    HE1  PHE  45          2HE       PHE  45  -0.931  -5.283   6.000
  493    HE2  PHE  45          1HE       PHE  45   1.318  -2.384   3.745
  494    HZ   PHE  45           HZ       PHE  45   1.226  -4.529   4.971
  495    QB   PHE  45           QB       PHE  45  -3.171  -0.815   5.196
  496    QR   PHE  45           QR       PHE  45  -0.808  -3.113   4.806
  497    H    LYS  46           HN       LYS  46  -6.520  -1.775   4.766
  498    HA   LYS  46           HA       LYS  46  -7.518   0.697   3.573
  499   1HB   LYS  46          2HB       LYS  46  -9.581   0.254   4.629
  500   2HB   LYS  46          3HB       LYS  46  -9.043  -1.146   3.719
  501   1HG   LYS  46          2HG       LYS  46  -8.528  -1.048   6.710
  502   2HG   LYS  46          3HG       LYS  46 -10.164  -1.293   6.109
  503   1HD   LYS  46          2HD       LYS  46  -9.152  -3.257   4.694
  504   2HD   LYS  46          3HD       LYS  46  -7.729  -3.061   5.728
  505   1HE   LYS  46          2HE       LYS  46  -8.971  -4.766   6.746
  506   2HE   LYS  46          3HE       LYS  46  -9.183  -3.335   7.758
  507   1HZ   LYS  46          3HZ       LYS  46 -11.345  -3.032   6.723
  508   2HZ   LYS  46          1HZ       LYS  46 -11.123  -4.386   5.807
  509   3HZ   LYS  46          2HZ       LYS  46 -11.212  -4.502   7.444
  510    QB   LYS  46           QB       LYS  46  -9.312  -0.446   4.174
  511    QG   LYS  46           QG       LYS  46  -9.346  -1.171   6.409
  512    QD   LYS  46           QD       LYS  46  -8.440  -3.159   5.211
  513    QE   LYS  46           QE       LYS  46  -9.077  -4.051   7.252
  514    QZ   LYS  46           QZ       LYS  46 -11.226  -3.973   6.658
  515    H    THR  47           HN       THR  47  -5.663  -0.003   6.389
  516    HA   THR  47           HA       THR  47  -6.123   2.799   7.270
  517    HB   THR  47           HB       THR  47  -6.235   2.301   9.584
  518    HG1  THR  47          1HG       THR  47  -6.541   0.004  10.165
  519   1HG2  THR  47          3HG2      THR  47  -8.392   2.306   8.312
  520   2HG2  THR  47          1HG2      THR  47  -8.318   0.536   8.250
  521   3HG2  THR  47          2HG2      THR  47  -8.435   1.360   9.808
  522    QG2  THR  47           QG2      THR  47  -8.381   1.401   8.790
  523    H    ILE  48           HN       ILE  48  -4.430   3.805   8.236
  524    HA   ILE  48           HA       ILE  48  -1.808   2.945   7.707
  525    HB   ILE  48           HB       ILE  48  -2.707   5.314   8.387
  526   1HG1  ILE  48          2HG1      ILE  48  -0.519   5.874   9.643
  527   2HG1  ILE  48          3HG1      ILE  48  -0.086   4.170   9.433
  528   1HG2  ILE  48          2HG2      ILE  48  -3.709   4.493  10.577
  529   2HG2  ILE  48          3HG2      ILE  48  -2.044   4.353  11.193
  530   3HG2  ILE  48          1HG2      ILE  48  -2.673   5.925  10.697
  531   1HD1  ILE  48          1HD1      ILE  48  -0.424   4.501   6.943
  532   2HD1  ILE  48          2HD1      ILE  48  -0.712   6.223   7.272
  533   3HD1  ILE  48          3HD1      ILE  48   0.864   5.509   7.648
  534    QG1  ILE  48           QG1      ILE  48  -0.302   5.022   9.538
  535    QG2  ILE  48           QG2      ILE  48  -2.808   4.924  10.822
  536    QD1  ILE  48           QD1      ILE  48  -0.091   5.411   7.287
  537    H    GLU  49           HN       GLU  49  -3.904   2.353  10.520
  538    HA   GLU  49           HA       GLU  49  -1.759   1.314  12.104
  539   1HB   GLU  49          2HB       GLU  49  -4.595   1.857  12.455
  540   2HB   GLU  49          3HB       GLU  49  -4.325   0.177  12.904
  541   1HG   GLU  49          2HG       GLU  49  -4.139   1.722  14.817
  542   2HG   GLU  49          3HG       GLU  49  -2.631   0.831  14.524
  543    QB   GLU  49           QB       GLU  49  -4.460   1.017  12.679
  544    QG   GLU  49           QG       GLU  49  -3.385   1.276  14.671
  545    H    GLU  50           HN       GLU  50  -4.048  -0.247   9.861
  546    HA   GLU  50           HA       GLU  50  -3.268  -2.905  10.537
  547   1HB   GLU  50          2HB       GLU  50  -5.200  -1.965   9.020
  548   2HB   GLU  50          3HB       GLU  50  -4.026  -2.087   7.724
  549   1HG   GLU  50          2HG       GLU  50  -4.507  -4.312   7.562
  550   2HG   GLU  50          3HG       GLU  50  -4.016  -4.581   9.238
  551    QB   GLU  50           QB       GLU  50  -4.613  -2.026   8.372
  552    QG   GLU  50           QG       GLU  50  -4.261  -4.446   8.400
  553    H    CYS  51           HN       CYS  51  -2.089  -0.573   8.066
  554    HA   CYS  51           HA       CYS  51   0.043  -2.144   7.055
  555   1HB   CYS  51          2HB       CYS  51  -0.629  -0.065   5.942
  556   2HB   CYS  51          3HB       CYS  51  -0.166   0.893   7.341
  557    QB   CYS  51           QB       CYS  51  -0.398   0.414   6.641
  558    NH1  ARG  52           NH2      ARG  52  -0.030   4.929  13.566
  559    NH2  ARG  52           NH1      ARG  52   1.239   6.008  11.974
  560    H    ARG  52           HN       ARG  52   0.146   0.349   9.612
  561    HA   ARG  52           HA       ARG  52   2.815   0.069  10.330
  562   1HB   ARG  52          2HB       ARG  52   1.136   1.817  11.021
  563   2HB   ARG  52          3HB       ARG  52   0.452   0.661  12.169
  564   1HG   ARG  52          2HG       ARG  52   2.551   0.617  13.417
  565   2HG   ARG  52          3HG       ARG  52   3.336   1.661  12.221
  566   1HD   ARG  52          2HD       ARG  52   0.878   2.410  13.854
  567   2HD   ARG  52          3HD       ARG  52   2.519   2.873  14.288
  568    HE   ARG  52           HE       ARG  52   2.485   3.855  11.836
  569   1HH1  ARG  52          2HH2      ARG  52  -0.309   4.069  14.056
  570   2HH1  ARG  52          1HH2      ARG  52  -0.732   5.655  13.572
  571   1HH2  ARG  52          2HH1      ARG  52   2.048   6.048  11.369
  572   2HH2  ARG  52          1HH1      ARG  52   0.650   6.823  12.055
  573    QB   ARG  52           QB       ARG  52   0.794   1.239  11.595
  574    QG   ARG  52           QG       ARG  52   2.943   1.139  12.819
  575    QD   ARG  52           QD       ARG  52   1.698   2.642  14.071
  576    QH1  ARG  52           QH2      ARG  52  -0.520   4.862  13.814
  577    QH2  ARG  52           QH1      ARG  52   1.349   6.436  11.712
  578    NH1  ARG  53           NH2      ARG  53  -3.568  -3.368  14.241
  579    NH2  ARG  53           NH1      ARG  53  -4.849  -4.850  15.474
  580    H    ARG  53           HN       ARG  53  -0.014  -1.746  11.611
  581    HA   ARG  53           HA       ARG  53   1.670  -3.184  13.464
  582   1HB   ARG  53          2HB       ARG  53  -0.667  -2.546  13.826
  583   2HB   ARG  53          3HB       ARG  53  -1.203  -3.758  12.639
  584   1HG   ARG  53          2HG       ARG  53  -0.743  -5.543  14.093
  585   2HG   ARG  53          3HG       ARG  53   0.631  -4.711  14.804
  586   1HD   ARG  53          2HD       ARG  53  -0.660  -4.585  16.599
  587   2HD   ARG  53          3HD       ARG  53  -1.233  -3.101  15.883
  588    HE   ARG  53           HE       ARG  53  -2.656  -5.531  16.456
  589   1HH1  ARG  53          2HH2      ARG  53  -2.661  -2.992  14.006
  590   2HH1  ARG  53          1HH2      ARG  53  -4.372  -3.050  13.720
  591   1HH2  ARG  53          2HH1      ARG  53  -4.934  -5.558  16.189
  592   2HH2  ARG  53          1HH1      ARG  53  -5.690  -4.542  15.007
  593    QB   ARG  53           QB       ARG  53  -0.935  -3.152  13.232
  594    QG   ARG  53           QG       ARG  53  -0.056  -5.127  14.448
  595    QD   ARG  53           QD       ARG  53  -0.947  -3.843  16.241
  596    QH1  ARG  53           QH2      ARG  53  -3.517  -3.021  13.863
  597    QH2  ARG  53           QH1      ARG  53  -5.312  -5.050  15.598
  598    H    THR  54           HN       THR  54   0.711  -3.785  10.124
  599    HA   THR  54           HA       THR  54   1.463  -6.587  10.147
  600    HB   THR  54           HB       THR  54   1.317  -4.557   7.888
  601    HG1  THR  54          1HG       THR  54  -0.664  -4.950   8.868
  602   1HG2  THR  54          3HG2      THR  54   1.516  -7.604   7.800
  603   2HG2  THR  54          1HG2      THR  54   1.150  -6.552   6.424
  604   3HG2  THR  54          2HG2      THR  54   2.735  -6.458   7.196
  605    QG2  THR  54           QG2      THR  54   1.801  -6.871   7.140
  606    H    CYS  55           HN       CYS  55   3.223  -3.533   9.306
  607    HA   CYS  55           HA       CYS  55   5.614  -5.248   8.777
  608   1HB   CYS  55          2HB       CYS  55   4.734  -3.693   7.072
  609   2HB   CYS  55          3HB       CYS  55   5.385  -2.353   8.030
  610    QB   CYS  55           QB       CYS  55   5.060  -3.023   7.551
  611    H    VAL  56           HN       VAL  56   4.667  -2.501  10.751
  612    HA   VAL  56           HA       VAL  56   7.258  -2.445  12.210
  613    HB   VAL  56           HB       VAL  56   4.877  -0.550  12.511
  614   1HG1  VAL  56          1HG1      VAL  56   7.825  -0.242  13.203
  615   2HG1  VAL  56          2HG1      VAL  56   6.634   1.072  13.235
  616   3HG1  VAL  56          3HG1      VAL  56   6.452  -0.272  14.337
  617   1HG2  VAL  56          2HG2      VAL  56   7.226  -0.247  10.603
  618   2HG2  VAL  56          3HG2      VAL  56   5.504  -0.396  10.164
  619   3HG2  VAL  56          1HG2      VAL  56   6.065   1.033  11.019
  620    QG1  VAL  56           QG1      VAL  56   6.970   0.186  13.592
  621    QG2  VAL  56           QG2      VAL  56   6.265   0.130  10.595
  622    QQG  VAL  56           QQG      VAL  56   6.618   0.158  12.093
  623    H    GLY  57           HN       GLY  57   6.802  -2.211  14.694
  624   1HA   GLY  57          1HA       GLY  57   5.539  -2.760  16.626
  625   2HA   GLY  57          2HA       GLY  57   4.450  -3.764  15.656
  626    QA   GLY  57           QA       GLY  57   4.995  -3.262  16.141
   
  Start of MODEL          13
 Raw file had  626 H/Q atoms
  Start of MODEL   13
    1    H    ALA   1           HN       ALA   1   5.807  -8.647   9.842
    2    HA   ALA   1           HA       ALA   1   6.786  -6.646   8.120
    3   1HB   ALA   1          3HB       ALA   1   8.982  -8.270   9.408
    4   2HB   ALA   1          1HB       ALA   1   9.143  -7.206   7.986
    5   3HB   ALA   1          2HB       ALA   1   8.724  -6.517   9.564
    6    QB   ALA   1           QB       ALA   1   8.950  -7.331   8.986
    7    H    ALA   2           HN       ALA   2   6.851  -7.422   6.041
    8    HA   ALA   2           HA       ALA   2   6.518 -10.354   5.625
    9   1HB   ALA   2          1HB       ALA   2   4.244  -9.341   6.005
   10   2HB   ALA   2          2HB       ALA   2   4.573  -8.204   4.678
   11   3HB   ALA   2          3HB       ALA   2   4.461  -9.947   4.349
   12    QB   ALA   2           QB       ALA   2   4.426  -9.164   5.011
   13    H    LYS   3           HN       LYS   3   6.855 -10.973   3.368
   14    HA   LYS   3           HA       LYS   3   8.959  -9.601   2.123
   15   1HB   LYS   3          2HB       LYS   3   7.303 -11.934   1.488
   16   2HB   LYS   3          3HB       LYS   3   7.591 -10.972   0.035
   17   1HG   LYS   3          2HG       LYS   3  10.024 -11.043   0.398
   18   2HG   LYS   3          3HG       LYS   3   9.773 -11.883   1.934
   19   1HD   LYS   3          2HD       LYS   3  10.442 -13.512   0.339
   20   2HD   LYS   3          3HD       LYS   3   8.742 -13.801   0.736
   21   1HE   LYS   3          2HE       LYS   3   8.037 -12.721  -1.386
   22   2HE   LYS   3          3HE       LYS   3   9.718 -12.289  -1.747
   23   1HZ   LYS   3          3HZ       LYS   3  10.209 -14.649  -1.881
   24   2HZ   LYS   3          1HZ       LYS   3   8.636 -15.026  -1.579
   25   3HZ   LYS   3          2HZ       LYS   3   9.041 -14.220  -2.949
   26    QB   LYS   3           QB       LYS   3   7.447 -11.453   0.761
   27    QG   LYS   3           QG       LYS   3   9.899 -11.463   1.166
   28    QD   LYS   3           QD       LYS   3   9.592 -13.657   0.537
   29    QE   LYS   3           QE       LYS   3   8.878 -12.505  -1.567
   30    QZ   LYS   3           QZ       LYS   3   9.295 -14.632  -2.136
   31    OH   TYR   4           OH       TYR   4   1.095  -8.514   5.139
   32    H    TYR   4           HN       TYR   4   5.465  -9.463   1.421
   33    HA   TYR   4           HA       TYR   4   5.682  -7.714  -0.765
   34   1HB   TYR   4          2HB       TYR   4   3.302  -7.288  -0.442
   35   2HB   TYR   4          3HB       TYR   4   3.742  -9.001  -0.364
   36    HD1  TYR   4           HD2      TYR   4   3.074  -6.038   1.898
   37    HD2  TYR   4           HD1      TYR   4   2.733 -10.301   1.299
   38    HE1  TYR   4           HE2      TYR   4   2.093  -6.281   4.135
   39    HE2  TYR   4           HE1      TYR   4   1.511 -10.492   3.436
   40    HH   TYR   4           HH       TYR   4   0.724  -9.385   5.295
   41    QB   TYR   4           QB       TYR   4   3.522  -8.144  -0.403
   42    QR   TYR   4           QR       TYR   4   2.353  -8.278   2.692
   43    H    CYS   5           HN       CYS   5   6.097  -7.013   2.598
   44    HA   CYS   5           HA       CYS   5   5.305  -4.267   2.616
   45   1HB   CYS   5          2HB       CYS   5   5.922  -5.726   4.606
   46   2HB   CYS   5          3HB       CYS   5   7.619  -5.400   4.215
   47    QB   CYS   5           QB       CYS   5   6.771  -5.563   4.411
   48    H    LYS   6           HN       LYS   6   8.036  -5.923   1.244
   49    HA   LYS   6           HA       LYS   6   9.632  -3.538   0.754
   50   1HB   LYS   6          2HB       LYS   6   9.863  -6.421   0.015
   51   2HB   LYS   6          3HB       LYS   6  10.817  -5.210  -0.861
   52   1HG   LYS   6          2HG       LYS   6  11.950  -4.480   0.987
   53   2HG   LYS   6          3HG       LYS   6  10.711  -5.017   2.132
   54   1HD   LYS   6          2HD       LYS   6  12.757  -6.187   2.416
   55   2HD   LYS   6          3HD       LYS   6  11.422  -7.272   2.029
   56   1HE   LYS   6          2HE       LYS   6  13.581  -6.317   0.058
   57   2HE   LYS   6          3HE       LYS   6  13.635  -7.845   0.948
   58   1HZ   LYS   6          3HZ       LYS   6  11.555  -8.454  -0.142
   59   2HZ   LYS   6          1HZ       LYS   6  11.632  -7.095  -1.063
   60   3HZ   LYS   6          2HZ       LYS   6  12.799  -8.244  -1.202
   61    QB   LYS   6           QB       LYS   6  10.340  -5.815  -0.423
   62    QG   LYS   6           QG       LYS   6  11.331  -4.748   1.560
   63    QD   LYS   6           QD       LYS   6  12.090  -6.730   2.223
   64    QE   LYS   6           QE       LYS   6  13.608  -7.081   0.503
   65    QZ   LYS   6           QZ       LYS   6  11.996  -7.931  -0.802
   66    H    LEU   7           HN       LEU   7   6.741  -4.627  -0.798
   67    HA   LEU   7           HA       LEU   7   7.548  -3.867  -3.463
   68   1HB   LEU   7          2HB       LEU   7   4.813  -4.295  -2.231
   69   2HB   LEU   7          3HB       LEU   7   5.154  -4.096  -3.950
   70    HG   LEU   7           HG       LEU   7   6.466  -6.338  -2.386
   71   1HD1  LEU   7          2HD1      LEU   7   3.787  -6.315  -2.403
   72   2HD1  LEU   7          3HD1      LEU   7   4.064  -6.830  -4.084
   73   3HD1  LEU   7          1HD1      LEU   7   4.691  -7.804  -2.780
   74   1HD2  LEU   7          2HD2      LEU   7   5.746  -5.906  -5.324
   75   2HD2  LEU   7          3HD2      LEU   7   7.385  -5.872  -4.628
   76   3HD2  LEU   7          1HD2      LEU   7   6.451  -7.389  -4.658
   77    QB   LEU   7           QB       LEU   7   4.984  -4.195  -3.090
   78    QD1  LEU   7           QD1      LEU   7   4.181  -6.983  -3.089
   79    QD2  LEU   7           QD2      LEU   7   6.527  -6.389  -4.870
   80    QQD  LEU   7           QQD      LEU   7   5.354  -6.686  -3.979
   81    HA   PRO   8           HA       PRO   8   6.910   0.474  -2.805
   82   1HB   PRO   8          2HB       PRO   8   7.083   1.456  -5.342
   83   2HB   PRO   8          3HB       PRO   8   8.423   0.525  -4.620
   84   1HG   PRO   8          2HG       PRO   8   6.203  -0.545  -6.396
   85   2HG   PRO   8          3HG       PRO   8   7.969  -0.682  -6.665
   86   1HD   PRO   8          2HD       PRO   8   6.521  -2.641  -5.421
   87   2HD   PRO   8          3HD       PRO   8   8.200  -2.245  -4.908
   88    QB   PRO   8           QB       PRO   8   7.753   0.991  -4.981
   89    QG   PRO   8           QG       PRO   8   7.086  -0.613  -6.530
   90    QD   PRO   8           QD       PRO   8   7.360  -2.443  -5.165
   91    H    LEU   9           HN       LEU   9   5.620   2.345  -4.139
   92    HA   LEU   9           HA       LEU   9   2.904   2.127  -3.432
   93   1HB   LEU   9          2HB       LEU   9   4.102   4.248  -3.520
   94   2HB   LEU   9          3HB       LEU   9   4.342   4.100  -5.256
   95    HG   LEU   9           HG       LEU   9   2.075   4.490  -5.757
   96   1HD1  LEU   9          1HD1      LEU   9   1.369   4.033  -2.824
   97   2HD1  LEU   9          2HD1      LEU   9   0.289   4.677  -4.060
   98   3HD1  LEU   9          3HD1      LEU   9   0.867   3.024  -4.188
   99   1HD2  LEU   9          3HD2      LEU   9   3.255   6.512  -5.017
  100   2HD2  LEU   9          1HD2      LEU   9   1.541   6.598  -4.585
  101   3HD2  LEU   9          2HD2      LEU   9   2.740   6.215  -3.340
  102    QB   LEU   9           QB       LEU   9   4.222   4.174  -4.388
  103    QD1  LEU   9           QD1      LEU   9   0.842   3.911  -3.691
  104    QD2  LEU   9           QD2      LEU   9   2.512   6.442  -4.314
  105    QQD  LEU   9           QQD      LEU   9   1.677   5.176  -4.002
  106    NH1  ARG  10           NH2      ARG  10   2.296  -2.023 -10.572
  107    NH2  ARG  10           NH1      ARG  10   1.024  -3.742 -11.481
  108    H    ARG  10           HN       ARG  10   1.951   0.392  -4.382
  109    HA   ARG  10           HA       ARG  10   1.880   0.222  -7.304
  110   1HB   ARG  10          2HB       ARG  10   2.472  -1.651  -5.817
  111   2HB   ARG  10          3HB       ARG  10   0.839  -1.644  -5.154
  112   1HG   ARG  10          2HG       ARG  10   1.893  -2.953  -7.495
  113   2HG   ARG  10          3HG       ARG  10   0.332  -3.129  -6.745
  114   1HD   ARG  10          2HD       ARG  10  -0.691  -1.549  -8.179
  115   2HD   ARG  10          3HD       ARG  10   0.817  -0.865  -8.757
  116    HE   ARG  10           HE       ARG  10  -0.365  -3.459  -9.468
  117   1HH1  ARG  10          2HH2      ARG  10   2.480  -1.399  -9.800
  118   2HH1  ARG  10          1HH2      ARG  10   2.962  -2.061 -11.328
  119   1HH2  ARG  10          2HH1      ARG  10   0.262  -4.400 -11.362
  120   2HH2  ARG  10          1HH1      ARG  10   1.633  -3.827 -12.282
  121    QB   ARG  10           QB       ARG  10   1.655  -1.648  -5.485
  122    QG   ARG  10           QG       ARG  10   1.113  -3.041  -7.120
  123    QD   ARG  10           QD       ARG  10   0.063  -1.207  -8.468
  124    QH1  ARG  10           QH2      ARG  10   2.721  -1.730 -10.564
  125    QH2  ARG  10           QH1      ARG  10   0.947  -4.113 -11.822
  126    H    ILE  11           HN       ILE  11   0.526   2.163  -7.561
  127    HA   ILE  11           HA       ILE  11  -2.206   2.223  -6.647
  128    HB   ILE  11           HB       ILE  11  -0.856   3.554  -9.021
  129   1HG1  ILE  11          2HG1      ILE  11  -1.789   4.850  -6.442
  130   2HG1  ILE  11          3HG1      ILE  11  -0.208   4.076  -6.506
  131   1HG2  ILE  11          1HG2      ILE  11  -3.658   3.846  -7.842
  132   2HG2  ILE  11          2HG2      ILE  11  -2.930   5.079  -8.881
  133   3HG2  ILE  11          3HG2      ILE  11  -3.233   3.460  -9.514
  134   1HD1  ILE  11          3HD1      ILE  11  -1.104   6.317  -8.343
  135   2HD1  ILE  11          1HD1      ILE  11  -0.057   6.465  -6.916
  136   3HD1  ILE  11          2HD1      ILE  11   0.494   5.522  -8.320
  137    QG1  ILE  11           QG1      ILE  11  -0.999   4.463  -6.474
  138    QG2  ILE  11           QG2      ILE  11  -3.273   4.128  -8.746
  139    QD1  ILE  11           QD1      ILE  11  -0.223   6.101  -7.860
  140    H    GLY  12           HN       GLY  12  -0.689   1.189  -9.704
  141   1HA   GLY  12          1HA       GLY  12  -1.203  -0.866 -10.776
  142   2HA   GLY  12          2HA       GLY  12  -2.860  -0.833 -10.157
  143    QA   GLY  12           QA       GLY  12  -2.032  -0.850 -10.467
  144    HA   PRO  13           HA       PRO  13  -2.384   1.356 -14.328
  145   1HB   PRO  13          2HB       PRO  13  -2.914  -0.515 -16.203
  146   2HB   PRO  13          3HB       PRO  13  -1.325  -0.419 -15.399
  147   1HG   PRO  13          2HG       PRO  13  -3.637  -2.241 -14.678
  148   2HG   PRO  13          3HG       PRO  13  -1.930  -2.700 -14.956
  149   1HD   PRO  13          2HD       PRO  13  -2.938  -2.220 -12.439
  150   2HD   PRO  13          3HD       PRO  13  -1.253  -1.800 -12.887
  151    QB   PRO  13           QB       PRO  13  -2.119  -0.467 -15.801
  152    QG   PRO  13           QG       PRO  13  -2.783  -2.471 -14.817
  153    QD   PRO  13           QD       PRO  13  -2.096  -2.010 -12.663
  154    H    CYS  14           HN       CYS  14  -4.994  -0.092 -12.497
  155    HA   CYS  14           HA       CYS  14  -6.971   0.531 -14.605
  156   1HB   CYS  14          2HB       CYS  14  -6.935  -0.777 -11.991
  157   2HB   CYS  14          3HB       CYS  14  -8.359   0.166 -12.282
  158    QB   CYS  14           QB       CYS  14  -7.647  -0.306 -12.137
  159    H    LYS  15           HN       LYS  15  -8.702   1.969 -14.090
  160    HA   LYS  15           HA       LYS  15  -7.347   4.561 -13.457
  161   1HB   LYS  15          2HB       LYS  15  -8.856   5.576 -15.036
  162   2HB   LYS  15          3HB       LYS  15  -7.965   4.264 -15.770
  163   1HG   LYS  15          2HG       LYS  15  -9.771   2.924 -16.053
  164   2HG   LYS  15          3HG       LYS  15 -10.636   3.481 -14.618
  165   1HD   LYS  15          2HD       LYS  15 -10.317   5.292 -17.056
  166   2HD   LYS  15          3HD       LYS  15 -11.549   4.044 -16.976
  167   1HE   LYS  15          2HE       LYS  15 -12.584   6.084 -16.275
  168   2HE   LYS  15          3HE       LYS  15 -12.491   4.978 -14.897
  169   1HZ   LYS  15          3HZ       LYS  15 -10.614   7.206 -15.366
  170   2HZ   LYS  15          1HZ       LYS  15 -11.904   7.247 -14.346
  171   3HZ   LYS  15          2HZ       LYS  15 -10.671   6.218 -14.048
  172    QB   LYS  15           QB       LYS  15  -8.411   4.920 -15.403
  173    QG   LYS  15           QG       LYS  15 -10.204   3.203 -15.336
  174    QD   LYS  15           QD       LYS  15 -10.933   4.668 -17.016
  175    QE   LYS  15           QE       LYS  15 -12.538   5.531 -15.586
  176    QZ   LYS  15           QZ       LYS  15 -11.063   6.890 -14.587
  177    NH1  ARG  16           NH2      ARG  16 -13.963   2.550 -11.913
  178    NH2  ARG  16           NH1      ARG  16 -14.360   4.746 -11.284
  179    H    ARG  16           HN       ARG  16  -8.432   3.090 -11.395
  180    HA   ARG  16           HA       ARG  16 -10.883   4.456 -10.458
  181   1HB   ARG  16          2HB       ARG  16  -9.256   2.029  -9.755
  182   2HB   ARG  16          3HB       ARG  16 -10.300   2.725  -8.511
  183   1HG   ARG  16          2HG       ARG  16 -11.341   1.831 -11.231
  184   2HG   ARG  16          3HG       ARG  16 -11.026   0.726  -9.887
  185   1HD   ARG  16          2HD       ARG  16 -13.330   1.214  -9.659
  186   2HD   ARG  16          3HD       ARG  16 -12.472   2.035  -8.376
  187    HE   ARG  16           HE       ARG  16 -13.147   4.053  -9.166
  188   1HH1  ARG  16          2HH2      ARG  16 -13.559   1.650 -11.695
  189   2HH1  ARG  16          1HH2      ARG  16 -14.480   2.653 -12.773
  190   1HH2  ARG  16          2HH1      ARG  16 -14.286   5.490 -10.604
  191   2HH2  ARG  16          1HH1      ARG  16 -14.889   4.914 -12.126
  192    QB   ARG  16           QB       ARG  16  -9.778   2.377  -9.133
  193    QG   ARG  16           QG       ARG  16 -11.184   1.279 -10.559
  194    QD   ARG  16           QD       ARG  16 -12.901   1.625  -9.018
  195    QH1  ARG  16           QH2      ARG  16 -14.020   2.152 -12.234
  196    QH2  ARG  16           QH1      ARG  16 -14.588   5.202 -11.365
  197    H    LYS  17           HN       LYS  17 -10.639   4.892  -8.028
  198    HA   LYS  17           HA       LYS  17  -8.072   5.889  -7.083
  199   1HB   LYS  17          2HB       LYS  17 -10.404   7.796  -7.669
  200   2HB   LYS  17          3HB       LYS  17  -9.103   8.125  -6.527
  201   1HG   LYS  17          2HG       LYS  17  -8.147   9.191  -8.256
  202   2HG   LYS  17          3HG       LYS  17  -7.528   7.587  -8.596
  203   1HD   LYS  17          2HD       LYS  17  -8.296   8.369 -10.689
  204   2HD   LYS  17          3HD       LYS  17  -9.555   7.275 -10.154
  205   1HE   LYS  17          2HE       LYS  17 -11.009   8.927 -10.631
  206   2HE   LYS  17          3HE       LYS  17 -10.515   9.625  -9.087
  207   1HZ   LYS  17          2HZ       LYS  17  -8.859  10.914 -10.312
  208   2HZ   LYS  17          3HZ       LYS  17  -9.405  10.295 -11.736
  209   3HZ   LYS  17          1HZ       LYS  17 -10.389  11.234 -10.815
  210    QB   LYS  17           QB       LYS  17  -9.754   7.961  -7.098
  211    QG   LYS  17           QG       LYS  17  -7.838   8.389  -8.426
  212    QD   LYS  17           QD       LYS  17  -8.926   7.822 -10.422
  213    QE   LYS  17           QE       LYS  17 -10.762   9.276  -9.859
  214    QZ   LYS  17           QZ       LYS  17  -9.551  10.814 -10.954
  215    H    ILE  18           HN       ILE  18  -8.224   4.589  -5.315
  216    HA   ILE  18           HA       ILE  18 -10.649   4.787  -3.591
  217    HB   ILE  18           HB       ILE  18  -8.953   2.328  -4.135
  218   1HG1  ILE  18          2HG1      ILE  18 -11.820   2.951  -4.976
  219   2HG1  ILE  18          3HG1      ILE  18 -10.409   2.855  -6.043
  220   1HG2  ILE  18          1HG2      ILE  18  -9.796   2.436  -1.800
  221   2HG2  ILE  18          2HG2      ILE  18 -11.439   2.733  -2.405
  222   3HG2  ILE  18          3HG2      ILE  18 -10.631   1.179  -2.692
  223   1HD1  ILE  18          3HD1      ILE  18 -10.060   0.467  -5.223
  224   2HD1  ILE  18          1HD1      ILE  18 -11.691   0.567  -4.522
  225   3HD1  ILE  18          2HD1      ILE  18 -11.467   0.762  -6.265
  226    QG1  ILE  18           QG1      ILE  18 -11.114   2.903  -5.509
  227    QG2  ILE  18           QG2      ILE  18 -10.622   2.116  -2.299
  228    QD1  ILE  18           QD1      ILE  18 -11.073   0.599  -5.336
  229    HA   PRO  19           HA       PRO  19  -7.136   6.364  -1.182
  230   1HB   PRO  19          2HB       PRO  19  -8.401   7.013   1.162
  231   2HB   PRO  19          3HB       PRO  19  -8.485   7.993  -0.332
  232   1HG   PRO  19          2HG       PRO  19 -10.470   5.898   0.596
  233   2HG   PRO  19          3HG       PRO  19 -10.823   7.581   0.095
  234   1HD   PRO  19          2HD       PRO  19 -11.097   5.556  -1.631
  235   2HD   PRO  19          3HD       PRO  19 -10.311   7.063  -2.207
  236    QB   PRO  19           QB       PRO  19  -8.443   7.503   0.415
  237    QG   PRO  19           QG       PRO  19 -10.646   6.739   0.345
  238    QD   PRO  19           QD       PRO  19 -10.704   6.310  -1.919
  239    H    SER  20           HN       SER  20  -5.659   5.038  -0.244
  240    HA   SER  20           HA       SER  20  -6.441   3.005   1.734
  241   1HB   SER  20          2HB       SER  20  -4.727   2.206  -0.650
  242   2HB   SER  20          3HB       SER  20  -5.452   1.168   0.585
  243    HG   SER  20           HG       SER  20  -6.897   2.707  -1.308
  244    QB   SER  20           QB       SER  20  -5.089   1.687  -0.033
  245    H    PHE  21           HN       PHE  21  -4.250   1.867   2.329
  246    HA   PHE  21           HA       PHE  21  -2.009   3.829   2.502
  247   1HB   PHE  21          2HB       PHE  21  -3.222   2.120   4.706
  248   2HB   PHE  21          3HB       PHE  21  -1.641   2.882   4.827
  249    HD1  PHE  21          2HD       PHE  21  -5.295   3.539   4.553
  250    HD2  PHE  21          1HD       PHE  21  -1.410   5.298   5.112
  251    HE1  PHE  21          2HE       PHE  21  -6.358   5.663   5.237
  252    HE2  PHE  21          1HE       PHE  21  -2.471   7.393   5.914
  253    HZ   PHE  21           HZ       PHE  21  -4.948   7.598   5.926
  254    QB   PHE  21           QB       PHE  21  -2.432   2.501   4.766
  255    QR   PHE  21           QR       PHE  21  -3.884   5.473   5.204
  256    OH   TYR  22           OH       TYR  22   4.296   5.072  -1.211
  257    H    TYR  22           HN       TYR  22   0.092   2.851   2.425
  258    HA   TYR  22           HA       TYR  22   0.304  -0.069   2.243
  259   1HB   TYR  22          2HB       TYR  22   1.334  -0.061   0.181
  260   2HB   TYR  22          3HB       TYR  22  -0.104   0.880  -0.137
  261    HD1  TYR  22           HD2      TYR  22   0.325   3.555   0.330
  262    HD2  TYR  22           HD1      TYR  22   3.368   0.661  -0.640
  263    HE1  TYR  22           HE2      TYR  22   1.831   5.382  -0.314
  264    HE2  TYR  22           HE1      TYR  22   4.884   2.480  -1.282
  265    HH   TYR  22           HH       TYR  22   3.883   5.929  -1.070
  266    QB   TYR  22           QB       TYR  22   0.615   0.409   0.022
  267    QR   TYR  22           QR       TYR  22   2.602   3.019  -0.476
  268    OH   TYR  23           OH       TYR  23   8.808   0.043   7.844
  269    H    TYR  23           HN       TYR  23   2.715  -0.591   2.175
  270    HA   TYR  23           HA       TYR  23   4.175   1.362   3.910
  271   1HB   TYR  23          2HB       TYR  23   3.821  -1.068   4.598
  272   2HB   TYR  23          3HB       TYR  23   4.999  -1.484   3.366
  273    HD1  TYR  23           HD1      TYR  23   7.373  -0.569   3.567
  274    HD2  TYR  23           HD2      TYR  23   4.472  -0.269   6.709
  275    HE1  TYR  23           HE1      TYR  23   9.169  -0.433   5.262
  276    HE2  TYR  23           HE2      TYR  23   6.250   0.317   8.318
  277    HH   TYR  23           HH       TYR  23   9.676  -0.192   7.514
  278    QB   TYR  23           QB       TYR  23   4.410  -1.276   3.982
  279    QR   TYR  23           QR       TYR  23   6.816  -0.238   5.964
  280    H    LYS  24           HN       LYS  24   5.604   2.702   2.902
  281    HA   LYS  24           HA       LYS  24   6.752   1.855   0.275
  282   1HB   LYS  24          2HB       LYS  24   5.963   4.174   0.586
  283   2HB   LYS  24          3HB       LYS  24   7.161   4.396   1.855
  284   1HG   LYS  24          2HG       LYS  24   8.536   5.088   0.182
  285   2HG   LYS  24          3HG       LYS  24   8.738   3.393  -0.220
  286   1HD   LYS  24          2HD       LYS  24   6.790   3.554  -1.779
  287   2HD   LYS  24          3HD       LYS  24   6.692   5.294  -1.408
  288   1HE   LYS  24          2HE       LYS  24   8.950   5.644  -2.296
  289   2HE   LYS  24          3HE       LYS  24   9.108   3.910  -2.646
  290   1HZ   LYS  24          3HZ       LYS  24   7.121   5.720  -3.865
  291   2HZ   LYS  24          1HZ       LYS  24   8.477   5.157  -4.601
  292   3HZ   LYS  24          2HZ       LYS  24   7.282   4.119  -4.189
  293    QB   LYS  24           QB       LYS  24   6.562   4.285   1.221
  294    QG   LYS  24           QG       LYS  24   8.637   4.241  -0.019
  295    QD   LYS  24           QD       LYS  24   6.741   4.424  -1.594
  296    QE   LYS  24           QE       LYS  24   9.029   4.777  -2.471
  297    QZ   LYS  24           QZ       LYS  24   7.627   4.999  -4.218
  298    CH2  TRP  25           CH2      TRP  25  11.729  -3.970   5.503
  299    H    TRP  25           HN       TRP  25   8.456   0.522   0.443
  300    HA   TRP  25           HA       TRP  25  10.057   0.275   2.840
  301   1HB   TRP  25          2HB       TRP  25   9.480  -1.494   1.175
  302   2HB   TRP  25          3HB       TRP  25  10.697  -0.829   0.085
  303    HD1  TRP  25           HD1      TRP  25  13.147  -1.666   0.492
  304    HE1  TRP  25           HE1      TRP  25  14.358  -3.044   2.246
  305    HE3  TRP  25           HE3      TRP  25   9.291  -2.331   3.768
  306    HZ2  TRP  25           HZ2      TRP  25  13.758  -4.250   4.817
  307    HZ3  TRP  25           HZ3      TRP  25   9.652  -3.559   5.890
  308    HH2  TRP  25           HH2      TRP  25  11.870  -4.530   6.418
  309    QB   TRP  25           QB       TRP  25  10.089  -1.161   0.630
  310    H    LYS  26           HN       LYS  26  10.431   1.892  -0.278
  311    HA   LYS  26           HA       LYS  26  13.130   2.648  -0.072
  312   1HB   LYS  26          2HB       LYS  26  11.424   2.915  -2.037
  313   2HB   LYS  26          3HB       LYS  26  11.009   4.452  -1.259
  314   1HG   LYS  26          2HG       LYS  26  13.847   4.419  -1.370
  315   2HG   LYS  26          3HG       LYS  26  13.335   3.687  -2.894
  316   1HD   LYS  26          2HD       LYS  26  11.839   5.701  -3.270
  317   2HD   LYS  26          3HD       LYS  26  12.493   6.391  -1.762
  318   1HE   LYS  26          2HE       LYS  26  14.829   6.137  -2.808
  319   2HE   LYS  26          3HE       LYS  26  14.025   5.723  -4.330
  320   1HZ   LYS  26          2HZ       LYS  26  12.979   7.907  -4.268
  321   2HZ   LYS  26          3HZ       LYS  26  13.752   8.265  -2.856
  322   3HZ   LYS  26          1HZ       LYS  26  14.615   8.029  -4.231
  323    QB   LYS  26           QB       LYS  26  11.216   3.683  -1.648
  324    QG   LYS  26           QG       LYS  26  13.591   4.053  -2.132
  325    QD   LYS  26           QD       LYS  26  12.166   6.046  -2.516
  326    QE   LYS  26           QE       LYS  26  14.427   5.930  -3.569
  327    QZ   LYS  26           QZ       LYS  26  13.782   8.067  -3.785
  328    H    ALA  27           HN       ALA  27  10.278   3.888   1.571
  329    HA   ALA  27           HA       ALA  27  11.809   6.108   2.845
  330   1HB   ALA  27          2HB       ALA  27   9.648   6.677   1.787
  331   2HB   ALA  27          3HB       ALA  27   8.834   5.502   2.849
  332   3HB   ALA  27          1HB       ALA  27   9.627   6.925   3.543
  333    QB   ALA  27           QB       ALA  27   9.370   6.368   2.726
  334    H    LYS  28           HN       LYS  28  10.306   2.986   3.419
  335    HA   LYS  28           HA       LYS  28  10.056   1.628   5.115
  336   1HB   LYS  28          2HB       LYS  28  12.474   3.092   6.174
  337   2HB   LYS  28          3HB       LYS  28  11.627   1.934   7.192
  338   1HG   LYS  28          2HG       LYS  28  12.488   0.172   6.176
  339   2HG   LYS  28          3HG       LYS  28  11.989   0.737   4.584
  340   1HD   LYS  28          2HD       LYS  28  13.960   2.155   4.401
  341   2HD   LYS  28          3HD       LYS  28  14.516   1.650   6.017
  342   1HE   LYS  28          2HE       LYS  28  14.812  -0.647   5.298
  343   2HE   LYS  28          3HE       LYS  28  13.944  -0.351   3.779
  344   1HZ   LYS  28          3HZ       LYS  28  16.551   0.824   4.469
  345   2HZ   LYS  28          1HZ       LYS  28  16.300  -0.431   3.438
  346   3HZ   LYS  28          2HZ       LYS  28  15.713   1.059   3.069
  347    QB   LYS  28           QB       LYS  28  12.050   2.513   6.683
  348    QG   LYS  28           QG       LYS  28  12.239   0.454   5.380
  349    QD   LYS  28           QD       LYS  28  14.238   1.903   5.209
  350    QE   LYS  28           QE       LYS  28  14.378  -0.499   4.538
  351    QZ   LYS  28           QZ       LYS  28  16.188   0.484   3.659
  352    H    GLN  29           HN       GLN  29   8.042   3.115   4.859
  353    HA   GLN  29           HA       GLN  29   7.041   3.227   7.544
  354   1HB   GLN  29          2HB       GLN  29   8.172   5.418   7.552
  355   2HB   GLN  29          3HB       GLN  29   7.314   5.891   6.076
  356   1HG   GLN  29          2HG       GLN  29   5.219   5.980   7.256
  357   2HG   GLN  29          3HG       GLN  29   5.885   5.107   8.655
  358   1HE2  GLN  29          2HE2      GLN  29   7.157   9.007   8.244
  359   2HE2  GLN  29          1HE2      GLN  29   7.209   7.949   6.846
  360    QB   GLN  29           QB       GLN  29   7.743   5.654   6.814
  361    QG   GLN  29           QG       GLN  29   5.552   5.543   7.955
  362    QE2  GLN  29           QE2      GLN  29   7.183   8.478   7.545
  363    H    CYS  30           HN       CYS  30   4.727   3.637   7.632
  364    HA   CYS  30           HA       CYS  30   3.237   2.721   5.298
  365   1HB   CYS  30          2HB       CYS  30   2.417   3.672   8.044
  366   2HB   CYS  30          3HB       CYS  30   1.293   3.049   6.830
  367    QB   CYS  30           QB       CYS  30   1.855   3.361   7.437
  368    H    LEU  31           HN       LEU  31   2.084   4.003   3.901
  369    HA   LEU  31           HA       LEU  31   1.889   6.923   4.442
  370   1HB   LEU  31          2HB       LEU  31   2.950   5.633   1.908
  371   2HB   LEU  31          3HB       LEU  31   2.683   7.362   2.136
  372    HG   LEU  31           HG       LEU  31   4.763   5.640   3.554
  373   1HD1  LEU  31          3HD1      LEU  31   5.145   6.147   1.116
  374   2HD1  LEU  31          1HD1      LEU  31   5.096   7.869   1.495
  375   3HD1  LEU  31          2HD1      LEU  31   6.373   6.848   2.185
  376   1HD2  LEU  31          2HD2      LEU  31   4.366   8.669   3.673
  377   2HD2  LEU  31          3HD2      LEU  31   4.069   7.555   5.019
  378   3HD2  LEU  31          1HD2      LEU  31   5.707   7.749   4.392
  379    QB   LEU  31           QB       LEU  31   2.817   6.497   2.022
  380    QD1  LEU  31           QD1      LEU  31   5.538   6.955   1.599
  381    QD2  LEU  31           QD2      LEU  31   4.714   7.991   4.361
  382    QQD  LEU  31           QQD      LEU  31   5.126   7.473   2.980
  383    HA   PRO  32           HA       PRO  32  -2.127   6.209   2.515
  384   1HB   PRO  32          2HB       PRO  32  -2.837   8.801   1.906
  385   2HB   PRO  32          3HB       PRO  32  -2.867   8.135   3.552
  386   1HG   PRO  32          2HG       PRO  32  -0.742   9.849   2.268
  387   2HG   PRO  32          3HG       PRO  32  -1.413   9.970   3.921
  388   1HD   PRO  32          2HD       PRO  32   0.976   8.747   3.334
  389   2HD   PRO  32          3HD       PRO  32  -0.067   8.218   4.686
  390    QB   PRO  32           QB       PRO  32  -2.852   8.468   2.729
  391    QG   PRO  32           QG       PRO  32  -1.078   9.910   3.094
  392    QD   PRO  32           QD       PRO  32   0.455   8.482   4.010
  393    H    PHE  33           HN       PHE  33  -3.165   6.300   0.399
  394    HA   PHE  33           HA       PHE  33  -2.097   7.823  -1.769
  395   1HB   PHE  33          2HB       PHE  33  -1.299   6.138  -3.202
  396   2HB   PHE  33          3HB       PHE  33  -0.438   5.887  -1.700
  397    HD1  PHE  33          2HD       PHE  33  -1.875   4.209   0.005
  398    HD2  PHE  33          1HD       PHE  33  -2.074   4.175  -4.299
  399    HE1  PHE  33          2HE       PHE  33  -2.303   1.768   0.008
  400    HE2  PHE  33          1HE       PHE  33  -2.224   1.699  -4.265
  401    HZ   PHE  33           HZ       PHE  33  -2.265   0.504  -2.051
  402    QB   PHE  33           QB       PHE  33  -0.868   6.012  -2.451
  403    QR   PHE  33           QR       PHE  33  -2.119   2.963  -2.138
  404    H    ASP  34           HN       ASP  34  -3.275   6.894  -3.916
  405    HA   ASP  34           HA       ASP  34  -6.035   5.967  -3.247
  406   1HB   ASP  34          2HB       ASP  34  -4.965   7.926  -5.285
  407   2HB   ASP  34          3HB       ASP  34  -6.277   6.845  -5.756
  408    QB   ASP  34           QB       ASP  34  -5.621   7.386  -5.521
  409    OH   TYR  35           OH       TYR  35  -5.487  -3.876  -6.418
  410    H    TYR  35           HN       TYR  35  -6.112   3.818  -3.639
  411    HA   TYR  35           HA       TYR  35  -4.279   2.513  -5.541
  412   1HB   TYR  35          2HB       TYR  35  -4.882   1.371  -3.467
  413   2HB   TYR  35          3HB       TYR  35  -6.590   1.553  -3.835
  414    HD1  TYR  35           HD1      TYR  35  -3.695   0.243  -5.904
  415    HD2  TYR  35           HD2      TYR  35  -7.203  -0.693  -3.755
  416    HE1  TYR  35           HE1      TYR  35  -3.836  -1.896  -7.140
  417    HE2  TYR  35           HE2      TYR  35  -7.247  -2.968  -4.781
  418    HH   TYR  35           HH       TYR  35  -6.339  -4.279  -6.650
  419    QB   TYR  35           QB       TYR  35  -5.736   1.462  -3.651
  420    QR   TYR  35           QR       TYR  35  -5.496  -1.329  -5.395
  421    H    SER  36           HN       SER  36  -5.152   1.238  -7.356
  422    HA   SER  36           HA       SER  36  -7.483   2.486  -8.612
  423   1HB   SER  36          2HB       SER  36  -7.000   1.135 -10.503
  424   2HB   SER  36          3HB       SER  36  -5.512   1.947  -9.977
  425    HG   SER  36           HG       SER  36  -4.756   0.020  -9.217
  426    QB   SER  36           QB       SER  36  -6.256   1.541 -10.240
  427    H    GLY  37           HN       GLY  37  -6.585  -0.912  -8.268
  428   1HA   GLY  37          1HA       GLY  37  -8.683  -2.120  -6.815
  429   2HA   GLY  37          2HA       GLY  37  -9.345  -1.731  -8.407
  430    QA   GLY  37           QA       GLY  37  -9.014  -1.925  -7.611
  431    H    CYS  38           HN       CYS  38  -7.170  -1.992 -10.048
  432    HA   CYS  38           HA       CYS  38  -7.028  -4.959 -10.188
  433   1HB   CYS  38          2HB       CYS  38  -6.370  -3.067 -12.413
  434   2HB   CYS  38          3HB       CYS  38  -6.987  -4.705 -12.538
  435    QB   CYS  38           QB       CYS  38  -6.679  -3.886 -12.476
  436    H    GLY  39           HN       GLY  39  -5.000  -5.897 -10.980
  437   1HA   GLY  39          1HA       GLY  39  -2.736  -6.088 -11.234
  438   2HA   GLY  39          2HA       GLY  39  -2.699  -4.354 -11.549
  439    QA   GLY  39           QA       GLY  39  -2.717  -5.221 -11.392
  440    H    GLY  40           HN       GLY  40  -3.951  -4.319  -8.517
  441   1HA   GLY  40          1HA       GLY  40  -1.735  -3.342  -7.196
  442   2HA   GLY  40          2HA       GLY  40  -3.092  -3.969  -6.410
  443    QA   GLY  40           QA       GLY  40  -2.413  -3.656  -6.803
  444    H    ASN  41           HN       ASN  41  -0.788  -4.278  -5.192
  445    HA   ASN  41           HA       ASN  41   0.193  -7.068  -5.654
  446   1HB   ASN  41          2HB       ASN  41   2.168  -6.305  -4.541
  447   2HB   ASN  41          3HB       ASN  41   1.834  -5.268  -5.920
  448   1HD2  ASN  41          2HD2      ASN  41   2.687  -2.717  -3.505
  449   2HD2  ASN  41          1HD2      ASN  41   3.380  -3.794  -4.693
  450    QB   ASN  41           QB       ASN  41   2.001  -5.786  -5.231
  451    QD2  ASN  41           QD2      ASN  41   3.034  -3.255  -4.099
  452    H    ALA  42           HN       ALA  42   1.356  -7.242  -2.941
  453    HA   ALA  42           HA       ALA  42  -1.204  -7.532  -1.362
  454   1HB   ALA  42          2HB       ALA  42   1.500  -8.878  -1.069
  455   2HB   ALA  42          3HB       ALA  42   0.090  -9.143  -0.018
  456   3HB   ALA  42          1HB       ALA  42   0.022  -9.599  -1.729
  457    QB   ALA  42           QB       ALA  42   0.537  -9.207  -0.939
  458    H    ASN  43           HN       ASN  43   0.576  -5.022  -1.752
  459    HA   ASN  43           HA       ASN  43   0.881  -4.365   1.140
  460   1HB   ASN  43          2HB       ASN  43   2.853  -4.255  -0.566
  461   2HB   ASN  43          3HB       ASN  43   2.043  -2.796  -1.197
  462   1HD2  ASN  43          2HD2      ASN  43   4.562  -1.508   1.038
  463   2HD2  ASN  43          1HD2      ASN  43   4.513  -2.310  -0.474
  464    QB   ASN  43           QB       ASN  43   2.448  -3.526  -0.882
  465    QD2  ASN  43           QD2      ASN  43   4.538  -1.909   0.282
  466    NH1  ARG  44           NH2      ARG  44  -2.155  -3.896  -2.791
  467    NH2  ARG  44           NH1      ARG  44  -3.717  -4.926  -4.145
  468    H    ARG  44           HN       ARG  44  -1.605  -4.340   0.975
  469    HA   ARG  44           HA       ARG  44  -2.328  -1.482   0.578
  470   1HB   ARG  44          2HB       ARG  44  -3.657  -3.677  -0.857
  471   2HB   ARG  44          3HB       ARG  44  -4.717  -3.020   0.330
  472   1HG   ARG  44          2HG       ARG  44  -5.392  -1.591  -1.140
  473   2HG   ARG  44          3HG       ARG  44  -4.000  -0.656  -0.640
  474   1HD   ARG  44          2HD       ARG  44  -4.343  -0.747  -3.025
  475   2HD   ARG  44          3HD       ARG  44  -2.789  -1.364  -2.683
  476    HE   ARG  44           HE       ARG  44  -4.910  -2.783  -3.939
  477   1HH1  ARG  44          2HH2      ARG  44  -1.824  -3.112  -2.241
  478   2HH1  ARG  44          1HH2      ARG  44  -1.602  -4.744  -2.837
  479   1HH2  ARG  44          2HH1      ARG  44  -4.528  -4.888  -4.754
  480   2HH2  ARG  44          1HH1      ARG  44  -3.147  -5.773  -4.094
  481    QB   ARG  44           QB       ARG  44  -4.187  -3.349  -0.263
  482    QG   ARG  44           QG       ARG  44  -4.696  -1.124  -0.890
  483    QD   ARG  44           QD       ARG  44  -3.566  -1.056  -2.854
  484    QH1  ARG  44           QH2      ARG  44  -1.713  -3.928  -2.539
  485    QH2  ARG  44           QH1      ARG  44  -3.838  -5.331  -4.424
  486    H    PHE  45           HN       PHE  45  -3.474  -0.693   2.266
  487    HA   PHE  45           HA       PHE  45  -4.797  -2.444   4.286
  488   1HB   PHE  45          2HB       PHE  45  -2.853  -0.167   4.816
  489   2HB   PHE  45          3HB       PHE  45  -3.764  -1.074   6.013
  490    HD1  PHE  45          2HD       PHE  45  -3.389  -3.588   6.157
  491    HD2  PHE  45          1HD       PHE  45  -0.833  -1.078   3.830
  492    HE1  PHE  45          2HE       PHE  45  -1.646  -5.361   6.205
  493    HE2  PHE  45          1HE       PHE  45   0.867  -2.890   3.729
  494    HZ   PHE  45           HZ       PHE  45   0.424  -5.050   4.878
  495    QB   PHE  45           QB       PHE  45  -3.308  -0.620   5.414
  496    QR   PHE  45           QR       PHE  45  -1.250  -3.229   4.980
  497    H    LYS  46           HN       LYS  46  -6.629  -1.428   5.217
  498    HA   LYS  46           HA       LYS  46  -7.708   0.788   3.655
  499   1HB   LYS  46          2HB       LYS  46  -9.122  -1.053   4.378
  500   2HB   LYS  46          3HB       LYS  46  -8.620  -0.802   6.079
  501   1HG   LYS  46          2HG       LYS  46  -9.702   1.247   6.231
  502   2HG   LYS  46          3HG       LYS  46  -9.783   1.427   4.465
  503   1HD   LYS  46          2HD       LYS  46 -12.005   1.059   5.344
  504   2HD   LYS  46          3HD       LYS  46 -11.544  -0.280   4.304
  505   1HE   LYS  46          2HE       LYS  46 -11.366  -0.299   7.371
  506   2HE   LYS  46          3HE       LYS  46 -12.763  -0.881   6.457
  507   1HZ   LYS  46          1HZ       LYS  46 -11.311  -2.510   5.408
  508   2HZ   LYS  46          2HZ       LYS  46 -10.052  -2.036   6.350
  509   3HZ   LYS  46          3HZ       LYS  46 -11.378  -2.697   7.038
  510    QB   LYS  46           QB       LYS  46  -8.871  -0.928   5.229
  511    QG   LYS  46           QG       LYS  46  -9.742   1.337   5.348
  512    QD   LYS  46           QD       LYS  46 -11.774   0.390   4.824
  513    QE   LYS  46           QE       LYS  46 -12.064  -0.590   6.914
  514    QZ   LYS  46           QZ       LYS  46 -10.914  -2.414   6.265
  515    H    THR  47           HN       THR  47  -5.838   0.227   6.595
  516    HA   THR  47           HA       THR  47  -6.175   3.096   7.418
  517    HB   THR  47           HB       THR  47  -6.227   2.388   9.703
  518    HG1  THR  47          1HG       THR  47  -6.260   0.047  10.074
  519   1HG2  THR  47          2HG2      THR  47  -8.438   2.336   8.527
  520   2HG2  THR  47          3HG2      THR  47  -8.191   0.603   8.198
  521   3HG2  THR  47          1HG2      THR  47  -8.322   1.173   9.865
  522    QG2  THR  47           QG2      THR  47  -8.317   1.371   8.863
  523    H    ILE  48           HN       ILE  48  -4.447   3.969   8.583
  524    HA   ILE  48           HA       ILE  48  -1.811   3.073   7.868
  525    HB   ILE  48           HB       ILE  48  -2.603   5.464   8.548
  526   1HG1  ILE  48          2HG1      ILE  48  -0.369   5.922   9.770
  527   2HG1  ILE  48          3HG1      ILE  48  -0.017   4.206   9.533
  528   1HG2  ILE  48          3HG2      ILE  48  -3.632   4.714  10.721
  529   2HG2  ILE  48          1HG2      ILE  48  -1.989   4.414  11.340
  530   3HG2  ILE  48          2HG2      ILE  48  -2.474   6.050  10.877
  531   1HD1  ILE  48          2HD1      ILE  48  -0.333   4.555   7.060
  532   2HD1  ILE  48          3HD1      ILE  48  -0.652   6.273   7.377
  533   3HD1  ILE  48          1HD1      ILE  48   0.936   5.589   7.750
  534    QG1  ILE  48           QG1      ILE  48  -0.193   5.064   9.652
  535    QG2  ILE  48           QG2      ILE  48  -2.698   5.059  10.979
  536    QD1  ILE  48           QD1      ILE  48  -0.016   5.472   7.396
  537    H    GLU  49           HN       GLU  49  -3.984   2.360  10.622
  538    HA   GLU  49           HA       GLU  49  -1.807   1.292  12.193
  539   1HB   GLU  49          2HB       GLU  49  -3.455   0.437  13.730
  540   2HB   GLU  49          3HB       GLU  49  -3.675   2.143  13.364
  541   1HG   GLU  49          2HG       GLU  49  -5.814   1.143  13.573
  542   2HG   GLU  49          3HG       GLU  49  -5.601   1.547  11.873
  543    QB   GLU  49           QB       GLU  49  -3.565   1.290  13.547
  544    QG   GLU  49           QG       GLU  49  -5.707   1.345  12.723
  545    H    GLU  50           HN       GLU  50  -4.132  -0.142   9.902
  546    HA   GLU  50           HA       GLU  50  -3.367  -2.812  10.513
  547   1HB   GLU  50          2HB       GLU  50  -5.470  -1.970   9.391
  548   2HB   GLU  50          3HB       GLU  50  -4.515  -1.658   7.945
  549   1HG   GLU  50          2HG       GLU  50  -4.121  -4.270   8.012
  550   2HG   GLU  50          3HG       GLU  50  -5.350  -4.256   9.256
  551    QB   GLU  50           QB       GLU  50  -4.992  -1.814   8.668
  552    QG   GLU  50           QG       GLU  50  -4.735  -4.263   8.634
  553    H    CYS  51           HN       CYS  51  -2.120  -0.376   8.225
  554    HA   CYS  51           HA       CYS  51  -0.062  -2.089   7.138
  555   1HB   CYS  51          2HB       CYS  51  -0.686   0.017   6.026
  556   2HB   CYS  51          3HB       CYS  51  -0.193   0.945   7.431
  557    QB   CYS  51           QB       CYS  51  -0.439   0.481   6.729
  558    NH1  ARG  52           NH2      ARG  52   3.128   5.504  13.791
  559    NH2  ARG  52           NH1      ARG  52   3.198   5.961  11.519
  560    H    ARG  52           HN       ARG  52   0.127   0.419   9.715
  561    HA   ARG  52           HA       ARG  52   2.788  -0.036  10.369
  562   1HB   ARG  52          2HB       ARG  52   1.281   1.840  11.064
  563   2HB   ARG  52          3HB       ARG  52   0.610   0.793  12.325
  564   1HG   ARG  52          2HG       ARG  52   2.771   0.605  13.399
  565   2HG   ARG  52          3HG       ARG  52   3.602   1.355  12.025
  566   1HD   ARG  52          2HD       ARG  52   1.568   2.810  13.759
  567   2HD   ARG  52          3HD       ARG  52   3.331   2.825  14.003
  568    HE   ARG  52           HE       ARG  52   2.540   3.543  11.295
  569   1HH1  ARG  52          2HH2      ARG  52   2.944   4.854  14.540
  570   2HH1  ARG  52          1HH2      ARG  52   3.387   6.451  14.024
  571   1HH2  ARG  52          2HH1      ARG  52   3.094   5.672  10.557
  572   2HH2  ARG  52          1HH1      ARG  52   3.498   6.910  11.692
  573    QB   ARG  52           QB       ARG  52   0.945   1.316  11.695
  574    QG   ARG  52           QG       ARG  52   3.186   0.980  12.712
  575    QD   ARG  52           QD       ARG  52   2.449   2.817  13.881
  576    QH1  ARG  52           QH2      ARG  52   3.166   5.653  14.282
  577    QH2  ARG  52           QH1      ARG  52   3.296   6.291  11.125
  578    NH1  ARG  53           NH2      ARG  53  -5.382  -5.558  13.238
  579    NH2  ARG  53           NH1      ARG  53  -4.345  -7.157  14.567
  580    H    ARG  53           HN       ARG  53  -0.070  -1.775  11.702
  581    HA   ARG  53           HA       ARG  53   1.522  -3.221  13.623
  582   1HB   ARG  53          2HB       ARG  53  -0.455  -4.448  14.106
  583   2HB   ARG  53          3HB       ARG  53  -0.990  -2.801  13.708
  584   1HG   ARG  53          2HG       ARG  53  -1.374  -3.603  11.370
  585   2HG   ARG  53          3HG       ARG  53  -1.090  -5.263  11.891
  586   1HD   ARG  53          2HD       ARG  53  -3.247  -3.413  13.007
  587   2HD   ARG  53          3HD       ARG  53  -3.451  -4.636  11.727
  588    HE   ARG  53           HE       ARG  53  -2.280  -5.762  14.118
  589   1HH1  ARG  53          2HH2      ARG  53  -5.323  -4.665  12.760
  590   2HH1  ARG  53          1HH2      ARG  53  -6.275  -6.020  13.289
  591   1HH2  ARG  53          2HH1      ARG  53  -3.510  -7.530  14.997
  592   2HH2  ARG  53          1HH1      ARG  53  -5.216  -7.646  14.705
  593    QB   ARG  53           QB       ARG  53  -0.723  -3.625  13.907
  594    QG   ARG  53           QG       ARG  53  -1.232  -4.433  11.630
  595    QD   ARG  53           QD       ARG  53  -3.349  -4.025  12.367
  596    QH1  ARG  53           QH2      ARG  53  -5.799  -5.343  13.024
  597    QH2  ARG  53           QH1      ARG  53  -4.363  -7.588  14.851
  598    H    THR  54           HN       THR  54   0.822  -3.761  10.185
  599    HA   THR  54           HA       THR  54   1.624  -6.559  10.241
  600    HB   THR  54           HB       THR  54   1.120  -4.533   8.041
  601    HG1  THR  54          1HG       THR  54  -0.030  -7.001   8.837
  602   1HG2  THR  54          3HG2      THR  54   2.212  -7.362   7.724
  603   2HG2  THR  54          1HG2      THR  54   1.445  -6.402   6.449
  604   3HG2  THR  54          2HG2      THR  54   2.963  -5.850   7.152
  605    QG2  THR  54           QG2      THR  54   2.207  -6.538   7.108
  606    H    CYS  55           HN       CYS  55   3.239  -3.481   9.225
  607    HA   CYS  55           HA       CYS  55   5.669  -5.104   8.782
  608   1HB   CYS  55          2HB       CYS  55   4.734  -3.228   7.267
  609   2HB   CYS  55          3HB       CYS  55   5.723  -2.198   8.312
  610    QB   CYS  55           QB       CYS  55   5.228  -2.713   7.789
  611    H    VAL  56           HN       VAL  56   4.609  -2.566  10.969
  612    HA   VAL  56           HA       VAL  56   7.118  -2.587  12.548
  613    HB   VAL  56           HB       VAL  56   4.762  -0.632  12.646
  614   1HG1  VAL  56          2HG1      VAL  56   7.612  -0.388  13.681
  615   2HG1  VAL  56          3HG1      VAL  56   6.457   0.954  13.572
  616   3HG1  VAL  56          1HG1      VAL  56   6.110  -0.382  14.644
  617   1HG2  VAL  56          3HG2      VAL  56   7.282  -0.390  10.982
  618   2HG2  VAL  56          1HG2      VAL  56   5.596  -0.453  10.406
  619   3HG2  VAL  56          2HG2      VAL  56   6.153   0.939  11.319
  620    QG1  VAL  56           QG1      VAL  56   6.726   0.061  13.966
  621    QG2  VAL  56           QG2      VAL  56   6.344   0.032  10.903
  622    QQG  VAL  56           QQG      VAL  56   6.535   0.047  12.434
  623    H    GLY  57           HN       GLY  57   6.394  -2.302  15.044
  624   1HA   GLY  57          1HA       GLY  57   5.143  -2.957  16.869
  625   2HA   GLY  57          2HA       GLY  57   3.840  -3.500  15.801
  626    QA   GLY  57           QA       GLY  57   4.491  -3.229  16.335
   
  Start of MODEL          14
 Raw file had  626 H/Q atoms
  Start of MODEL   14
    1    H    ALA   1           HN       ALA   1   6.731  -6.483  11.207
    2    HA   ALA   1           HA       ALA   1   6.905  -6.486   8.731
    3   1HB   ALA   1          2HB       ALA   1   8.851  -6.218   9.944
    4   2HB   ALA   1          3HB       ALA   1   9.101  -7.997   9.945
    5   3HB   ALA   1          1HB       ALA   1   9.036  -7.074   8.405
    6    QB   ALA   1           QB       ALA   1   8.996  -7.096   9.431
    7    H    ALA   2           HN       ALA   2   7.104  -7.460   6.812
    8    HA   ALA   2           HA       ALA   2   6.451 -10.302   6.470
    9   1HB   ALA   2          1HB       ALA   2   4.255  -9.168   6.769
   10   2HB   ALA   2          2HB       ALA   2   4.689  -8.018   5.482
   11   3HB   ALA   2          3HB       ALA   2   4.488  -9.745   5.104
   12    QB   ALA   2           QB       ALA   2   4.477  -8.977   5.785
   13    H    LYS   3           HN       LYS   3   6.603 -10.870   4.186
   14    HA   LYS   3           HA       LYS   3   8.950  -9.720   3.036
   15   1HB   LYS   3          2HB       LYS   3   7.777 -12.135   2.902
   16   2HB   LYS   3          3HB       LYS   3   7.072 -11.507   1.434
   17   1HG   LYS   3          2HG       LYS   3  10.077 -11.403   1.953
   18   2HG   LYS   3          3HG       LYS   3   9.271 -12.843   1.314
   19   1HD   LYS   3          2HD       LYS   3   8.432 -11.614  -0.632
   20   2HD   LYS   3          3HD       LYS   3   9.041 -10.089   0.006
   21   1HE   LYS   3          2HE       LYS   3  10.483 -10.897  -1.772
   22   2HE   LYS   3          3HE       LYS   3  11.358 -10.792  -0.244
   23   1HZ   LYS   3          2HZ       LYS   3  10.272 -13.275  -1.421
   24   2HZ   LYS   3          3HZ       LYS   3  11.842 -12.803  -1.463
   25   3HZ   LYS   3          1HZ       LYS   3  11.144 -13.178  -0.028
   26    QB   LYS   3           QB       LYS   3   7.425 -11.821   2.168
   27    QG   LYS   3           QG       LYS   3   9.674 -12.123   1.634
   28    QD   LYS   3           QD       LYS   3   8.736 -10.851  -0.313
   29    QE   LYS   3           QE       LYS   3  10.920 -10.844  -1.008
   30    QZ   LYS   3           QZ       LYS   3  11.086 -13.085  -0.971
   31    OH   TYR   4           OH       TYR   4   0.322  -9.091   4.789
   32    H    TYR   4           HN       TYR   4   5.539  -9.766   2.023
   33    HA   TYR   4           HA       TYR   4   5.905  -8.242  -0.320
   34   1HB   TYR   4          2HB       TYR   4   3.498  -7.860  -0.200
   35   2HB   TYR   4          3HB       TYR   4   3.973  -9.552  -0.032
   36    HD1  TYR   4           HD2      TYR   4   2.611  -6.587   1.756
   37    HD2  TYR   4           HD1      TYR   4   3.376 -10.827   1.920
   38    HE1  TYR   4           HE2      TYR   4   0.932  -6.823   3.549
   39    HE2  TYR   4           HE1      TYR   4   1.789 -11.036   3.809
   40    HH   TYR   4           HH       TYR   4  -0.233  -8.316   4.901
   41    QB   TYR   4           QB       TYR   4   3.735  -8.706  -0.116
   42    QR   TYR   4           QR       TYR   4   2.177  -8.818   2.758
   43    H    CYS   5           HN       CYS   5   5.906  -7.172   2.937
   44    HA   CYS   5           HA       CYS   5   5.037  -4.488   2.784
   45   1HB   CYS   5          2HB       CYS   5   5.772  -5.690   4.832
   46   2HB   CYS   5          3HB       CYS   5   7.449  -5.535   4.322
   47    QB   CYS   5           QB       CYS   5   6.610  -5.613   4.577
   48    H    LYS   6           HN       LYS   6   7.871  -6.010   1.471
   49    HA   LYS   6           HA       LYS   6   9.358  -3.565   0.998
   50   1HB   LYS   6          2HB       LYS   6   9.842  -6.308  -0.186
   51   2HB   LYS   6          3HB       LYS   6  10.970  -4.934  -0.119
   52   1HG   LYS   6          2HG       LYS   6  10.685  -4.963   2.406
   53   2HG   LYS   6          3HG       LYS   6   9.812  -6.492   2.216
   54   1HD   LYS   6          2HD       LYS   6  12.011  -7.112   0.816
   55   2HD   LYS   6          3HD       LYS   6  12.721  -5.853   1.843
   56   1HE   LYS   6          2HE       LYS   6  11.291  -8.427   2.704
   57   2HE   LYS   6          3HE       LYS   6  13.009  -8.063   2.909
   58   1HZ   LYS   6          1HZ       LYS   6  10.787  -6.652   4.240
   59   2HZ   LYS   6          2HZ       LYS   6  11.777  -7.757   4.940
   60   3HZ   LYS   6          3HZ       LYS   6  12.383  -6.313   4.437
   61    QB   LYS   6           QB       LYS   6  10.406  -5.621  -0.153
   62    QG   LYS   6           QG       LYS   6  10.249  -5.727   2.311
   63    QD   LYS   6           QD       LYS   6  12.366  -6.482   1.329
   64    QE   LYS   6           QE       LYS   6  12.150  -8.245   2.806
   65    QZ   LYS   6           QZ       LYS   6  11.649  -6.907   4.539
   66    H    LEU   7           HN       LEU   7   6.700  -4.961  -0.774
   67    HA   LEU   7           HA       LEU   7   7.621  -4.324  -3.412
   68   1HB   LEU   7          2HB       LEU   7   4.839  -4.589  -2.241
   69   2HB   LEU   7          3HB       LEU   7   5.182  -4.476  -3.964
   70    HG   LEU   7           HG       LEU   7   6.541  -6.654  -2.369
   71   1HD1  LEU   7          2HD1      LEU   7   3.947  -6.628  -1.992
   72   2HD1  LEU   7          3HD1      LEU   7   3.883  -7.172  -3.677
   73   3HD1  LEU   7          1HD1      LEU   7   4.753  -8.134  -2.489
   74   1HD2  LEU   7          2HD2      LEU   7   5.494  -6.449  -5.235
   75   2HD2  LEU   7          3HD2      LEU   7   7.192  -6.276  -4.745
   76   3HD2  LEU   7          1HD2      LEU   7   6.358  -7.834  -4.549
   77    QB   LEU   7           QB       LEU   7   5.011  -4.533  -3.103
   78    QD1  LEU   7           QD1      LEU   7   4.194  -7.311  -2.720
   79    QD2  LEU   7           QD2      LEU   7   6.348  -6.853  -4.843
   80    QQD  LEU   7           QQD      LEU   7   5.271  -7.082  -3.781
   81    HA   PRO   8           HA       PRO   8   7.254   0.043  -3.089
   82   1HB   PRO   8          2HB       PRO   8   7.300   0.885  -5.679
   83   2HB   PRO   8          3HB       PRO   8   8.641  -0.063  -4.978
   84   1HG   PRO   8          2HG       PRO   8   6.291  -1.118  -6.585
   85   2HG   PRO   8          3HG       PRO   8   8.031  -1.377  -6.914
   86   1HD   PRO   8          2HD       PRO   8   6.553  -3.191  -5.508
   87   2HD   PRO   8          3HD       PRO   8   8.254  -2.837  -5.063
   88    QB   PRO   8           QB       PRO   8   7.971   0.411  -5.328
   89    QG   PRO   8           QG       PRO   8   7.161  -1.248  -6.749
   90    QD   PRO   8           QD       PRO   8   7.404  -3.014  -5.286
   91    H    LEU   9           HN       LEU   9   6.023   1.998  -4.195
   92    HA   LEU   9           HA       LEU   9   3.247   1.914  -3.684
   93   1HB   LEU   9          2HB       LEU   9   4.534   4.012  -3.810
   94   2HB   LEU   9          3HB       LEU   9   4.870   3.734  -5.515
   95    HG   LEU   9           HG       LEU   9   2.550   4.041  -6.122
   96   1HD1  LEU   9          2HD1      LEU   9   1.984   4.220  -3.132
   97   2HD1  LEU   9          3HD1      LEU   9   0.867   4.778  -4.374
   98   3HD1  LEU   9          1HD1      LEU   9   1.284   3.072  -4.276
   99   1HD2  LEU   9          3HD2      LEU   9   3.983   6.054  -5.789
  100   2HD2  LEU   9          1HD2      LEU   9   2.263   6.379  -5.521
  101   3HD2  LEU   9          2HD2      LEU   9   3.355   6.201  -4.133
  102    QB   LEU   9           QB       LEU   9   4.702   3.873  -4.663
  103    QD1  LEU   9           QD1      LEU   9   1.378   4.023  -3.928
  104    QD2  LEU   9           QD2      LEU   9   3.200   6.211  -5.147
  105    QQD  LEU   9           QQD      LEU   9   2.289   5.117  -4.538
  106    NH1  ARG  10           NH2      ARG  10   2.536  -1.246 -10.875
  107    NH2  ARG  10           NH1      ARG  10   0.715  -2.387 -11.749
  108    H    ARG  10           HN       ARG  10   1.618   1.108  -4.834
  109    HA   ARG  10           HA       ARG  10   2.051   0.162  -7.626
  110   1HB   ARG  10          2HB       ARG  10   2.724  -1.507  -5.901
  111   2HB   ARG  10          3HB       ARG  10   1.101  -1.402  -5.192
  112   1HG   ARG  10          2HG       ARG  10   1.088  -3.341  -6.573
  113   2HG   ARG  10          3HG       ARG  10   0.200  -2.089  -7.420
  114   1HD   ARG  10          2HD       ARG  10   2.835  -1.823  -8.352
  115   2HD   ARG  10          3HD       ARG  10   2.602  -3.555  -8.209
  116    HE   ARG  10           HE       ARG  10   0.394  -3.223  -9.478
  117   1HH1  ARG  10          2HH2      ARG  10   3.131  -1.021 -10.093
  118   2HH1  ARG  10          1HH2      ARG  10   2.737  -0.812 -11.763
  119   1HH2  ARG  10          2HH1      ARG  10  -0.070  -3.008 -11.580
  120   2HH2  ARG  10          1HH1      ARG  10   0.878  -2.017 -12.675
  121    QB   ARG  10           QB       ARG  10   1.912  -1.455  -5.546
  122    QG   ARG  10           QG       ARG  10   0.644  -2.715  -6.997
  123    QD   ARG  10           QD       ARG  10   2.719  -2.689  -8.280
  124    QH1  ARG  10           QH2      ARG  10   2.934  -0.916 -10.928
  125    QH2  ARG  10           QH1      ARG  10   0.404  -2.513 -12.128
  126    H    ILE  11           HN       ILE  11   0.774   2.118  -7.935
  127    HA   ILE  11           HA       ILE  11  -1.879   2.378  -6.943
  128    HB   ILE  11           HB       ILE  11  -0.636   3.561  -9.429
  129   1HG1  ILE  11          2HG1      ILE  11   0.133   3.898  -6.720
  130   2HG1  ILE  11          3HG1      ILE  11   0.585   4.891  -8.083
  131   1HG2  ILE  11          3HG2      ILE  11  -3.139   4.303  -7.847
  132   2HG2  ILE  11          1HG2      ILE  11  -2.396   5.339  -9.084
  133   3HG2  ILE  11          2HG2      ILE  11  -3.052   3.763  -9.521
  134   1HD1  ILE  11          1HD1      ILE  11  -1.876   5.351  -6.395
  135   2HD1  ILE  11          2HD1      ILE  11  -0.311   6.094  -6.071
  136   3HD1  ILE  11          3HD1      ILE  11  -1.181   6.483  -7.564
  137    QG1  ILE  11           QG1      ILE  11   0.359   4.395  -7.401
  138    QG2  ILE  11           QG2      ILE  11  -2.862   4.468  -8.817
  139    QD1  ILE  11           QD1      ILE  11  -1.123   5.976  -6.676
  140    H    GLY  12           HN       GLY  12  -0.586   0.819  -9.846
  141   1HA   GLY  12          1HA       GLY  12  -1.431  -1.075 -10.824
  142   2HA   GLY  12          2HA       GLY  12  -2.979  -0.909 -10.006
  143    QA   GLY  12           QA       GLY  12  -2.205  -0.992 -10.415
  144    HA   PRO  13           HA       PRO  13  -2.653   1.007 -14.382
  145   1HB   PRO  13          2HB       PRO  13  -3.221  -0.952 -16.173
  146   2HB   PRO  13          3HB       PRO  13  -1.647  -0.863 -15.339
  147   1HG   PRO  13          2HG       PRO  13  -4.038  -2.565 -14.561
  148   2HG   PRO  13          3HG       PRO  13  -2.346  -3.098 -14.798
  149   1HD   PRO  13          2HD       PRO  13  -3.353  -2.447 -12.331
  150   2HD   PRO  13          3HD       PRO  13  -1.658  -2.118 -12.793
  151    QB   PRO  13           QB       PRO  13  -2.434  -0.907 -15.756
  152    QG   PRO  13           QG       PRO  13  -3.192  -2.832 -14.679
  153    QD   PRO  13           QD       PRO  13  -2.506  -2.283 -12.562
  154    H    CYS  14           HN       CYS  14  -5.165   0.221 -12.461
  155    HA   CYS  14           HA       CYS  14  -7.314  -0.038 -14.393
  156   1HB   CYS  14          2HB       CYS  14  -6.955  -0.453 -11.588
  157   2HB   CYS  14          3HB       CYS  14  -8.295   0.673 -11.772
  158    QB   CYS  14           QB       CYS  14  -7.625   0.110 -11.680
  159    H    LYS  15           HN       LYS  15  -9.310   1.656 -13.426
  160    HA   LYS  15           HA       LYS  15  -8.322   4.425 -13.716
  161   1HB   LYS  15          2HB       LYS  15 -10.385   3.118 -15.537
  162   2HB   LYS  15          3HB       LYS  15 -10.141   4.864 -15.418
  163   1HG   LYS  15          2HG       LYS  15  -7.944   2.920 -16.242
  164   2HG   LYS  15          3HG       LYS  15  -9.019   3.716 -17.376
  165   1HD   LYS  15          2HD       LYS  15  -8.161   5.815 -17.076
  166   2HD   LYS  15          3HD       LYS  15  -7.565   5.533 -15.448
  167   1HE   LYS  15          2HE       LYS  15  -6.356   4.126 -17.868
  168   2HE   LYS  15          3HE       LYS  15  -5.820   5.727 -17.343
  169   1HZ   LYS  15          3HZ       LYS  15  -5.797   3.389 -15.526
  170   2HZ   LYS  15          1HZ       LYS  15  -4.500   3.884 -16.418
  171   3HZ   LYS  15          2HZ       LYS  15  -5.158   4.859 -15.270
  172    QB   LYS  15           QB       LYS  15 -10.263   3.991 -15.478
  173    QG   LYS  15           QG       LYS  15  -8.482   3.318 -16.809
  174    QD   LYS  15           QD       LYS  15  -7.863   5.674 -16.262
  175    QE   LYS  15           QE       LYS  15  -6.088   4.927 -17.605
  176    QZ   LYS  15           QZ       LYS  15  -5.152   4.044 -15.738
  177    NH1  ARG  16           NH2      ARG  16 -15.418   1.812 -11.183
  178    NH2  ARG  16           NH1      ARG  16 -16.753   1.975  -9.291
  179    H    ARG  16           HN       ARG  16  -8.748   3.795 -11.441
  180    HA   ARG  16           HA       ARG  16 -11.233   5.081 -10.620
  181   1HB   ARG  16          2HB       ARG  16 -10.455   2.231  -9.958
  182   2HB   ARG  16          3HB       ARG  16 -11.137   3.226  -8.661
  183   1HG   ARG  16          2HG       ARG  16 -13.087   3.725 -10.024
  184   2HG   ARG  16          3HG       ARG  16 -12.476   2.699 -11.334
  185   1HD   ARG  16          2HD       ARG  16 -13.015   0.729 -10.228
  186   2HD   ARG  16          3HD       ARG  16 -12.466   1.352  -8.688
  187    HE   ARG  16           HE       ARG  16 -14.552   1.869  -8.077
  188   1HH1  ARG  16          2HH2      ARG  16 -14.492   1.761 -11.580
  189   2HH1  ARG  16          1HH2      ARG  16 -16.214   1.849 -11.801
  190   1HH2  ARG  16          2HH1      ARG  16 -16.853   2.012  -8.287
  191   2HH2  ARG  16          1HH1      ARG  16 -17.590   2.018  -9.854
  192    QB   ARG  16           QB       ARG  16 -10.796   2.728  -9.310
  193    QG   ARG  16           QG       ARG  16 -12.781   3.212 -10.679
  194    QD   ARG  16           QD       ARG  16 -12.741   1.041  -9.458
  195    QH1  ARG  16           QH2      ARG  16 -15.353   1.805 -11.690
  196    QH2  ARG  16           QH1      ARG  16 -17.221   2.015  -9.071
  197    H    LYS  17           HN       LYS  17 -10.923   5.336  -8.057
  198    HA   LYS  17           HA       LYS  17  -8.147   5.668  -7.183
  199   1HB   LYS  17          2HB       LYS  17  -8.656   8.069  -6.569
  200   2HB   LYS  17          3HB       LYS  17  -8.189   7.728  -8.231
  201   1HG   LYS  17          2HG       LYS  17 -10.460   7.891  -9.034
  202   2HG   LYS  17          3HG       LYS  17 -11.113   8.065  -7.413
  203   1HD   LYS  17          2HD       LYS  17  -9.244   9.988  -8.887
  204   2HD   LYS  17          3HD       LYS  17 -10.964  10.233  -8.597
  205   1HE   LYS  17          2HE       LYS  17  -8.658  10.324  -6.600
  206   2HE   LYS  17          3HE       LYS  17  -9.838  11.579  -6.985
  207   1HZ   LYS  17          3HZ       LYS  17 -11.515  10.181  -5.916
  208   2HZ   LYS  17          1HZ       LYS  17 -10.366   9.049  -5.546
  209   3HZ   LYS  17          2HZ       LYS  17 -10.278  10.539  -4.882
  210    QB   LYS  17           QB       LYS  17  -8.423   7.898  -7.400
  211    QG   LYS  17           QG       LYS  17 -10.787   7.978  -8.223
  212    QD   LYS  17           QD       LYS  17 -10.104  10.110  -8.742
  213    QE   LYS  17           QE       LYS  17  -9.248  10.952  -6.792
  214    QZ   LYS  17           QZ       LYS  17 -10.720   9.923  -5.448
  215    H    ILE  18           HN       ILE  18  -8.514   4.339  -5.500
  216    HA   ILE  18           HA       ILE  18 -10.760   4.842  -3.625
  217    HB   ILE  18           HB       ILE  18  -9.245   2.266  -4.212
  218   1HG1  ILE  18          2HG1      ILE  18 -12.131   2.994  -4.885
  219   2HG1  ILE  18          3HG1      ILE  18 -10.801   2.958  -6.055
  220   1HG2  ILE  18          2HG2      ILE  18 -10.064   2.528  -1.827
  221   2HG2  ILE  18          3HG2      ILE  18 -11.705   2.721  -2.463
  222   3HG2  ILE  18          1HG2      ILE  18 -10.820   1.196  -2.685
  223   1HD1  ILE  18          1HD1      ILE  18 -10.431   0.517  -5.433
  224   2HD1  ILE  18          2HD1      ILE  18 -12.005   0.597  -4.602
  225   3HD1  ILE  18          3HD1      ILE  18 -11.900   0.916  -6.340
  226    QG1  ILE  18           QG1      ILE  18 -11.466   2.976  -5.470
  227    QG2  ILE  18           QG2      ILE  18 -10.863   2.148  -2.325
  228    QD1  ILE  18           QD1      ILE  18 -11.445   0.677  -5.459
  229    HA   PRO  19           HA       PRO  19  -7.097   6.043  -1.242
  230   1HB   PRO  19          2HB       PRO  19  -8.211   6.334   1.267
  231   2HB   PRO  19          3HB       PRO  19  -8.281   7.542  -0.049
  232   1HG   PRO  19          2HG       PRO  19 -10.371   5.489   0.685
  233   2HG   PRO  19          3HG       PRO  19 -10.613   7.228   0.343
  234   1HD   PRO  19          2HD       PRO  19 -11.074   5.333  -1.525
  235   2HD   PRO  19          3HD       PRO  19 -10.294   6.876  -2.010
  236    QB   PRO  19           QB       PRO  19  -8.246   6.938   0.609
  237    QG   PRO  19           QG       PRO  19 -10.492   6.359   0.514
  238    QD   PRO  19           QD       PRO  19 -10.684   6.105  -1.767
  239    H    SER  20           HN       SER  20  -5.543   4.877  -0.069
  240    HA   SER  20           HA       SER  20  -6.264   2.663   1.666
  241   1HB   SER  20          2HB       SER  20  -4.422   2.085  -0.708
  242   2HB   SER  20          3HB       SER  20  -4.918   0.971   0.563
  243    HG   SER  20           HG       SER  20  -6.984   2.138  -0.872
  244    QB   SER  20           QB       SER  20  -4.670   1.528  -0.072
  245    H    PHE  21           HN       PHE  21  -3.965   1.739   2.434
  246    HA   PHE  21           HA       PHE  21  -1.913   3.863   2.422
  247   1HB   PHE  21          2HB       PHE  21  -2.625   1.980   4.716
  248   2HB   PHE  21          3HB       PHE  21  -1.244   3.065   4.686
  249    HD1  PHE  21          2HD       PHE  21  -4.992   2.981   4.644
  250    HD2  PHE  21          1HD       PHE  21  -1.470   5.346   5.396
  251    HE1  PHE  21          2HE       PHE  21  -6.397   4.756   5.637
  252    HE2  PHE  21          1HE       PHE  21  -2.879   7.123   6.398
  253    HZ   PHE  21           HZ       PHE  21  -5.343   6.829   6.530
  254    QB   PHE  21           QB       PHE  21  -1.934   2.522   4.701
  255    QR   PHE  21           QR       PHE  21  -3.934   5.052   5.519
  256    OH   TYR  22           OH       TYR  22   4.507   5.455  -1.597
  257    H    TYR  22           HN       TYR  22   0.276   3.014   2.319
  258    HA   TYR  22           HA       TYR  22   0.589   0.105   2.020
  259   1HB   TYR  22          2HB       TYR  22   1.856   0.244   0.109
  260   2HB   TYR  22          3HB       TYR  22   0.394   1.090  -0.326
  261    HD1  TYR  22           HD2      TYR  22   0.726   3.847   0.328
  262    HD2  TYR  22           HD1      TYR  22   3.787   1.028  -0.828
  263    HE1  TYR  22           HE2      TYR  22   2.117   5.697  -0.480
  264    HE2  TYR  22           HE1      TYR  22   5.173   2.892  -1.665
  265    HH   TYR  22           HH       TYR  22   4.002   6.272  -1.560
  266    QB   TYR  22           QB       TYR  22   1.125   0.667  -0.108
  267    QR   TYR  22           QR       TYR  22   2.951   3.366  -0.661
  268    OH   TYR  23           OH       TYR  23   9.217   0.128   7.566
  269    H    TYR  23           HN       TYR  23   2.997  -0.365   2.090
  270    HA   TYR  23           HA       TYR  23   4.328   1.520   3.990
  271   1HB   TYR  23          2HB       TYR  23   3.959  -0.867   4.638
  272   2HB   TYR  23          3HB       TYR  23   5.055  -1.338   3.352
  273    HD1  TYR  23           HD1      TYR  23   7.458  -0.674   3.447
  274    HD2  TYR  23           HD2      TYR  23   4.774  -0.011   6.729
  275    HE1  TYR  23           HE1      TYR  23   9.374  -0.507   4.999
  276    HE2  TYR  23           HE2      TYR  23   6.694   0.413   8.230
  277    HH   TYR  23           HH       TYR  23  10.070   0.002   7.149
  278    QB   TYR  23           QB       TYR  23   4.507  -1.102   3.995
  279    QR   TYR  23           QR       TYR  23   7.075  -0.195   5.851
  280    H    LYS  24           HN       LYS  24   5.518   3.027   2.895
  281    HA   LYS  24           HA       LYS  24   6.558   2.434   0.209
  282   1HB   LYS  24          2HB       LYS  24   5.676   4.632   0.893
  283   2HB   LYS  24          3HB       LYS  24   6.996   4.827   2.048
  284   1HG   LYS  24          2HG       LYS  24   8.622   4.701   0.129
  285   2HG   LYS  24          3HG       LYS  24   7.237   4.538  -0.979
  286   1HD   LYS  24          2HD       LYS  24   6.395   6.781  -0.133
  287   2HD   LYS  24          3HD       LYS  24   7.822   6.884   0.898
  288   1HE   LYS  24          2HE       LYS  24   8.273   8.230  -1.003
  289   2HE   LYS  24          3HE       LYS  24   9.258   6.774  -1.189
  290   1HZ   LYS  24          1HZ       LYS  24   6.648   7.275  -2.492
  291   2HZ   LYS  24          2HZ       LYS  24   8.112   7.417  -3.224
  292   3HZ   LYS  24          3HZ       LYS  24   7.575   5.943  -2.720
  293    QB   LYS  24           QB       LYS  24   6.336   4.730   1.470
  294    QG   LYS  24           QG       LYS  24   7.929   4.620  -0.425
  295    QD   LYS  24           QD       LYS  24   7.108   6.832   0.382
  296    QE   LYS  24           QE       LYS  24   8.766   7.502  -1.096
  297    QZ   LYS  24           QZ       LYS  24   7.445   6.878  -2.812
  298    CH2  TRP  25           CH2      TRP  25  11.961  -3.881   5.220
  299    H    TRP  25           HN       TRP  25   7.953   0.609   0.620
  300    HA   TRP  25           HA       TRP  25   9.774   0.452   2.725
  301   1HB   TRP  25          2HB       TRP  25   9.082  -1.405   1.267
  302   2HB   TRP  25          3HB       TRP  25  10.130  -0.801  -0.016
  303    HD1  TRP  25           HD1      TRP  25  12.686  -1.343   0.169
  304    HE1  TRP  25           HE1      TRP  25  14.192  -2.607   1.770
  305    HE3  TRP  25           HE3      TRP  25   9.208  -2.663   3.618
  306    HZ2  TRP  25           HZ2      TRP  25  13.955  -3.881   4.383
  307    HZ3  TRP  25           HZ3      TRP  25   9.850  -3.852   5.696
  308    HH2  TRP  25           HH2      TRP  25  12.244  -4.379   6.136
  309    QB   TRP  25           QB       TRP  25   9.606  -1.103   0.626
  310    H    LYS  26           HN       LYS  26  10.202   2.038  -0.409
  311    HA   LYS  26           HA       LYS  26  12.999   2.529  -0.059
  312   1HB   LYS  26          2HB       LYS  26  11.646   2.468  -2.182
  313   2HB   LYS  26          3HB       LYS  26  11.097   4.110  -1.827
  314   1HG   LYS  26          2HG       LYS  26  13.413   4.953  -1.981
  315   2HG   LYS  26          3HG       LYS  26  14.047   3.313  -1.897
  316   1HD   LYS  26          2HD       LYS  26  14.324   3.695  -4.139
  317   2HD   LYS  26          3HD       LYS  26  12.800   2.834  -4.101
  318   1HE   LYS  26          2HE       LYS  26  12.389   4.577  -5.603
  319   2HE   LYS  26          3HE       LYS  26  11.657   5.180  -4.110
  320   1HZ   LYS  26          1HZ       LYS  26  14.343   5.880  -5.139
  321   2HZ   LYS  26          2HZ       LYS  26  13.014   6.832  -5.245
  322   3HZ   LYS  26          3HZ       LYS  26  13.666   6.497  -3.772
  323    QB   LYS  26           QB       LYS  26  11.371   3.289  -2.005
  324    QG   LYS  26           QG       LYS  26  13.730   4.133  -1.939
  325    QD   LYS  26           QD       LYS  26  13.562   3.265  -4.120
  326    QE   LYS  26           QE       LYS  26  12.023   4.879  -4.857
  327    QZ   LYS  26           QZ       LYS  26  13.674   6.403  -4.719
  328    H    ALA  27           HN       ALA  27  10.414   3.825   1.669
  329    HA   ALA  27           HA       ALA  27  12.151   6.018   2.727
  330   1HB   ALA  27          2HB       ALA  27  10.006   6.874   1.863
  331   2HB   ALA  27          3HB       ALA  27   9.126   5.717   2.898
  332   3HB   ALA  27          1HB       ALA  27  10.100   7.002   3.632
  333    QB   ALA  27           QB       ALA  27   9.744   6.531   2.798
  334    H    LYS  28           HN       LYS  28  10.375   3.066   3.337
  335    HA   LYS  28           HA       LYS  28  10.096   1.681   5.008
  336   1HB   LYS  28          2HB       LYS  28  12.445   3.100   6.300
  337   2HB   LYS  28          3HB       LYS  28  11.587   1.752   7.048
  338   1HG   LYS  28          2HG       LYS  28  12.084   0.287   5.162
  339   2HG   LYS  28          3HG       LYS  28  12.897   1.616   4.312
  340   1HD   LYS  28          2HD       LYS  28  14.638   1.769   5.877
  341   2HD   LYS  28          3HD       LYS  28  13.778   0.805   7.092
  342   1HE   LYS  28          2HE       LYS  28  14.018  -1.230   5.808
  343   2HE   LYS  28          3HE       LYS  28  14.674  -0.356   4.413
  344   1HZ   LYS  28          3HZ       LYS  28  15.981  -0.555   7.051
  345   2HZ   LYS  28          1HZ       LYS  28  16.390  -1.432   5.722
  346   3HZ   LYS  28          2HZ       LYS  28  16.593   0.198   5.721
  347    QB   LYS  28           QB       LYS  28  12.016   2.426   6.674
  348    QG   LYS  28           QG       LYS  28  12.491   0.952   4.737
  349    QD   LYS  28           QD       LYS  28  14.208   1.287   6.485
  350    QE   LYS  28           QE       LYS  28  14.346  -0.793   5.110
  351    QZ   LYS  28           QZ       LYS  28  16.322  -0.596   6.165
  352    H    GLN  29           HN       GLN  29   8.071   3.236   4.811
  353    HA   GLN  29           HA       GLN  29   7.187   3.467   7.546
  354   1HB   GLN  29          2HB       GLN  29   8.398   5.643   7.181
  355   2HB   GLN  29          3HB       GLN  29   7.270   6.026   5.874
  356   1HG   GLN  29          2HG       GLN  29   5.450   6.253   7.414
  357   2HG   GLN  29          3HG       GLN  29   6.309   5.351   8.680
  358   1HE2  GLN  29          2HE2      GLN  29   7.665   9.192   8.022
  359   2HE2  GLN  29          1HE2      GLN  29   7.218   8.211   6.635
  360    QB   GLN  29           QB       GLN  29   7.834   5.835   6.528
  361    QG   GLN  29           QG       GLN  29   5.880   5.802   8.047
  362    QE2  GLN  29           QE2      GLN  29   7.442   8.701   7.328
  363    H    CYS  30           HN       CYS  30   4.874   3.724   7.727
  364    HA   CYS  30           HA       CYS  30   3.311   2.760   5.430
  365   1HB   CYS  30          2HB       CYS  30   2.543   3.588   8.233
  366   2HB   CYS  30          3HB       CYS  30   1.424   2.953   7.033
  367    QB   CYS  30           QB       CYS  30   1.984   3.270   7.633
  368    H    LEU  31           HN       LEU  31   2.057   4.072   4.121
  369    HA   LEU  31           HA       LEU  31   1.603   6.917   4.866
  370   1HB   LEU  31          2HB       LEU  31   2.677   5.943   2.196
  371   2HB   LEU  31          3HB       LEU  31   2.348   7.616   2.629
  372    HG   LEU  31           HG       LEU  31   4.553   5.867   3.797
  373   1HD1  LEU  31          2HD1      LEU  31   4.757   6.564   1.398
  374   2HD1  LEU  31          3HD1      LEU  31   4.670   8.257   1.902
  375   3HD1  LEU  31          1HD1      LEU  31   6.027   7.244   2.450
  376   1HD2  LEU  31          1HD2      LEU  31   3.806   7.667   5.417
  377   2HD2  LEU  31          2HD2      LEU  31   5.433   7.930   4.782
  378   3HD2  LEU  31          3HD2      LEU  31   4.061   8.865   4.145
  379    QB   LEU  31           QB       LEU  31   2.513   6.779   2.412
  380    QD1  LEU  31           QD1      LEU  31   5.152   7.355   1.917
  381    QD2  LEU  31           QD2      LEU  31   4.433   8.154   4.781
  382    QQD  LEU  31           QQD      LEU  31   4.793   7.755   3.349
  383    HA   PRO  32           HA       PRO  32  -2.289   6.025   2.705
  384   1HB   PRO  32          2HB       PRO  32  -3.174   8.540   2.155
  385   2HB   PRO  32          3HB       PRO  32  -3.134   7.879   3.809
  386   1HG   PRO  32          2HG       PRO  32  -1.091   9.674   2.473
  387   2HG   PRO  32          3HG       PRO  32  -1.822   9.865   4.093
  388   1HD   PRO  32          2HD       PRO  32   0.624   8.725   3.707
  389   2HD   PRO  32          3HD       PRO  32  -0.474   8.147   4.992
  390    QB   PRO  32           QB       PRO  32  -3.154   8.209   2.982
  391    QG   PRO  32           QG       PRO  32  -1.456   9.769   3.283
  392    QD   PRO  32           QD       PRO  32   0.075   8.436   4.349
  393    H    PHE  33           HN       PHE  33  -3.232   6.181   0.507
  394    HA   PHE  33           HA       PHE  33  -2.211   7.926  -1.468
  395   1HB   PHE  33          2HB       PHE  33  -1.129   6.526  -2.974
  396   2HB   PHE  33          3HB       PHE  33  -0.376   6.126  -1.455
  397    HD1  PHE  33          2HD       PHE  33  -1.613   4.030  -0.143
  398    HD2  PHE  33          1HD       PHE  33  -1.833   4.811  -4.357
  399    HE1  PHE  33          2HE       PHE  33  -1.772   1.590  -0.603
  400    HE2  PHE  33          1HE       PHE  33  -1.846   2.375  -4.816
  401    HZ   PHE  33           HZ       PHE  33  -1.701   0.762  -2.947
  402    QB   PHE  33           QB       PHE  33  -0.752   6.326  -2.215
  403    QR   PHE  33           QR       PHE  33  -1.766   3.202  -2.480
  404    H    ASP  34           HN       ASP  34  -3.266   6.917  -3.818
  405    HA   ASP  34           HA       ASP  34  -6.021   5.975  -3.153
  406   1HB   ASP  34          2HB       ASP  34  -5.103   8.209  -4.934
  407   2HB   ASP  34          3HB       ASP  34  -6.108   6.998  -5.714
  408    QB   ASP  34           QB       ASP  34  -5.605   7.604  -5.324
  409    OH   TYR  35           OH       TYR  35  -5.241  -3.085  -7.574
  410    H    TYR  35           HN       TYR  35  -5.975   3.887  -3.600
  411    HA   TYR  35           HA       TYR  35  -4.140   2.714  -5.570
  412   1HB   TYR  35          2HB       TYR  35  -4.680   1.506  -3.496
  413   2HB   TYR  35          3HB       TYR  35  -6.407   1.618  -3.848
  414    HD1  TYR  35           HD1      TYR  35  -3.314   0.571  -5.728
  415    HD2  TYR  35           HD2      TYR  35  -7.370  -0.403  -4.611
  416    HE1  TYR  35           HE1      TYR  35  -3.285  -1.323  -7.285
  417    HE2  TYR  35           HE2      TYR  35  -7.222  -2.475  -5.981
  418    HH   TYR  35           HH       TYR  35  -4.692  -2.878  -8.341
  419    QB   TYR  35           QB       TYR  35  -5.543   1.562  -3.672
  420    QR   TYR  35           QR       TYR  35  -5.298  -0.907  -5.901
  421    H    SER  36           HN       SER  36  -4.892   1.790  -7.631
  422    HA   SER  36           HA       SER  36  -7.095   3.264  -8.732
  423   1HB   SER  36          2HB       SER  36  -6.674   2.122 -10.785
  424   2HB   SER  36          3HB       SER  36  -5.146   2.626 -10.075
  425    HG   SER  36           HG       SER  36  -4.711   0.553  -9.483
  426    QB   SER  36           QB       SER  36  -5.910   2.374 -10.430
  427    H    GLY  37           HN       GLY  37  -6.804  -0.247  -8.903
  428   1HA   GLY  37          1HA       GLY  37  -9.154  -0.973  -7.422
  429   2HA   GLY  37          2HA       GLY  37  -9.608  -0.691  -9.111
  430    QA   GLY  37           QA       GLY  37  -9.381  -0.832  -8.267
  431    H    CYS  38           HN       CYS  38  -6.908  -1.677 -10.089
  432    HA   CYS  38           HA       CYS  38  -7.050  -4.555  -9.517
  433   1HB   CYS  38          2HB       CYS  38  -7.189  -5.131 -11.862
  434   2HB   CYS  38          3HB       CYS  38  -8.644  -4.291 -11.345
  435    QB   CYS  38           QB       CYS  38  -7.916  -4.711 -11.604
  436    H    GLY  39           HN       GLY  39  -5.213  -5.655 -10.796
  437   1HA   GLY  39          1HA       GLY  39  -2.977  -5.994 -10.771
  438   2HA   GLY  39          2HA       GLY  39  -2.908  -4.566 -11.795
  439    QA   GLY  39           QA       GLY  39  -2.942  -5.280 -11.283
  440    H    GLY  40           HN       GLY  40  -3.694  -4.936  -8.329
  441   1HA   GLY  40          1HA       GLY  40  -1.645  -3.009  -7.488
  442   2HA   GLY  40          2HA       GLY  40  -2.865  -3.738  -6.470
  443    QA   GLY  40           QA       GLY  40  -2.255  -3.374  -6.979
  444    H    ASN  41           HN       ASN  41  -1.121  -4.175  -4.930
  445    HA   ASN  41           HA       ASN  41  -0.018  -6.874  -5.360
  446   1HB   ASN  41          2HB       ASN  41   2.102  -6.256  -4.379
  447   2HB   ASN  41          3HB       ASN  41   1.832  -5.314  -5.821
  448   1HD2  ASN  41          2HD2      ASN  41   2.966  -2.581  -3.817
  449   2HD2  ASN  41          1HD2      ASN  41   3.433  -3.788  -4.983
  450    QB   ASN  41           QB       ASN  41   1.967  -5.785  -5.100
  451    QD2  ASN  41           QD2      ASN  41   3.199  -3.185  -4.400
  452    H    ALA  42           HN       ALA  42   1.134  -7.199  -2.906
  453    HA   ALA  42           HA       ALA  42  -1.209  -7.388  -1.149
  454   1HB   ALA  42          3HB       ALA  42   1.640  -8.428  -1.050
  455   2HB   ALA  42          1HB       ALA  42   0.487  -8.663   0.278
  456   3HB   ALA  42          2HB       ALA  42   0.161  -9.343  -1.328
  457    QB   ALA  42           QB       ALA  42   0.763  -8.811  -0.700
  458    H    ASN  43           HN       ASN  43   1.261  -5.017  -1.587
  459    HA   ASN  43           HA       ASN  43   1.539  -4.356   1.275
  460   1HB   ASN  43          2HB       ASN  43   3.445  -4.230  -0.438
  461   2HB   ASN  43          3HB       ASN  43   2.619  -2.834  -1.134
  462   1HD2  ASN  43          2HD2      ASN  43   5.054  -1.324   1.098
  463   2HD2  ASN  43          1HD2      ASN  43   5.020  -2.165  -0.411
  464    QB   ASN  43           QB       ASN  43   3.032  -3.532  -0.786
  465    QD2  ASN  43           QD2      ASN  43   5.037  -1.744   0.344
  466    NH1  ARG  44           NH2      ARG  44  -6.619  -2.843  -2.556
  467    NH2  ARG  44           NH1      ARG  44  -5.630  -4.729  -3.476
  468    H    ARG  44           HN       ARG  44  -1.005  -4.186   1.090
  469    HA   ARG  44           HA       ARG  44  -1.710  -1.337   0.648
  470   1HB   ARG  44          2HB       ARG  44  -1.849  -2.444  -1.556
  471   2HB   ARG  44          3HB       ARG  44  -3.053  -3.568  -0.893
  472   1HG   ARG  44          2HG       ARG  44  -4.596  -1.704  -0.473
  473   2HG   ARG  44          3HG       ARG  44  -3.326  -0.517  -0.816
  474   1HD   ARG  44          2HD       ARG  44  -4.909  -0.804  -2.705
  475   2HD   ARG  44          3HD       ARG  44  -3.227  -1.097  -3.126
  476    HE   ARG  44           HE       ARG  44  -3.549  -3.349  -3.414
  477   1HH1  ARG  44          2HH2      ARG  44  -6.529  -1.899  -2.206
  478   2HH1  ARG  44          1HH2      ARG  44  -7.528  -3.280  -2.546
  479   1HH2  ARG  44          2HH1      ARG  44  -4.803  -5.218  -3.792
  480   2HH2  ARG  44          1HH1      ARG  44  -6.507  -5.226  -3.471
  481    QB   ARG  44           QB       ARG  44  -2.451  -3.006  -1.225
  482    QG   ARG  44           QG       ARG  44  -3.961  -1.111  -0.645
  483    QD   ARG  44           QD       ARG  44  -4.068  -0.951  -2.915
  484    QH1  ARG  44           QH2      ARG  44  -7.029  -2.590  -2.376
  485    QH2  ARG  44           QH1      ARG  44  -5.655  -5.222  -3.631
  486    H    PHE  45           HN       PHE  45  -2.912  -0.743   2.260
  487    HA   PHE  45           HA       PHE  45  -4.486  -2.678   3.936
  488   1HB   PHE  45          2HB       PHE  45  -2.668  -0.397   4.750
  489   2HB   PHE  45          3HB       PHE  45  -3.538  -1.471   5.819
  490    HD1  PHE  45          2HD       PHE  45  -2.879  -3.909   5.982
  491    HD2  PHE  45          1HD       PHE  45  -0.564  -1.085   3.698
  492    HE1  PHE  45          2HE       PHE  45  -0.933  -5.417   6.101
  493    HE2  PHE  45          1HE       PHE  45   1.409  -2.577   3.859
  494    HZ   PHE  45           HZ       PHE  45   1.232  -4.752   5.046
  495    QB   PHE  45           QB       PHE  45  -3.103  -0.934   5.285
  496    QR   PHE  45           QR       PHE  45  -0.742  -3.247   4.910
  497    H    LYS  46           HN       LYS  46  -6.437  -1.899   4.632
  498    HA   LYS  46           HA       LYS  46  -7.473   0.537   3.404
  499   1HB   LYS  46          2HB       LYS  46  -8.604  -1.381   5.482
  500   2HB   LYS  46          3HB       LYS  46  -9.429   0.092   4.933
  501   1HG   LYS  46          2HG       LYS  46  -9.278  -0.671   2.588
  502   2HG   LYS  46          3HG       LYS  46  -8.542  -2.188   3.117
  503   1HD   LYS  46          2HD       LYS  46 -11.095  -1.457   4.505
  504   2HD   LYS  46          3HD       LYS  46 -11.292  -1.665   2.775
  505   1HE   LYS  46          2HE       LYS  46 -10.012  -3.745   4.626
  506   2HE   LYS  46          3HE       LYS  46 -11.721  -3.728   4.167
  507   1HZ   LYS  46          3HZ       LYS  46 -11.064  -3.948   1.870
  508   2HZ   LYS  46          1HZ       LYS  46  -9.472  -4.018   2.291
  509   3HZ   LYS  46          2HZ       LYS  46 -10.505  -5.203   2.772
  510    QB   LYS  46           QB       LYS  46  -9.016  -0.645   5.207
  511    QG   LYS  46           QG       LYS  46  -8.910  -1.429   2.852
  512    QD   LYS  46           QD       LYS  46 -11.194  -1.561   3.640
  513    QE   LYS  46           QE       LYS  46 -10.866  -3.736   4.397
  514    QZ   LYS  46           QZ       LYS  46 -10.347  -4.390   2.311
  515    H    THR  47           HN       THR  47  -5.690  -0.169   6.349
  516    HA   THR  47           HA       THR  47  -6.162   2.656   7.203
  517    HB   THR  47           HB       THR  47  -6.402   2.038   9.467
  518    HG1  THR  47          1HG       THR  47  -6.491  -0.222  10.022
  519   1HG2  THR  47          3HG2      THR  47  -8.472   1.929   8.061
  520   2HG2  THR  47          1HG2      THR  47  -8.237   0.171   7.911
  521   3HG2  THR  47          2HG2      THR  47  -8.524   0.896   9.501
  522    QG2  THR  47           QG2      THR  47  -8.411   0.998   8.491
  523    H    ILE  48           HN       ILE  48  -4.484   3.681   8.220
  524    HA   ILE  48           HA       ILE  48  -1.804   2.828   7.836
  525    HB   ILE  48           HB       ILE  48  -2.734   5.208   8.494
  526   1HG1  ILE  48          2HG1      ILE  48  -0.676   5.711   9.976
  527   2HG1  ILE  48          3HG1      ILE  48  -0.234   4.014   9.760
  528   1HG2  ILE  48          2HG2      ILE  48  -3.952   4.330  10.536
  529   2HG2  ILE  48          3HG2      ILE  48  -2.360   4.158  11.323
  530   3HG2  ILE  48          1HG2      ILE  48  -2.929   5.749  10.806
  531   1HD1  ILE  48          2HD1      ILE  48  -0.259   4.403   7.271
  532   2HD1  ILE  48          3HD1      ILE  48  -0.655   6.109   7.583
  533   3HD1  ILE  48          1HD1      ILE  48   0.893   5.449   8.133
  534    QG1  ILE  48           QG1      ILE  48  -0.455   4.862   9.868
  535    QG2  ILE  48           QG2      ILE  48  -3.080   4.746  10.888
  536    QD1  ILE  48           QD1      ILE  48  -0.007   5.320   7.662
  537    H    GLU  49           HN       GLU  49  -4.098   2.204  10.495
  538    HA   GLU  49           HA       GLU  49  -2.008   1.256  12.200
  539   1HB   GLU  49          2HB       GLU  49  -3.803   0.436  13.656
  540   2HB   GLU  49          3HB       GLU  49  -3.959   2.143  13.229
  541   1HG   GLU  49          2HG       GLU  49  -5.687   1.556  11.535
  542   2HG   GLU  49          3HG       GLU  49  -5.572  -0.150  12.034
  543    QB   GLU  49           QB       GLU  49  -3.881   1.290  13.442
  544    QG   GLU  49           QG       GLU  49  -5.629   0.703  11.784
  545    H    GLU  50           HN       GLU  50  -4.179  -0.377   9.843
  546    HA   GLU  50           HA       GLU  50  -3.316  -2.992  10.586
  547   1HB   GLU  50          2HB       GLU  50  -5.285  -2.424   9.131
  548   2HB   GLU  50          3HB       GLU  50  -4.162  -2.030   7.830
  549   1HG   GLU  50          2HG       GLU  50  -4.830  -4.266   7.402
  550   2HG   GLU  50          3HG       GLU  50  -3.281  -4.507   8.232
  551    QB   GLU  50           QB       GLU  50  -4.724  -2.227   8.481
  552    QG   GLU  50           QG       GLU  50  -4.055  -4.387   7.817
  553    H    CYS  51           HN       CYS  51  -2.050  -0.661   8.126
  554    HA   CYS  51           HA       CYS  51   0.155  -2.232   7.249
  555   1HB   CYS  51          2HB       CYS  51  -0.436  -0.191   6.075
  556   2HB   CYS  51          3HB       CYS  51  -0.019   0.807   7.464
  557    QB   CYS  51           QB       CYS  51  -0.227   0.308   6.770
  558    NH1  ARG  52           NH2      ARG  52   0.657   3.338  15.280
  559    NH2  ARG  52           NH1      ARG  52  -0.585   4.703  13.876
  560    H    ARG  52           HN       ARG  52   0.027   0.223   9.862
  561    HA   ARG  52           HA       ARG  52   2.657  -0.080  10.762
  562   1HB   ARG  52          2HB       ARG  52   1.038   1.698  11.323
  563   2HB   ARG  52          3HB       ARG  52   0.166   0.580  12.378
  564   1HG   ARG  52          2HG       ARG  52   1.578   0.929  14.089
  565   2HG   ARG  52          3HG       ARG  52   2.992   0.615  13.091
  566   1HD   ARG  52          2HD       ARG  52   3.062   2.929  13.998
  567   2HD   ARG  52          3HD       ARG  52   3.054   2.862  12.243
  568    HE   ARG  52           HE       ARG  52   1.062   3.940  12.138
  569   1HH1  ARG  52          2HH2      ARG  52   1.424   2.692  15.398
  570   2HH1  ARG  52          1HH2      ARG  52   0.075   3.554  16.075
  571   1HH2  ARG  52          2HH1      ARG  52  -0.751   5.109  12.967
  572   2HH2  ARG  52          1HH1      ARG  52  -1.209   4.952  14.629
  573    QB   ARG  52           QB       ARG  52   0.602   1.139  11.851
  574    QG   ARG  52           QG       ARG  52   2.285   0.772  13.590
  575    QD   ARG  52           QD       ARG  52   3.058   2.896  13.120
  576    QH1  ARG  52           QH2      ARG  52   0.750   3.123  15.736
  577    QH2  ARG  52           QH1      ARG  52  -0.980   5.031  13.798
  578    NH1  ARG  53           NH2      ARG  53  -2.999  -2.878  17.740
  579    NH2  ARG  53           NH1      ARG  53  -2.826  -4.933  18.795
  580    H    ARG  53           HN       ARG  53  -0.261  -1.907  11.764
  581    HA   ARG  53           HA       ARG  53   1.002  -3.401  13.824
  582   1HB   ARG  53          2HB       ARG  53  -1.566  -3.090  13.142
  583   2HB   ARG  53          3HB       ARG  53  -1.279  -4.537  12.194
  584   1HG   ARG  53          2HG       ARG  53  -1.987  -5.464  14.171
  585   2HG   ARG  53          3HG       ARG  53  -0.255  -5.382  14.557
  586   1HD   ARG  53          2HD       ARG  53  -0.655  -3.189  15.705
  587   2HD   ARG  53          3HD       ARG  53  -2.363  -3.269  15.201
  588    HE   ARG  53           HE       ARG  53  -1.484  -5.564  16.757
  589   1HH1  ARG  53          2HH2      ARG  53  -2.781  -2.281  16.956
  590   2HH1  ARG  53          1HH2      ARG  53  -3.577  -2.507  18.480
  591   1HH2  ARG  53          2HH1      ARG  53  -2.496  -5.888  18.814
  592   2HH2  ARG  53          1HH1      ARG  53  -3.377  -4.601  19.575
  593    QB   ARG  53           QB       ARG  53  -1.422  -3.813  12.668
  594    QG   ARG  53           QG       ARG  53  -1.121  -5.423  14.364
  595    QD   ARG  53           QD       ARG  53  -1.509  -3.229  15.453
  596    QH1  ARG  53           QH2      ARG  53  -3.179  -2.394  17.718
  597    QH2  ARG  53           QH1      ARG  53  -2.937  -5.245  19.194
  598    H    THR  54           HN       THR  54   0.602  -3.942  10.313
  599    HA   THR  54           HA       THR  54   1.489  -6.677  10.395
  600    HB   THR  54           HB       THR  54   1.315  -4.724   8.060
  601    HG1  THR  54          1HG       THR  54  -0.700  -5.043   9.107
  602   1HG2  THR  54          2HG2      THR  54   1.437  -7.776   8.160
  603   2HG2  THR  54          3HG2      THR  54   1.048  -6.826   6.720
  604   3HG2  THR  54          1HG2      THR  54   2.660  -6.708   7.439
  605    QG2  THR  54           QG2      THR  54   1.715  -7.103   7.440
  606    H    CYS  55           HN       CYS  55   3.104  -3.587   9.469
  607    HA   CYS  55           HA       CYS  55   5.533  -5.186   8.858
  608   1HB   CYS  55          2HB       CYS  55   4.553  -3.840   7.109
  609   2HB   CYS  55          3HB       CYS  55   5.081  -2.376   7.965
  610    QB   CYS  55           QB       CYS  55   4.817  -3.108   7.537
  611    H    VAL  56           HN       VAL  56   4.774  -2.198  10.585
  612    HA   VAL  56           HA       VAL  56   7.282  -2.251  12.085
  613    HB   VAL  56           HB       VAL  56   4.819  -0.554  12.591
  614   1HG1  VAL  56          2HG1      VAL  56   7.751  -0.178  13.303
  615   2HG1  VAL  56          3HG1      VAL  56   6.548   1.121  13.375
  616   3HG1  VAL  56          1HG1      VAL  56   6.362  -0.274  14.414
  617   1HG2  VAL  56          3HG2      VAL  56   7.114  -0.028  10.668
  618   2HG2  VAL  56          1HG2      VAL  56   5.389  -0.186  10.249
  619   3HG2  VAL  56          2HG2      VAL  56   5.939   1.198  11.183
  620    QG1  VAL  56           QG1      VAL  56   6.887   0.223  13.697
  621    QG2  VAL  56           QG2      VAL  56   6.147   0.328  10.700
  622    QQG  VAL  56           QQG      VAL  56   6.517   0.276  12.199
  623    H    GLY  57           HN       GLY  57   6.875  -2.166  14.682
  624   1HA   GLY  57          1HA       GLY  57   5.263  -3.179  16.373
  625   2HA   GLY  57          2HA       GLY  57   5.421  -4.637  15.367
  626    QA   GLY  57           QA       GLY  57   5.342  -3.908  15.870
   
  Start of MODEL          15
 Raw file had  626 H/Q atoms
  Start of MODEL   15
    1    H    ALA   1           HN       ALA   1   9.625  -7.699   9.990
    2    HA   ALA   1           HA       ALA   1   7.547  -6.491   9.523
    3   1HB   ALA   1          2HB       ALA   1   9.735  -5.275   9.439
    4   2HB   ALA   1          3HB       ALA   1   9.929  -5.735   7.733
    5   3HB   ALA   1          1HB       ALA   1   8.641  -4.625   8.211
    6    QB   ALA   1           QB       ALA   1   9.435  -5.212   8.461
    7    H    ALA   2           HN       ALA   2   6.866  -8.800   8.167
    8    HA   ALA   2           HA       ALA   2   6.093  -9.837   6.372
    9   1HB   ALA   2          3HB       ALA   2   4.974  -7.064   5.872
   10   2HB   ALA   2          1HB       ALA   2   4.469  -8.517   4.988
   11   3HB   ALA   2          2HB       ALA   2   4.245  -8.422   6.745
   12    QB   ALA   2           QB       ALA   2   4.563  -8.001   5.868
   13    H    LYS   3           HN       LYS   3   6.665 -10.647   4.353
   14    HA   LYS   3           HA       LYS   3   9.113  -9.615   3.298
   15   1HB   LYS   3          2HB       LYS   3   8.052 -12.030   3.191
   16   2HB   LYS   3          3HB       LYS   3   7.313 -11.469   1.709
   17   1HG   LYS   3          2HG       LYS   3  10.004 -10.623   1.480
   18   2HG   LYS   3          3HG       LYS   3  10.135 -12.205   2.228
   19   1HD   LYS   3          2HD       LYS   3   8.641 -11.479  -0.345
   20   2HD   LYS   3          3HD       LYS   3  10.243 -12.195  -0.292
   21   1HE   LYS   3          2HE       LYS   3   7.658 -13.544   0.658
   22   2HE   LYS   3          3HE       LYS   3   8.485 -13.826  -0.873
   23   1HZ   LYS   3          2HZ       LYS   3  10.420 -14.568   0.435
   24   2HZ   LYS   3          3HZ       LYS   3   9.505 -14.482   1.803
   25   3HZ   LYS   3          1HZ       LYS   3   9.094 -15.521   0.600
   26    QB   LYS   3           QB       LYS   3   7.682 -11.749   2.450
   27    QG   LYS   3           QG       LYS   3  10.069 -11.414   1.854
   28    QD   LYS   3           QD       LYS   3   9.442 -11.837  -0.318
   29    QE   LYS   3           QE       LYS   3   8.071 -13.685  -0.108
   30    QZ   LYS   3           QZ       LYS   3   9.673 -14.857   0.946
   31    OH   TYR   4           OH       TYR   4   0.750  -8.857   4.801
   32    H    TYR   4           HN       TYR   4   5.837  -9.808   1.931
   33    HA   TYR   4           HA       TYR   4   6.236  -8.406  -0.449
   34   1HB   TYR   4          2HB       TYR   4   3.821  -8.042  -0.402
   35   2HB   TYR   4          3HB       TYR   4   4.302  -9.707  -0.071
   36    HD1  TYR   4           HD2      TYR   4   2.792  -6.638   1.387
   37    HD2  TYR   4           HD1      TYR   4   3.756 -10.795   2.009
   38    HE1  TYR   4           HE2      TYR   4   1.163  -6.744   3.242
   39    HE2  TYR   4           HE1      TYR   4   2.209 -10.859   3.939
   40    HH   TYR   4           HH       TYR   4   0.237  -8.055   4.928
   41    QB   TYR   4           QB       TYR   4   4.062  -8.874  -0.237
   42    QR   TYR   4           QR       TYR   4   2.480  -8.759   2.644
   43    H    CYS   5           HN       CYS   5   6.210  -7.101   2.725
   44    HA   CYS   5           HA       CYS   5   5.287  -4.480   2.272
   45   1HB   CYS   5          2HB       CYS   5   5.975  -5.747   4.420
   46   2HB   CYS   5          3HB       CYS   5   7.588  -5.086   4.152
   47    QB   CYS   5           QB       CYS   5   6.781  -5.417   4.286
   48    H    LYS   6           HN       LYS   6   8.195  -6.032   1.152
   49    HA   LYS   6           HA       LYS   6   9.698  -3.648   0.547
   50   1HB   LYS   6          2HB       LYS   6   9.962  -6.536   0.077
   51   2HB   LYS   6          3HB       LYS   6  10.440  -5.592  -1.338
   52   1HG   LYS   6          2HG       LYS   6  11.965  -4.238  -0.016
   53   2HG   LYS   6          3HG       LYS   6  11.348  -4.966   1.478
   54   1HD   LYS   6          2HD       LYS   6  13.599  -5.752   0.796
   55   2HD   LYS   6          3HD       LYS   6  12.389  -6.971   1.188
   56   1HE   LYS   6          2HE       LYS   6  13.746  -7.652  -0.757
   57   2HE   LYS   6          3HE       LYS   6  12.033  -7.518  -1.161
   58   1HZ   LYS   6          2HZ       LYS   6  14.087  -5.482  -1.757
   59   2HZ   LYS   6          3HZ       LYS   6  13.449  -6.546  -2.835
   60   3HZ   LYS   6          1HZ       LYS   6  12.490  -5.392  -2.164
   61    QB   LYS   6           QB       LYS   6  10.201  -6.064  -0.631
   62    QG   LYS   6           QG       LYS   6  11.656  -4.602   0.731
   63    QD   LYS   6           QD       LYS   6  12.994  -6.362   0.992
   64    QE   LYS   6           QE       LYS   6  12.890  -7.585  -0.959
   65    QZ   LYS   6           QZ       LYS   6  13.342  -5.807  -2.252
   66    H    LEU   7           HN       LEU   7   6.828  -4.942  -0.979
   67    HA   LEU   7           HA       LEU   7   7.441  -4.211  -3.629
   68   1HB   LEU   7          2HB       LEU   7   4.817  -4.497  -2.160
   69   2HB   LEU   7          3HB       LEU   7   4.923  -4.196  -3.893
   70    HG   LEU   7           HG       LEU   7   6.468  -6.529  -2.776
   71   1HD1  LEU   7          1HD1      LEU   7   3.833  -6.501  -2.117
   72   2HD1  LEU   7          2HD1      LEU   7   3.730  -7.127  -3.772
   73   3HD1  LEU   7          3HD1      LEU   7   4.720  -7.965  -2.592
   74   1HD2  LEU   7          3HD2      LEU   7   6.710  -5.842  -5.168
   75   2HD2  LEU   7          1HD2      LEU   7   5.954  -7.446  -5.024
   76   3HD2  LEU   7          2HD2      LEU   7   4.957  -6.023  -5.391
   77    QB   LEU   7           QB       LEU   7   4.870  -4.346  -3.026
   78    QD1  LEU   7           QD1      LEU   7   4.094  -7.197  -2.827
   79    QD2  LEU   7           QD2      LEU   7   5.874  -6.437  -5.194
   80    QQD  LEU   7           QQD      LEU   7   4.984  -6.817  -4.011
   81    HA   PRO   8           HA       PRO   8   7.137   0.217  -3.237
   82   1HB   PRO   8          2HB       PRO   8   7.383   0.990  -5.831
   83   2HB   PRO   8          3HB       PRO   8   8.640   0.024  -5.024
   84   1HG   PRO   8          2HG       PRO   8   6.364  -1.025  -6.743
   85   2HG   PRO   8          3HG       PRO   8   8.117  -1.299  -6.981
   86   1HD   PRO   8          2HD       PRO   8   6.580  -3.088  -5.609
   87   2HD   PRO   8          3HD       PRO   8   8.252  -2.702  -5.089
   88    QB   PRO   8           QB       PRO   8   8.011   0.507  -5.427
   89    QG   PRO   8           QG       PRO   8   7.241  -1.162  -6.862
   90    QD   PRO   8           QD       PRO   8   7.416  -2.895  -5.349
   91    H    LEU   9           HN       LEU   9   6.007   2.074  -4.773
   92    HA   LEU   9           HA       LEU   9   3.324   2.092  -3.889
   93   1HB   LEU   9          2HB       LEU   9   4.712   4.110  -4.132
   94   2HB   LEU   9          3HB       LEU   9   4.741   3.911  -5.877
   95    HG   LEU   9           HG       LEU   9   2.365   4.271  -6.047
   96   1HD1  LEU   9          3HD1      LEU   9   2.342   4.345  -3.010
   97   2HD1  LEU   9          1HD1      LEU   9   1.039   4.992  -3.972
   98   3HD1  LEU   9          2HD1      LEU   9   1.408   3.266  -4.052
   99   1HD2  LEU   9          2HD2      LEU   9   3.882   6.238  -5.939
  100   2HD2  LEU   9          3HD2      LEU   9   2.277   6.627  -5.295
  101   3HD2  LEU   9          1HD2      LEU   9   3.628   6.338  -4.182
  102    QB   LEU   9           QB       LEU   9   4.727   4.011  -5.004
  103    QD1  LEU   9           QD1      LEU   9   1.596   4.201  -3.678
  104    QD2  LEU   9           QD2      LEU   9   3.262   6.401  -5.139
  105    QQD  LEU   9           QQD      LEU   9   2.429   5.301  -4.408
  106    NH1  ARG  10           NH2      ARG  10   0.768  -4.909 -10.039
  107    NH2  ARG  10           NH1      ARG  10   2.742  -6.097  -9.873
  108    H    ARG  10           HN       ARG  10   2.492   0.175  -4.793
  109    HA   ARG  10           HA       ARG  10   2.169  -0.009  -7.663
  110   1HB   ARG  10          2HB       ARG  10   2.710  -1.869  -6.078
  111   2HB   ARG  10          3HB       ARG  10   1.083  -1.708  -5.391
  112   1HG   ARG  10          2HG       ARG  10   1.058  -3.576  -6.900
  113   2HG   ARG  10          3HG       ARG  10   0.136  -2.280  -7.630
  114   1HD   ARG  10          2HD       ARG  10   1.420  -2.371  -9.493
  115   2HD   ARG  10          3HD       ARG  10   2.848  -1.997  -8.542
  116    HE   ARG  10           HE       ARG  10   3.485  -4.179  -8.448
  117   1HH1  ARG  10          2HH2      ARG  10   0.130  -4.190  -9.689
  118   2HH1  ARG  10          1HH2      ARG  10   0.369  -5.613 -10.638
  119   1HH2  ARG  10          2HH1      ARG  10   3.694  -6.191  -9.549
  120   2HH2  ARG  10          1HH1      ARG  10   2.356  -6.839 -10.438
  121    QB   ARG  10           QB       ARG  10   1.897  -1.788  -5.735
  122    QG   ARG  10           QG       ARG  10   0.597  -2.928  -7.265
  123    QD   ARG  10           QD       ARG  10   2.134  -2.184  -9.018
  124    QH1  ARG  10           QH2      ARG  10   0.249  -4.901 -10.164
  125    QH2  ARG  10           QH1      ARG  10   3.025  -6.515  -9.994
  126    H    ILE  11           HN       ILE  11   0.962   1.954  -7.977
  127    HA   ILE  11           HA       ILE  11  -1.658   2.314  -6.947
  128    HB   ILE  11           HB       ILE  11  -0.627   3.326  -9.615
  129   1HG1  ILE  11          2HG1      ILE  11   1.056   4.002  -8.026
  130   2HG1  ILE  11          3HG1      ILE  11  -0.005   5.378  -8.313
  131   1HG2  ILE  11          2HG2      ILE  11  -2.839   4.181  -7.688
  132   2HG2  ILE  11          3HG2      ILE  11  -2.202   5.271  -8.923
  133   3HG2  ILE  11          1HG2      ILE  11  -2.989   3.754  -9.389
  134   1HD1  ILE  11          3HD1      ILE  11  -1.296   4.880  -6.318
  135   2HD1  ILE  11          1HD1      ILE  11  -0.028   3.693  -5.875
  136   3HD1  ILE  11          2HD1      ILE  11   0.353   5.427  -6.064
  137    QG1  ILE  11           QG1      ILE  11   0.525   4.690  -8.170
  138    QG2  ILE  11           QG2      ILE  11  -2.677   4.402  -8.667
  139    QD1  ILE  11           QD1      ILE  11  -0.324   4.667  -6.086
  140    H    GLY  12           HN       GLY  12  -0.556   0.772  -9.940
  141   1HA   GLY  12          1HA       GLY  12  -1.391  -1.201 -10.742
  142   2HA   GLY  12          2HA       GLY  12  -2.900  -1.023  -9.851
  143    QA   GLY  12           QA       GLY  12  -2.146  -1.112 -10.296
  144    HA   PRO  13           HA       PRO  13  -3.036   0.767 -14.331
  145   1HB   PRO  13          2HB       PRO  13  -3.233  -1.303 -16.075
  146   2HB   PRO  13          3HB       PRO  13  -1.686  -0.902 -15.288
  147   1HG   PRO  13          2HG       PRO  13  -3.706  -2.978 -14.358
  148   2HG   PRO  13          3HG       PRO  13  -1.967  -3.233 -14.703
  149   1HD   PRO  13          2HD       PRO  13  -2.835  -2.686 -12.165
  150   2HD   PRO  13          3HD       PRO  13  -1.324  -1.966 -12.798
  151    QB   PRO  13           QB       PRO  13  -2.459  -1.103 -15.682
  152    QG   PRO  13           QG       PRO  13  -2.837  -3.105 -14.530
  153    QD   PRO  13           QD       PRO  13  -2.079  -2.326 -12.481
  154    H    CYS  14           HN       CYS  14  -5.062   0.661 -12.458
  155    HA   CYS  14           HA       CYS  14  -7.468   0.137 -14.193
  156   1HB   CYS  14          2HB       CYS  14  -7.026  -0.303 -11.370
  157   2HB   CYS  14          3HB       CYS  14  -8.322   0.857 -11.610
  158    QB   CYS  14           QB       CYS  14  -7.674   0.277 -11.490
  159    H    LYS  15           HN       LYS  15  -9.168   1.868 -13.740
  160    HA   LYS  15           HA       LYS  15  -7.884   4.571 -13.930
  161   1HB   LYS  15          2HB       LYS  15  -9.517   5.125 -15.616
  162   2HB   LYS  15          3HB       LYS  15  -8.527   3.748 -16.115
  163   1HG   LYS  15          2HG       LYS  15 -10.380   2.195 -15.534
  164   2HG   LYS  15          3HG       LYS  15 -11.376   3.587 -15.046
  165   1HD   LYS  15          2HD       LYS  15 -10.926   4.521 -17.412
  166   2HD   LYS  15          3HD       LYS  15 -10.363   2.905 -17.836
  167   1HE   LYS  15          2HE       LYS  15 -13.128   3.696 -16.769
  168   2HE   LYS  15          3HE       LYS  15 -12.744   3.253 -18.436
  169   1HZ   LYS  15          2HZ       LYS  15 -12.123   1.051 -17.610
  170   2HZ   LYS  15          3HZ       LYS  15 -12.611   1.476 -16.093
  171   3HZ   LYS  15          1HZ       LYS  15 -13.703   1.412 -17.320
  172    QB   LYS  15           QB       LYS  15  -9.022   4.436 -15.866
  173    QG   LYS  15           QG       LYS  15 -10.878   2.891 -15.290
  174    QD   LYS  15           QD       LYS  15 -10.645   3.713 -17.624
  175    QE   LYS  15           QE       LYS  15 -12.936   3.474 -17.603
  176    QZ   LYS  15           QZ       LYS  15 -12.813   1.313 -17.008
  177    NH1  ARG  16           NH2      ARG  16 -12.682  -1.368  -9.913
  178    NH2  ARG  16           NH1      ARG  16 -13.321  -0.667  -7.807
  179    H    ARG  16           HN       ARG  16  -8.570   3.699 -11.485
  180    HA   ARG  16           HA       ARG  16 -11.028   5.183 -10.749
  181   1HB   ARG  16          2HB       ARG  16 -10.267   2.323 -10.127
  182   2HB   ARG  16          3HB       ARG  16 -11.295   3.226  -9.003
  183   1HG   ARG  16          2HG       ARG  16 -13.035   3.453 -10.605
  184   2HG   ARG  16          3HG       ARG  16 -11.977   3.054 -11.956
  185   1HD   ARG  16          2HD       ARG  16 -13.437   1.166 -11.483
  186   2HD   ARG  16          3HD       ARG  16 -11.719   0.773 -11.228
  187    HE   ARG  16           HE       ARG  16 -13.096   1.643  -8.808
  188   1HH1  ARG  16          2HH2      ARG  16 -12.459  -1.153 -10.872
  189   2HH1  ARG  16          1HH2      ARG  16 -12.715  -2.336  -9.629
  190   1HH2  ARG  16          2HH1      ARG  16 -13.588   0.065  -7.165
  191   2HH2  ARG  16          1HH1      ARG  16 -13.339  -1.620  -7.473
  192    QB   ARG  16           QB       ARG  16 -10.781   2.774  -9.565
  193    QG   ARG  16           QG       ARG  16 -12.506   3.254 -11.281
  194    QD   ARG  16           QD       ARG  16 -12.578   0.970 -11.356
  195    QH1  ARG  16           QH2      ARG  16 -12.587  -1.745 -10.251
  196    QH2  ARG  16           QH1      ARG  16 -13.464  -0.778  -7.319
  197    H    LYS  17           HN       LYS  17 -10.959   5.306  -8.179
  198    HA   LYS  17           HA       LYS  17  -8.232   6.012  -7.235
  199   1HB   LYS  17          2HB       LYS  17  -9.083   7.966  -8.459
  200   2HB   LYS  17          3HB       LYS  17 -10.613   7.878  -7.592
  201   1HG   LYS  17          2HG       LYS  17  -8.558   8.007  -5.623
  202   2HG   LYS  17          3HG       LYS  17  -8.130   9.208  -6.839
  203   1HD   LYS  17          2HD       LYS  17 -10.466  10.121  -6.692
  204   2HD   LYS  17          3HD       LYS  17 -10.836   8.950  -5.424
  205   1HE   LYS  17          2HE       LYS  17  -8.884  11.298  -5.300
  206   2HE   LYS  17          3HE       LYS  17 -10.407  11.104  -4.426
  207   1HZ   LYS  17          3HZ       LYS  17  -8.868   8.949  -3.600
  208   2HZ   LYS  17          1HZ       LYS  17  -7.795  10.063  -3.849
  209   3HZ   LYS  17          2HZ       LYS  17  -8.999  10.408  -2.805
  210    QB   LYS  17           QB       LYS  17  -9.848   7.922  -8.025
  211    QG   LYS  17           QG       LYS  17  -8.344   8.607  -6.231
  212    QD   LYS  17           QD       LYS  17 -10.651   9.536  -6.058
  213    QE   LYS  17           QE       LYS  17  -9.645  11.201  -4.863
  214    QZ   LYS  17           QZ       LYS  17  -8.554   9.807  -3.418
  215    H    ILE  18           HN       ILE  18  -8.349   4.475  -5.581
  216    HA   ILE  18           HA       ILE  18 -10.630   4.646  -3.668
  217    HB   ILE  18           HB       ILE  18  -9.034   2.279  -4.675
  218   1HG1  ILE  18          2HG1      ILE  18 -12.031   2.870  -4.561
  219   2HG1  ILE  18          3HG1      ILE  18 -11.013   3.127  -5.986
  220   1HG2  ILE  18          2HG2      ILE  18 -10.959   2.394  -2.305
  221   2HG2  ILE  18          3HG2      ILE  18 -10.311   0.906  -3.026
  222   3HG2  ILE  18          1HG2      ILE  18  -9.224   2.020  -2.225
  223   1HD1  ILE  18          3HD1      ILE  18 -10.430   0.706  -5.995
  224   2HD1  ILE  18          1HD1      ILE  18 -11.638   0.445  -4.709
  225   3HD1  ILE  18          2HD1      ILE  18 -12.136   1.092  -6.277
  226    QG1  ILE  18           QG1      ILE  18 -11.522   2.999  -5.273
  227    QG2  ILE  18           QG2      ILE  18 -10.165   1.773  -2.519
  228    QD1  ILE  18           QD1      ILE  18 -11.401   0.748  -5.660
  229    HA   PRO  19           HA       PRO  19  -7.059   6.045  -1.276
  230   1HB   PRO  19          2HB       PRO  19  -8.270   6.517   1.139
  231   2HB   PRO  19          3HB       PRO  19  -8.351   7.610  -0.271
  232   1HG   PRO  19          2HG       PRO  19 -10.391   5.554   0.586
  233   2HG   PRO  19          3HG       PRO  19 -10.683   7.252   0.107
  234   1HD   PRO  19          2HD       PRO  19 -11.020   5.183  -1.606
  235   2HD   PRO  19          3HD       PRO  19 -10.352   6.737  -2.199
  236    QB   PRO  19           QB       PRO  19  -8.310   7.063   0.434
  237    QG   PRO  19           QG       PRO  19 -10.537   6.403   0.347
  238    QD   PRO  19           QD       PRO  19 -10.686   5.960  -1.902
  239    H    SER  20           HN       SER  20  -5.555   4.801  -0.242
  240    HA   SER  20           HA       SER  20  -6.329   2.637   1.577
  241   1HB   SER  20          2HB       SER  20  -4.421   2.106  -0.756
  242   2HB   SER  20          3HB       SER  20  -4.893   0.974   0.509
  243    HG   SER  20           HG       SER  20  -6.791   2.139  -1.224
  244    QB   SER  20           QB       SER  20  -4.657   1.540  -0.123
  245    H    PHE  21           HN       PHE  21  -4.036   1.726   2.370
  246    HA   PHE  21           HA       PHE  21  -2.000   3.866   2.491
  247   1HB   PHE  21          2HB       PHE  21  -2.827   1.927   4.704
  248   2HB   PHE  21          3HB       PHE  21  -1.413   2.969   4.757
  249    HD1  PHE  21          2HD       PHE  21  -5.147   3.003   4.564
  250    HD2  PHE  21          1HD       PHE  21  -1.595   5.285   5.427
  251    HE1  PHE  21          2HE       PHE  21  -6.544   4.811   5.514
  252    HE2  PHE  21          1HE       PHE  21  -3.001   7.113   6.344
  253    HZ   PHE  21           HZ       PHE  21  -5.468   6.853   6.444
  254    QB   PHE  21           QB       PHE  21  -2.120   2.448   4.731
  255    QR   PHE  21           QR       PHE  21  -4.072   5.053   5.462
  256    OH   TYR  22           OH       TYR  22   4.935   4.740  -1.746
  257    H    TYR  22           HN       TYR  22   0.172   3.014   2.345
  258    HA   TYR  22           HA       TYR  22   0.507   0.108   2.124
  259   1HB   TYR  22          2HB       TYR  22   1.518   0.133   0.117
  260   2HB   TYR  22          3HB       TYR  22   0.191   1.199  -0.263
  261    HD1  TYR  22           HD2      TYR  22   1.086   3.854   0.485
  262    HD2  TYR  22           HD1      TYR  22   3.477   0.531  -0.906
  263    HE1  TYR  22           HE2      TYR  22   2.799   5.425  -0.358
  264    HE2  TYR  22           HE1      TYR  22   5.137   2.102  -1.808
  265    HH   TYR  22           HH       TYR  22   5.572   4.274  -2.286
  266    QB   TYR  22           QB       TYR  22   0.855   0.666  -0.073
  267    QR   TYR  22           QR       TYR  22   3.125   2.978  -0.647
  268    OH   TYR  23           OH       TYR  23   9.545  -0.253   7.099
  269    H    TYR  23           HN       TYR  23   2.961  -0.333   2.042
  270    HA   TYR  23           HA       TYR  23   4.312   1.616   3.891
  271   1HB   TYR  23          2HB       TYR  23   3.981  -0.710   4.682
  272   2HB   TYR  23          3HB       TYR  23   4.915  -1.260   3.308
  273    HD1  TYR  23           HD1      TYR  23   7.330  -0.852   3.191
  274    HD2  TYR  23           HD2      TYR  23   5.072   0.336   6.652
  275    HE1  TYR  23           HE1      TYR  23   9.380  -0.913   4.580
  276    HE2  TYR  23           HE2      TYR  23   7.140   0.447   7.973
  277    HH   TYR  23           HH       TYR  23   9.450   0.292   7.887
  278    QB   TYR  23           QB       TYR  23   4.448  -0.985   3.995
  279    QR   TYR  23           QR       TYR  23   7.230  -0.246   5.599
  280    H    LYS  24           HN       LYS  24   5.550   3.086   2.781
  281    HA   LYS  24           HA       LYS  24   6.678   2.309   0.150
  282   1HB   LYS  24          2HB       LYS  24   5.975   4.605   0.517
  283   2HB   LYS  24          3HB       LYS  24   7.100   4.770   1.869
  284   1HG   LYS  24          2HG       LYS  24   8.986   4.346   0.294
  285   2HG   LYS  24          3HG       LYS  24   7.863   4.211  -1.053
  286   1HD   LYS  24          2HD       LYS  24   8.044   6.700   0.705
  287   2HD   LYS  24          3HD       LYS  24   9.165   6.415  -0.633
  288   1HE   LYS  24          2HE       LYS  24   7.154   6.209  -2.179
  289   2HE   LYS  24          3HE       LYS  24   6.139   6.749  -0.822
  290   1HZ   LYS  24          2HZ       LYS  24   8.363   8.275  -2.016
  291   2HZ   LYS  24          3HZ       LYS  24   6.765   8.535  -2.289
  292   3HZ   LYS  24          1HZ       LYS  24   7.388   8.791  -0.793
  293    QB   LYS  24           QB       LYS  24   6.538   4.687   1.193
  294    QG   LYS  24           QG       LYS  24   8.424   4.278  -0.380
  295    QD   LYS  24           QD       LYS  24   8.605   6.557   0.036
  296    QE   LYS  24           QE       LYS  24   6.647   6.479  -1.501
  297    QZ   LYS  24           QZ       LYS  24   7.505   8.534  -1.699
  298    CH2  TRP  25           CH2      TRP  25  12.333  -4.317   4.584
  299    H    TRP  25           HN       TRP  25   7.993   0.493   0.629
  300    HA   TRP  25           HA       TRP  25   9.815   0.233   2.695
  301   1HB   TRP  25          2HB       TRP  25   9.274  -1.502   1.043
  302   2HB   TRP  25          3HB       TRP  25  10.256  -0.683  -0.168
  303    HD1  TRP  25           HD1      TRP  25  12.858  -1.008  -0.025
  304    HE1  TRP  25           HE1      TRP  25  14.455  -2.371   1.402
  305    HE3  TRP  25           HE3      TRP  25   9.498  -2.899   3.321
  306    HZ2  TRP  25           HZ2      TRP  25  14.310  -4.078   3.742
  307    HZ3  TRP  25           HZ3      TRP  25  10.243  -4.412   5.127
  308    HH2  TRP  25           HH2      TRP  25  12.647  -5.014   5.349
  309    QB   TRP  25           QB       TRP  25   9.765  -1.092   0.438
  310    H    LYS  26           HN       LYS  26  10.195   2.135  -0.226
  311    HA   LYS  26           HA       LYS  26  12.932   2.762   0.019
  312   1HB   LYS  26          2HB       LYS  26  11.049   3.108  -1.860
  313   2HB   LYS  26          3HB       LYS  26  11.014   4.738  -1.211
  314   1HG   LYS  26          2HG       LYS  26  13.480   3.261  -2.315
  315   2HG   LYS  26          3HG       LYS  26  12.424   4.328  -3.229
  316   1HD   LYS  26          2HD       LYS  26  13.948   5.907  -2.755
  317   2HD   LYS  26          3HD       LYS  26  12.982   6.063  -1.289
  318   1HE   LYS  26          2HE       LYS  26  14.801   4.103  -0.524
  319   2HE   LYS  26          3HE       LYS  26  15.762   4.984  -1.719
  320   1HZ   LYS  26          1HZ       LYS  26  15.249   7.002  -0.403
  321   2HZ   LYS  26          2HZ       LYS  26  14.409   6.032   0.661
  322   3HZ   LYS  26          3HZ       LYS  26  16.034   5.854   0.493
  323    QB   LYS  26           QB       LYS  26  11.031   3.923  -1.535
  324    QG   LYS  26           QG       LYS  26  12.952   3.794  -2.772
  325    QD   LYS  26           QD       LYS  26  13.465   5.985  -2.022
  326    QE   LYS  26           QE       LYS  26  15.282   4.543  -1.122
  327    QZ   LYS  26           QZ       LYS  26  15.231   6.296   0.250
  328    H    ALA  27           HN       ALA  27  10.259   3.881   1.933
  329    HA   ALA  27           HA       ALA  27  11.919   6.039   3.189
  330   1HB   ALA  27          1HB       ALA  27   8.895   5.715   3.099
  331   2HB   ALA  27          2HB       ALA  27   9.794   6.974   3.966
  332   3HB   ALA  27          3HB       ALA  27   9.860   6.910   2.195
  333    QB   ALA  27           QB       ALA  27   9.516   6.533   3.087
  334    H    LYS  28           HN       LYS  28  10.275   3.001   3.563
  335    HA   LYS  28           HA       LYS  28  10.064   1.516   5.123
  336   1HB   LYS  28          2HB       LYS  28  12.169   3.046   6.709
  337   2HB   LYS  28          3HB       LYS  28  11.528   1.447   7.106
  338   1HG   LYS  28          2HG       LYS  28  12.177   0.699   4.765
  339   2HG   LYS  28          3HG       LYS  28  13.027   2.222   4.573
  340   1HD   LYS  28          2HD       LYS  28  14.796   1.544   5.785
  341   2HD   LYS  28          3HD       LYS  28  13.805   0.968   7.118
  342   1HE   LYS  28          2HE       LYS  28  14.286  -0.575   4.517
  343   2HE   LYS  28          3HE       LYS  28  15.183  -0.830   6.020
  344   1HZ   LYS  28          3HZ       LYS  28  12.268  -1.203   5.730
  345   2HZ   LYS  28          1HZ       LYS  28  13.389  -2.401   5.779
  346   3HZ   LYS  28          2HZ       LYS  28  13.139  -1.451   7.097
  347    QB   LYS  28           QB       LYS  28  11.848   2.247   6.907
  348    QG   LYS  28           QG       LYS  28  12.602   1.461   4.669
  349    QD   LYS  28           QD       LYS  28  14.300   1.256   6.452
  350    QE   LYS  28           QE       LYS  28  14.735  -0.702   5.269
  351    QZ   LYS  28           QZ       LYS  28  12.932  -1.685   6.202
  352    H    GLN  29           HN       GLN  29   8.127   3.502   4.925
  353    HA   GLN  29           HA       GLN  29   6.946   3.223   7.599
  354   1HB   GLN  29          2HB       GLN  29   8.186   5.351   7.684
  355   2HB   GLN  29          3HB       GLN  29   7.284   5.954   6.282
  356   1HG   GLN  29          2HG       GLN  29   5.226   6.012   7.552
  357   2HG   GLN  29          3HG       GLN  29   5.920   5.014   8.842
  358   1HE2  GLN  29          2HE2      GLN  29   7.226   8.931   8.653
  359   2HE2  GLN  29          1HE2      GLN  29   6.952   8.063   7.152
  360    QB   GLN  29           QB       GLN  29   7.735   5.652   6.983
  361    QG   GLN  29           QG       GLN  29   5.573   5.513   8.197
  362    QE2  GLN  29           QE2      GLN  29   7.089   8.497   7.902
  363    H    CYS  30           HN       CYS  30   4.698   3.538   7.665
  364    HA   CYS  30           HA       CYS  30   3.249   2.757   5.254
  365   1HB   CYS  30          2HB       CYS  30   2.448   3.240   8.094
  366   2HB   CYS  30          3HB       CYS  30   1.286   2.820   6.841
  367    QB   CYS  30           QB       CYS  30   1.867   3.030   7.468
  368    H    LEU  31           HN       LEU  31   1.969   4.086   4.036
  369    HA   LEU  31           HA       LEU  31   1.560   6.896   4.904
  370   1HB   LEU  31          2HB       LEU  31   2.692   6.022   2.208
  371   2HB   LEU  31          3HB       LEU  31   2.427   7.682   2.715
  372    HG   LEU  31           HG       LEU  31   4.428   5.821   4.057
  373   1HD1  LEU  31          2HD1      LEU  31   4.975   6.093   1.710
  374   2HD1  LEU  31          3HD1      LEU  31   4.978   7.857   1.875
  375   3HD1  LEU  31          1HD1      LEU  31   6.169   6.872   2.762
  376   1HD2  LEU  31          3HD2      LEU  31   4.136   8.848   4.117
  377   2HD2  LEU  31          1HD2      LEU  31   3.796   7.735   5.463
  378   3HD2  LEU  31          2HD2      LEU  31   5.453   7.903   4.856
  379    QB   LEU  31           QB       LEU  31   2.560   6.852   2.462
  380    QD1  LEU  31           QD1      LEU  31   5.374   6.940   2.116
  381    QD2  LEU  31           QD2      LEU  31   4.462   8.162   4.812
  382    QQD  LEU  31           QQD      LEU  31   4.918   7.551   3.464
  383    HA   PRO  32           HA       PRO  32  -2.367   6.102   2.835
  384   1HB   PRO  32          2HB       PRO  32  -3.192   8.647   2.311
  385   2HB   PRO  32          3HB       PRO  32  -3.174   7.987   3.966
  386   1HG   PRO  32          2HG       PRO  32  -1.087   9.731   2.632
  387   2HG   PRO  32          3HG       PRO  32  -1.800   9.934   4.259
  388   1HD   PRO  32          2HD       PRO  32   0.614   8.730   3.838
  389   2HD   PRO  32          3HD       PRO  32  -0.477   8.179   5.142
  390    QB   PRO  32           QB       PRO  32  -3.183   8.317   3.139
  391    QG   PRO  32           QG       PRO  32  -1.444   9.833   3.445
  392    QD   PRO  32           QD       PRO  32   0.068   8.455   4.490
  393    H    PHE  33           HN       PHE  33  -3.186   6.174   0.623
  394    HA   PHE  33           HA       PHE  33  -2.169   8.003  -1.274
  395   1HB   PHE  33          2HB       PHE  33  -0.857   6.745  -2.690
  396   2HB   PHE  33          3HB       PHE  33  -0.231   6.241  -1.147
  397    HD1  PHE  33          2HD       PHE  33  -1.480   4.031  -0.101
  398    HD2  PHE  33          1HD       PHE  33  -1.526   5.193  -4.226
  399    HE1  PHE  33          2HE       PHE  33  -1.901   1.672  -0.777
  400    HE2  PHE  33          1HE       PHE  33  -1.892   2.835  -4.897
  401    HZ   PHE  33           HZ       PHE  33  -1.978   1.055  -3.181
  402    QB   PHE  33           QB       PHE  33  -0.544   6.493  -1.918
  403    QR   PHE  33           QR       PHE  33  -1.700   3.433  -2.500
  404    H    ASP  34           HN       ASP  34  -3.043   6.895  -3.689
  405    HA   ASP  34           HA       ASP  34  -5.762   5.830  -3.101
  406   1HB   ASP  34          2HB       ASP  34  -4.764   7.836  -5.134
  407   2HB   ASP  34          3HB       ASP  34  -6.137   6.788  -5.466
  408    QB   ASP  34           QB       ASP  34  -5.450   7.312  -5.300
  409    OH   TYR  35           OH       TYR  35  -5.797  -3.543  -7.112
  410    H    TYR  35           HN       TYR  35  -5.830   3.791  -3.632
  411    HA   TYR  35           HA       TYR  35  -3.994   2.544  -5.595
  412   1HB   TYR  35          2HB       TYR  35  -4.514   1.293  -3.597
  413   2HB   TYR  35          3HB       TYR  35  -6.241   1.586  -3.793
  414    HD1  TYR  35           HD1      TYR  35  -3.481   0.208  -5.985
  415    HD2  TYR  35           HD2      TYR  35  -7.415  -0.347  -4.324
  416    HE1  TYR  35           HE1      TYR  35  -3.863  -1.730  -7.470
  417    HE2  TYR  35           HE2      TYR  35  -7.502  -2.607  -5.349
  418    HH   TYR  35           HH       TYR  35  -6.725  -3.820  -7.129
  419    QB   TYR  35           QB       TYR  35  -5.378   1.439  -3.695
  420    QR   TYR  35           QR       TYR  35  -5.565  -1.119  -5.782
  421    H    SER  36           HN       SER  36  -4.866   1.608  -7.566
  422    HA   SER  36           HA       SER  36  -6.889   3.312  -8.736
  423   1HB   SER  36          2HB       SER  36  -6.514   1.978 -10.724
  424   2HB   SER  36          3HB       SER  36  -4.985   2.469 -10.023
  425    HG   SER  36           HG       SER  36  -4.565   0.465  -9.390
  426    QB   SER  36           QB       SER  36  -5.750   2.223 -10.374
  427    H    GLY  37           HN       GLY  37  -6.733  -0.196  -8.511
  428   1HA   GLY  37          1HA       GLY  37  -9.013  -0.845  -7.015
  429   2HA   GLY  37          2HA       GLY  37  -9.594  -0.618  -8.679
  430    QA   GLY  37           QA       GLY  37  -9.304  -0.732  -7.847
  431    H    CYS  38           HN       CYS  38  -7.178  -1.542  -9.994
  432    HA   CYS  38           HA       CYS  38  -7.199  -4.437  -9.351
  433   1HB   CYS  38          2HB       CYS  38  -7.356  -4.991 -11.673
  434   2HB   CYS  38          3HB       CYS  38  -8.806  -4.161 -11.127
  435    QB   CYS  38           QB       CYS  38  -8.081  -4.576 -11.400
  436    H    GLY  39           HN       GLY  39  -5.407  -5.577 -10.013
  437   1HA   GLY  39          1HA       GLY  39  -3.200  -5.987 -10.190
  438   2HA   GLY  39          2HA       GLY  39  -3.076  -4.624 -11.287
  439    QA   GLY  39           QA       GLY  39  -3.138  -5.306 -10.738
  440    H    GLY  40           HN       GLY  40  -4.126  -4.462  -7.866
  441   1HA   GLY  40          1HA       GLY  40  -1.870  -2.895  -6.929
  442   2HA   GLY  40          2HA       GLY  40  -3.110  -3.696  -5.967
  443    QA   GLY  40           QA       GLY  40  -2.490  -3.296  -6.448
  444    H    ASN  41           HN       ASN  41  -1.455  -4.343  -4.477
  445    HA   ASN  41           HA       ASN  41  -0.404  -7.000  -5.106
  446   1HB   ASN  41          2HB       ASN  41   1.813  -6.393  -4.245
  447   2HB   ASN  41          3HB       ASN  41   1.435  -5.471  -5.683
  448   1HD2  ASN  41          2HD2      ASN  41   2.640  -2.693  -3.823
  449   2HD2  ASN  41          1HD2      ASN  41   3.082  -3.960  -4.949
  450    QB   ASN  41           QB       ASN  41   1.624  -5.932  -4.964
  451    QD2  ASN  41           QD2      ASN  41   2.861  -3.326  -4.386
  452    H    ALA  42           HN       ALA  42   0.954  -7.381  -2.748
  453    HA   ALA  42           HA       ALA  42  -1.217  -7.581  -0.814
  454   1HB   ALA  42          1HB       ALA  42   1.719  -8.330  -0.721
  455   2HB   ALA  42          2HB       ALA  42   0.540  -8.738   0.540
  456   3HB   ALA  42          3HB       ALA  42   0.373  -9.409  -1.091
  457    QB   ALA  42           QB       ALA  42   0.877  -8.826  -0.424
  458    H    ASN  43           HN       ASN  43   1.221  -5.169  -1.472
  459    HA   ASN  43           HA       ASN  43   1.459  -4.294   1.332
  460   1HB   ASN  43          2HB       ASN  43   3.388  -4.270  -0.397
  461   2HB   ASN  43          3HB       ASN  43   2.569  -2.882  -1.127
  462   1HD2  ASN  43          2HD2      ASN  43   4.966  -1.267   1.003
  463   2HD2  ASN  43          1HD2      ASN  43   4.926  -2.128  -0.499
  464    QB   ASN  43           QB       ASN  43   2.979  -3.576  -0.762
  465    QD2  ASN  43           QD2      ASN  43   4.946  -1.697   0.252
  466    NH1  ARG  44           NH2      ARG  44  -6.789  -2.547  -1.811
  467    NH2  ARG  44           NH1      ARG  44  -6.236  -4.571  -2.805
  468    H    ARG  44           HN       ARG  44  -1.071  -4.153   1.127
  469    HA   ARG  44           HA       ARG  44  -1.753  -1.329   0.651
  470   1HB   ARG  44          2HB       ARG  44  -1.888  -2.406  -1.608
  471   2HB   ARG  44          3HB       ARG  44  -3.124  -3.499  -0.956
  472   1HG   ARG  44          2HG       ARG  44  -4.534  -1.498  -0.396
  473   2HG   ARG  44          3HG       ARG  44  -3.239  -0.431  -0.949
  474   1HD   ARG  44          2HD       ARG  44  -5.023  -0.710  -2.627
  475   2HD   ARG  44          3HD       ARG  44  -3.434  -1.204  -3.217
  476    HE   ARG  44           HE       ARG  44  -4.094  -3.395  -3.372
  477   1HH1  ARG  44          2HH2      ARG  44  -6.535  -1.598  -1.574
  478   2HH1  ARG  44          1HH2      ARG  44  -7.683  -2.897  -1.504
  479   1HH2  ARG  44          2HH1      ARG  44  -5.565  -5.155  -3.286
  480   2HH2  ARG  44          1HH1      ARG  44  -7.113  -4.981  -2.524
  481    QB   ARG  44           QB       ARG  44  -2.506  -2.953  -1.282
  482    QG   ARG  44           QG       ARG  44  -3.887  -0.964  -0.672
  483    QD   ARG  44           QD       ARG  44  -4.228  -0.957  -2.922
  484    QH1  ARG  44           QH2      ARG  44  -7.109  -2.247  -1.539
  485    QH2  ARG  44           QH1      ARG  44  -6.339  -5.068  -2.905
  486    H    PHE  45           HN       PHE  45  -3.114  -0.744   2.180
  487    HA   PHE  45           HA       PHE  45  -4.804  -2.709   3.709
  488   1HB   PHE  45          2HB       PHE  45  -2.944  -0.575   4.774
  489   2HB   PHE  45          3HB       PHE  45  -3.887  -1.719   5.709
  490    HD1  PHE  45          1HD       PHE  45  -0.892  -1.288   3.544
  491    HD2  PHE  45          2HD       PHE  45  -3.153  -4.131   5.881
  492    HE1  PHE  45          1HE       PHE  45   1.090  -2.769   3.680
  493    HE2  PHE  45          2HE       PHE  45  -1.157  -5.523   6.129
  494    HZ   PHE  45           HZ       PHE  45   0.990  -4.863   5.008
  495    QB   PHE  45           QB       PHE  45  -3.415  -1.147   5.242
  496    QR   PHE  45           QR       PHE  45  -1.028  -3.428   4.808
  497    H    LYS  46           HN       LYS  46  -6.800  -1.774   4.466
  498    HA   LYS  46           HA       LYS  46  -7.588   0.685   3.211
  499   1HB   LYS  46          2HB       LYS  46  -9.152  -1.099   3.444
  500   2HB   LYS  46          3HB       LYS  46  -8.856  -1.261   5.187
  501   1HG   LYS  46          2HG       LYS  46  -9.818   0.788   5.689
  502   2HG   LYS  46          3HG       LYS  46  -9.827   1.332   3.999
  503   1HD   LYS  46          2HD       LYS  46 -11.477  -1.039   4.983
  504   2HD   LYS  46          3HD       LYS  46 -12.057   0.633   5.120
  505   1HE   LYS  46          2HE       LYS  46 -11.792   0.957   2.665
  506   2HE   LYS  46          3HE       LYS  46 -11.279  -0.729   2.495
  507   1HZ   LYS  46          3HZ       LYS  46 -13.903   0.175   3.493
  508   2HZ   LYS  46          1HZ       LYS  46 -13.604  -0.430   1.996
  509   3HZ   LYS  46          2HZ       LYS  46 -13.434  -1.394   3.317
  510    QB   LYS  46           QB       LYS  46  -9.004  -1.180   4.315
  511    QG   LYS  46           QG       LYS  46  -9.822   1.060   4.844
  512    QD   LYS  46           QD       LYS  46 -11.767  -0.203   5.052
  513    QE   LYS  46           QE       LYS  46 -11.535   0.114   2.580
  514    QZ   LYS  46           QZ       LYS  46 -13.647  -0.550   2.935
  515    H    THR  47           HN       THR  47  -5.800  -0.081   6.089
  516    HA   THR  47           HA       THR  47  -6.262   2.667   7.176
  517    HB   THR  47           HB       THR  47  -6.373   1.645   9.440
  518    HG1  THR  47          1HG       THR  47  -7.182  -0.677   8.065
  519   1HG2  THR  47          3HG2      THR  47  -8.384   2.556   8.241
  520   2HG2  THR  47          1HG2      THR  47  -8.727   0.909   7.675
  521   3HG2  THR  47          2HG2      THR  47  -8.743   1.272   9.406
  522    QG2  THR  47           QG2      THR  47  -8.618   1.579   8.441
  523    H    ILE  48           HN       ILE  48  -4.595   3.544   8.317
  524    HA   ILE  48           HA       ILE  48  -1.955   2.643   7.537
  525    HB   ILE  48           HB       ILE  48  -2.839   5.047   8.157
  526   1HG1  ILE  48          2HG1      ILE  48  -0.484   4.360   7.489
  527   2HG1  ILE  48          3HG1      ILE  48  -0.804   5.928   8.241
  528   1HG2  ILE  48          3HG2      ILE  48  -2.063   4.171  10.938
  529   2HG2  ILE  48          1HG2      ILE  48  -2.298   5.837  10.385
  530   3HG2  ILE  48          2HG2      ILE  48  -3.657   4.711  10.363
  531   1HD1  ILE  48          1HD1      ILE  48   0.182   3.514   9.740
  532   2HD1  ILE  48          2HD1      ILE  48   1.185   4.862   9.128
  533   3HD1  ILE  48          3HD1      ILE  48  -0.035   5.170  10.376
  534    QG1  ILE  48           QG1      ILE  48  -0.644   5.144   7.865
  535    QG2  ILE  48           QG2      ILE  48  -2.673   4.906  10.562
  536    QD1  ILE  48           QD1      ILE  48   0.444   4.515   9.748
  537    H    GLU  49           HN       GLU  49  -4.010   2.345  10.430
  538    HA   GLU  49           HA       GLU  49  -1.884   1.253  11.948
  539   1HB   GLU  49          2HB       GLU  49  -3.734   0.464  13.477
  540   2HB   GLU  49          3HB       GLU  49  -3.689   2.198  13.133
  541   1HG   GLU  49          2HG       GLU  49  -5.532   0.523  11.436
  542   2HG   GLU  49          3HG       GLU  49  -5.969   0.845  13.111
  543    QB   GLU  49           QB       GLU  49  -3.712   1.331  13.305
  544    QG   GLU  49           QG       GLU  49  -5.750   0.684  12.274
  545    H    GLU  50           HN       GLU  50  -4.227  -0.429   9.824
  546    HA   GLU  50           HA       GLU  50  -3.276  -3.029  10.472
  547   1HB   GLU  50          2HB       GLU  50  -4.997  -1.900   8.451
  548   2HB   GLU  50          3HB       GLU  50  -3.808  -2.889   7.642
  549   1HG   GLU  50          2HG       GLU  50  -5.465  -3.883   9.981
  550   2HG   GLU  50          3HG       GLU  50  -5.848  -4.156   8.272
  551    QB   GLU  50           QB       GLU  50  -4.403  -2.394   8.047
  552    QG   GLU  50           QG       GLU  50  -5.657  -4.019   9.126
  553    H    CYS  51           HN       CYS  51  -2.148  -0.744   7.927
  554    HA   CYS  51           HA       CYS  51  -0.030  -2.325   6.943
  555   1HB   CYS  51          2HB       CYS  51  -0.753  -0.219   5.831
  556   2HB   CYS  51          3HB       CYS  51  -0.050   0.721   7.161
  557    QB   CYS  51           QB       CYS  51  -0.401   0.251   6.496
  558    NH1  ARG  52           NH2      ARG  52   1.908   1.483  15.210
  559    NH2  ARG  52           NH1      ARG  52   0.064   2.876  15.315
  560    H    ARG  52           HN       ARG  52   0.056   0.150   9.544
  561    HA   ARG  52           HA       ARG  52   2.820  -0.207  10.013
  562   1HB   ARG  52          2HB       ARG  52   1.403   1.788  10.571
  563   2HB   ARG  52          3HB       ARG  52   0.752   0.879  11.955
  564   1HG   ARG  52          2HG       ARG  52   3.059   0.624  12.817
  565   2HG   ARG  52          3HG       ARG  52   3.704   1.448  11.392
  566   1HD   ARG  52          2HD       ARG  52   3.597   2.845  13.495
  567   2HD   ARG  52          3HD       ARG  52   2.887   3.541  12.035
  568    HE   ARG  52           HE       ARG  52   0.857   3.590  12.995
  569   1HH1  ARG  52          2HH2      ARG  52   2.818   1.188  14.835
  570   2HH1  ARG  52          1HH2      ARG  52   1.554   0.732  15.798
  571   1HH2  ARG  52          2HH1      ARG  52  -0.503   3.626  14.947
  572   2HH2  ARG  52          1HH1      ARG  52  -0.134   2.532  16.244
  573    QB   ARG  52           QB       ARG  52   1.077   1.334  11.263
  574    QG   ARG  52           QG       ARG  52   3.382   1.036  12.104
  575    QD   ARG  52           QD       ARG  52   3.242   3.193  12.765
  576    QH1  ARG  52           QH2      ARG  52   2.186   0.960  15.316
  577    QH2  ARG  52           QH1      ARG  52  -0.318   3.079  15.595
  578    NH1  ARG  53           NH2      ARG  53   0.607  -5.723  17.080
  579    NH2  ARG  53           NH1      ARG  53  -1.015  -5.401  18.711
  580    H    ARG  53           HN       ARG  53  -0.045  -1.729  11.472
  581    HA   ARG  53           HA       ARG  53   1.403  -3.074  13.547
  582   1HB   ARG  53          2HB       ARG  53  -1.151  -2.582  13.336
  583   2HB   ARG  53          3HB       ARG  53  -1.216  -4.037  12.342
  584   1HG   ARG  53          2HG       ARG  53  -1.793  -4.634  14.558
  585   2HG   ARG  53          3HG       ARG  53  -0.136  -5.227  14.367
  586   1HD   ARG  53          2HD       ARG  53   0.739  -3.331  15.693
  587   2HD   ARG  53          3HD       ARG  53  -0.762  -2.453  15.503
  588    HE   ARG  53           HE       ARG  53  -1.684  -3.457  17.261
  589   1HH1  ARG  53          2HH2      ARG  53   1.015  -5.431  16.202
  590   2HH1  ARG  53          1HH2      ARG  53   0.987  -6.531  17.548
  591   1HH2  ARG  53          2HH1      ARG  53  -1.803  -4.881  19.071
  592   2HH2  ARG  53          1HH1      ARG  53  -0.690  -6.201  19.232
  593    QB   ARG  53           QB       ARG  53  -1.184  -3.310  12.839
  594    QG   ARG  53           QG       ARG  53  -0.964  -4.930  14.463
  595    QD   ARG  53           QD       ARG  53  -0.011  -2.892  15.598
  596    QH1  ARG  53           QH2      ARG  53   1.001  -5.981  16.875
  597    QH2  ARG  53           QH1      ARG  53  -1.247  -5.541  19.151
  598    H    THR  54           HN       THR  54   0.770  -3.833  10.150
  599    HA   THR  54           HA       THR  54   1.572  -6.612  10.357
  600    HB   THR  54           HB       THR  54   1.291  -4.746   7.965
  601    HG1  THR  54          1HG       THR  54  -0.656  -5.107   9.056
  602   1HG2  THR  54          2HG2      THR  54   2.710  -6.743   7.428
  603   2HG2  THR  54          3HG2      THR  54   1.410  -7.798   8.044
  604   3HG2  THR  54          1HG2      THR  54   1.141  -6.778   6.617
  605    QG2  THR  54           QG2      THR  54   1.754  -7.106   7.363
  606    H    CYS  55           HN       CYS  55   3.218  -3.629   9.126
  607    HA   CYS  55           HA       CYS  55   5.639  -5.282   8.666
  608   1HB   CYS  55          2HB       CYS  55   5.146  -2.390   7.948
  609   2HB   CYS  55          3HB       CYS  55   6.559  -3.363   7.565
  610    QB   CYS  55           QB       CYS  55   5.852  -2.877   7.757
  611    H    VAL  56           HN       VAL  56   4.611  -2.765  10.848
  612    HA   VAL  56           HA       VAL  56   7.263  -2.504  12.174
  613    HB   VAL  56           HB       VAL  56   4.970  -0.489  12.135
  614   1HG1  VAL  56          3HG1      VAL  56   7.832  -0.400  13.042
  615   2HG1  VAL  56          1HG1      VAL  56   7.124   1.070  12.353
  616   3HG1  VAL  56          2HG1      VAL  56   6.382   0.352  13.754
  617   1HG2  VAL  56          1HG2      VAL  56   7.259  -0.603  10.159
  618   2HG2  VAL  56          2HG2      VAL  56   5.518  -0.721   9.787
  619   3HG2  VAL  56          3HG2      VAL  56   6.172   0.786  10.386
  620    QG1  VAL  56           QG1      VAL  56   7.112   0.340  13.050
  621    QG2  VAL  56           QG2      VAL  56   6.316  -0.179  10.111
  622    QQG  VAL  56           QQG      VAL  56   6.714   0.080  11.580
  623    H    GLY  57           HN       GLY  57   6.102  -1.317  14.500
  624   1HA   GLY  57          1HA       GLY  57   3.855  -3.078  15.332
  625   2HA   GLY  57          2HA       GLY  57   4.942  -2.303  16.493
  626    QA   GLY  57           QA       GLY  57   4.399  -2.691  15.912
   
  Start of MODEL          16
 Raw file had  626 H/Q atoms
  Start of MODEL   16
    1    H    ALA   1           HN       ALA   1   5.680  -7.149   9.967
    2    HA   ALA   1           HA       ALA   1   6.892  -6.305   7.949
    3   1HB   ALA   1          2HB       ALA   1   9.177  -7.820   9.145
    4   2HB   ALA   1          3HB       ALA   1   9.124  -7.009   7.551
    5   3HB   ALA   1          1HB       ALA   1   8.987  -6.047   9.035
    6    QB   ALA   1           QB       ALA   1   9.096  -6.959   8.577
    7    H    ALA   2           HN       ALA   2   6.726  -7.359   6.037
    8    HA   ALA   2           HA       ALA   2   6.544 -10.290   5.909
    9   1HB   ALA   2          1HB       ALA   2   4.212  -9.492   6.346
   10   2HB   ALA   2          2HB       ALA   2   4.345  -8.378   4.963
   11   3HB   ALA   2          3HB       ALA   2   4.391 -10.134   4.700
   12    QB   ALA   2           QB       ALA   2   4.316  -9.334   5.336
   13    H    LYS   3           HN       LYS   3   6.839 -10.968   3.630
   14    HA   LYS   3           HA       LYS   3   8.952  -9.584   2.401
   15   1HB   LYS   3          2HB       LYS   3   7.254 -11.916   1.740
   16   2HB   LYS   3          3HB       LYS   3   7.677 -10.988   0.320
   17   1HG   LYS   3          2HG       LYS   3   9.281 -12.596   0.438
   18   2HG   LYS   3          3HG       LYS   3  10.109 -11.126   0.921
   19   1HD   LYS   3          2HD       LYS   3   8.920 -13.160   2.896
   20   2HD   LYS   3          3HD       LYS   3  10.512 -13.395   2.205
   21   1HE   LYS   3          2HE       LYS   3   9.702 -11.030   3.970
   22   2HE   LYS   3          3HE       LYS   3  10.611 -12.449   4.472
   23   1HZ   LYS   3          3HZ       LYS   3  12.335 -11.849   2.906
   24   2HZ   LYS   3          1HZ       LYS   3  11.524 -10.479   2.487
   25   3HZ   LYS   3          2HZ       LYS   3  12.088 -10.667   4.017
   26    QB   LYS   3           QB       LYS   3   7.465 -11.452   1.030
   27    QG   LYS   3           QG       LYS   3   9.695 -11.861   0.680
   28    QD   LYS   3           QD       LYS   3   9.716 -13.278   2.550
   29    QE   LYS   3           QE       LYS   3  10.156 -11.739   4.221
   30    QZ   LYS   3           QZ       LYS   3  11.983 -10.998   3.136
   31    OH   TYR   4           OH       TYR   4   0.478  -8.143   4.784
   32    H    TYR   4           HN       TYR   4   5.508  -9.629   1.514
   33    HA   TYR   4           HA       TYR   4   5.715  -8.037  -0.757
   34   1HB   TYR   4          2HB       TYR   4   3.342  -7.646  -0.485
   35   2HB   TYR   4          3HB       TYR   4   3.754  -9.339  -0.208
   36    HD1  TYR   4           HD2      TYR   4   2.854  -6.130   1.479
   37    HD2  TYR   4           HD1      TYR   4   3.077 -10.420   1.835
   38    HE1  TYR   4           HE2      TYR   4   1.323  -6.045   3.404
   39    HE2  TYR   4           HE1      TYR   4   1.593 -10.320   3.820
   40    HH   TYR   4           HH       TYR   4   0.003  -7.311   4.847
   41    QB   TYR   4           QB       TYR   4   3.548  -8.492  -0.347
   42    QR   TYR   4           QR       TYR   4   2.212  -8.228   2.634
   43    H    CYS   5           HN       CYS   5   6.032  -7.033   2.566
   44    HA   CYS   5           HA       CYS   5   5.049  -4.385   2.270
   45   1HB   CYS   5          2HB       CYS   5   5.763  -5.798   4.375
   46   2HB   CYS   5          3HB       CYS   5   7.306  -4.959   4.191
   47    QB   CYS   5           QB       CYS   5   6.534  -5.379   4.283
   48    H    LYS   6           HN       LYS   6   7.945  -5.902   1.071
   49    HA   LYS   6           HA       LYS   6   9.437  -3.469   0.567
   50   1HB   LYS   6          2HB       LYS   6  10.530  -5.549   1.000
   51   2HB   LYS   6          3HB       LYS   6   9.707  -6.338  -0.361
   52   1HG   LYS   6          2HG       LYS   6  10.874  -5.164  -1.959
   53   2HG   LYS   6          3HG       LYS   6  11.342  -3.858  -0.832
   54   1HD   LYS   6          2HD       LYS   6  12.965  -5.186   0.265
   55   2HD   LYS   6          3HD       LYS   6  12.302  -6.689  -0.380
   56   1HE   LYS   6          2HE       LYS   6  14.449  -6.073  -1.498
   57   2HE   LYS   6          3HE       LYS   6  13.092  -6.228  -2.621
   58   1HZ   LYS   6          2HZ       LYS   6  14.146  -3.681  -1.583
   59   2HZ   LYS   6          3HZ       LYS   6  14.405  -4.293  -3.087
   60   3HZ   LYS   6          1HZ       LYS   6  12.891  -3.842  -2.637
   61    QB   LYS   6           QB       LYS   6  10.119  -5.944   0.320
   62    QG   LYS   6           QG       LYS   6  11.108  -4.511  -1.396
   63    QD   LYS   6           QD       LYS   6  12.633  -5.937  -0.057
   64    QE   LYS   6           QE       LYS   6  13.771  -6.150  -2.060
   65    QZ   LYS   6           QZ       LYS   6  13.814  -3.939  -2.436
   66    H    LEU   7           HN       LEU   7   6.664  -4.875  -1.014
   67    HA   LEU   7           HA       LEU   7   7.381  -4.164  -3.676
   68   1HB   LEU   7          2HB       LEU   7   4.689  -4.501  -2.318
   69   2HB   LEU   7          3HB       LEU   7   4.894  -4.252  -4.046
   70    HG   LEU   7           HG       LEU   7   6.412  -6.518  -2.740
   71   1HD1  LEU   7          1HD1      LEU   7   3.746  -6.560  -2.338
   72   2HD1  LEU   7          2HD1      LEU   7   3.802  -7.192  -4.004
   73   3HD1  LEU   7          3HD1      LEU   7   4.690  -8.017  -2.750
   74   1HD2  LEU   7          2HD2      LEU   7   5.146  -6.068  -5.487
   75   2HD2  LEU   7          3HD2      LEU   7   6.874  -5.893  -5.108
   76   3HD2  LEU   7          1HD2      LEU   7   6.092  -7.492  -5.009
   77    QB   LEU   7           QB       LEU   7   4.792  -4.376  -3.182
   78    QD1  LEU   7           QD1      LEU   7   4.079  -7.256  -3.031
   79    QD2  LEU   7           QD2      LEU   7   6.037  -6.484  -5.201
   80    QQD  LEU   7           QQD      LEU   7   5.058  -6.870  -4.116
   81    HA   PRO   8           HA       PRO   8   7.233   0.179  -3.069
   82   1HB   PRO   8          2HB       PRO   8   7.261   1.133  -5.639
   83   2HB   PRO   8          3HB       PRO   8   8.591   0.142  -4.979
   84   1HG   PRO   8          2HG       PRO   8   6.218  -0.827  -6.606
   85   2HG   PRO   8          3HG       PRO   8   7.953  -1.090  -6.957
   86   1HD   PRO   8          2HD       PRO   8   6.496  -2.959  -5.604
   87   2HD   PRO   8          3HD       PRO   8   8.185  -2.587  -5.131
   88    QB   PRO   8           QB       PRO   8   7.926   0.638  -5.309
   89    QG   PRO   8           QG       PRO   8   7.086  -0.958  -6.781
   90    QD   PRO   8           QD       PRO   8   7.340  -2.773  -5.368
   91    H    LEU   9           HN       LEU   9   6.027   2.232  -4.180
   92    HA   LEU   9           HA       LEU   9   3.240   2.157  -3.635
   93   1HB   LEU   9          2HB       LEU   9   4.507   4.271  -3.744
   94   2HB   LEU   9          3HB       LEU   9   4.880   3.987  -5.441
   95    HG   LEU   9           HG       LEU   9   2.566   4.244  -6.101
   96   1HD1  LEU   9          3HD1      LEU   9   1.895   4.526  -3.138
   97   2HD1  LEU   9          1HD1      LEU   9   0.812   4.927  -4.468
   98   3HD1  LEU   9          2HD1      LEU   9   1.313   3.259  -4.222
   99   1HD2  LEU   9          2HD2      LEU   9   3.924   6.276  -5.839
  100   2HD2  LEU   9          3HD2      LEU   9   2.217   6.594  -5.489
  101   3HD2  LEU   9          1HD2      LEU   9   3.379   6.438  -4.156
  102    QB   LEU   9           QB       LEU   9   4.693   4.129  -4.592
  103    QD1  LEU   9           QD1      LEU   9   1.340   4.237  -3.943
  104    QD2  LEU   9           QD2      LEU   9   3.173   6.436  -5.161
  105    QQD  LEU   9           QQD      LEU   9   2.257   5.337  -4.552
  106    NH1  ARG  10           NH2      ARG  10   3.831  -2.056 -11.148
  107    NH2  ARG  10           NH1      ARG  10   2.981  -4.178 -11.536
  108    H    ARG  10           HN       ARG  10   1.688   1.175  -4.765
  109    HA   ARG  10           HA       ARG  10   2.131   0.519  -7.628
  110   1HB   ARG  10          2HB       ARG  10   2.873  -1.247  -5.970
  111   2HB   ARG  10          3HB       ARG  10   1.189  -1.368  -5.445
  112   1HG   ARG  10          2HG       ARG  10   1.800  -3.137  -7.031
  113   2HG   ARG  10          3HG       ARG  10   0.537  -2.106  -7.715
  114   1HD   ARG  10          2HD       ARG  10   2.130  -1.008  -9.176
  115   2HD   ARG  10          3HD       ARG  10   3.504  -1.761  -8.319
  116    HE   ARG  10           HE       ARG  10   1.836  -3.819  -9.306
  117   1HH1  ARG  10          2HH2      ARG  10   3.906  -1.244 -10.554
  118   2HH1  ARG  10          1HH2      ARG  10   4.335  -2.061 -12.022
  119   1HH2  ARG  10          2HH1      ARG  10   2.422  -4.968 -11.247
  120   2HH2  ARG  10          1HH1      ARG  10   3.472  -4.237 -12.417
  121    QB   ARG  10           QB       ARG  10   2.031  -1.308  -5.708
  122    QG   ARG  10           QG       ARG  10   1.168  -2.621  -7.373
  123    QD   ARG  10           QD       ARG  10   2.817  -1.384  -8.747
  124    QH1  ARG  10           QH2      ARG  10   4.120  -1.653 -11.288
  125    QH2  ARG  10           QH1      ARG  10   2.947  -4.603 -11.832
  126    H    ILE  11           HN       ILE  11   0.736   2.341  -7.850
  127    HA   ILE  11           HA       ILE  11  -1.945   2.463  -6.947
  128    HB   ILE  11           HB       ILE  11  -0.810   3.546  -9.555
  129   1HG1  ILE  11          2HG1      ILE  11  -0.772   4.610  -6.693
  130   2HG1  ILE  11          3HG1      ILE  11   0.617   4.301  -7.746
  131   1HG2  ILE  11          2HG2      ILE  11  -3.183   4.355  -7.822
  132   2HG2  ILE  11          3HG2      ILE  11  -2.641   5.234  -9.260
  133   3HG2  ILE  11          1HG2      ILE  11  -3.279   3.601  -9.417
  134   1HD1  ILE  11          3HD1      ILE  11  -0.229   6.124  -9.273
  135   2HD1  ILE  11          1HD1      ILE  11  -1.381   6.554  -7.976
  136   3HD1  ILE  11          2HD1      ILE  11   0.358   6.628  -7.673
  137    QG1  ILE  11           QG1      ILE  11  -0.078   4.456  -7.219
  138    QG2  ILE  11           QG2      ILE  11  -3.034   4.397  -8.833
  139    QD1  ILE  11           QD1      ILE  11  -0.417   6.435  -8.307
  140    H    GLY  12           HN       GLY  12  -0.493   0.936  -9.819
  141   1HA   GLY  12          1HA       GLY  12  -1.086  -1.118 -10.693
  142   2HA   GLY  12          2HA       GLY  12  -2.665  -1.106  -9.905
  143    QA   GLY  12           QA       GLY  12  -1.876  -1.112 -10.299
  144    HA   PRO  13           HA       PRO  13  -2.309   0.289 -14.402
  145   1HB   PRO  13          2HB       PRO  13  -3.553  -1.734 -15.783
  146   2HB   PRO  13          3HB       PRO  13  -1.872  -1.812 -15.197
  147   1HG   PRO  13          2HG       PRO  13  -4.342  -2.912 -13.826
  148   2HG   PRO  13          3HG       PRO  13  -2.810  -3.771 -14.165
  149   1HD   PRO  13          2HD       PRO  13  -3.267  -2.645 -11.749
  150   2HD   PRO  13          3HD       PRO  13  -1.652  -2.526 -12.499
  151    QB   PRO  13           QB       PRO  13  -2.713  -1.773 -15.490
  152    QG   PRO  13           QG       PRO  13  -3.576  -3.341 -13.995
  153    QD   PRO  13           QD       PRO  13  -2.459  -2.585 -12.124
  154    H    CYS  14           HN       CYS  14  -5.260  -0.338 -12.532
  155    HA   CYS  14           HA       CYS  14  -7.049   0.361 -14.713
  156   1HB   CYS  14          2HB       CYS  14  -7.222  -0.451 -11.866
  157   2HB   CYS  14          3HB       CYS  14  -8.526   0.527 -12.419
  158    QB   CYS  14           QB       CYS  14  -7.874   0.038 -12.143
  159    H    LYS  15           HN       LYS  15  -8.662   2.159 -14.327
  160    HA   LYS  15           HA       LYS  15  -7.044   4.611 -13.994
  161   1HB   LYS  15          2HB       LYS  15  -8.814   3.690 -15.992
  162   2HB   LYS  15          3HB       LYS  15  -9.713   4.947 -15.152
  163   1HG   LYS  15          2HG       LYS  15  -8.563   6.056 -16.867
  164   2HG   LYS  15          3HG       LYS  15  -7.634   6.430 -15.408
  165   1HD   LYS  15          2HD       LYS  15  -6.015   4.546 -16.059
  166   2HD   LYS  15          3HD       LYS  15  -7.031   4.228 -17.461
  167   1HE   LYS  15          2HE       LYS  15  -5.233   5.489 -18.315
  168   2HE   LYS  15          3HE       LYS  15  -6.606   6.598 -18.262
  169   1HZ   LYS  15          3HZ       LYS  15  -5.679   7.468 -16.182
  170   2HZ   LYS  15          1HZ       LYS  15  -4.389   6.455 -16.319
  171   3HZ   LYS  15          2HZ       LYS  15  -4.632   7.631 -17.438
  172    QB   LYS  15           QB       LYS  15  -9.264   4.318 -15.572
  173    QG   LYS  15           QG       LYS  15  -8.099   6.243 -16.138
  174    QD   LYS  15           QD       LYS  15  -6.523   4.387 -16.760
  175    QE   LYS  15           QE       LYS  15  -5.920   6.044 -18.288
  176    QZ   LYS  15           QZ       LYS  15  -4.900   7.184 -16.646
  177    NH1  ARG  16           NH2      ARG  16 -10.603  -0.797 -10.220
  178    NH2  ARG  16           NH1      ARG  16 -12.593  -1.334  -9.214
  179    H    ARG  16           HN       ARG  16  -8.994   3.016 -11.867
  180    HA   ARG  16           HA       ARG  16 -10.592   5.346 -11.005
  181   1HB   ARG  16          2HB       ARG  16 -10.381   2.583  -9.766
  182   2HB   ARG  16          3HB       ARG  16 -11.529   3.842  -9.334
  183   1HG   ARG  16          2HG       ARG  16 -12.962   3.189 -10.904
  184   2HG   ARG  16          3HG       ARG  16 -11.779   3.517 -12.161
  185   1HD   ARG  16          2HD       ARG  16 -12.428   1.260 -12.424
  186   2HD   ARG  16          3HD       ARG  16 -10.802   1.218 -11.764
  187    HE   ARG  16           HE       ARG  16 -13.333   0.902 -10.143
  188   1HH1  ARG  16          2HH2      ARG  16  -9.913  -0.059 -10.363
  189   2HH1  ARG  16          1HH2      ARG  16 -10.241  -1.727 -10.009
  190   1HH2  ARG  16          2HH1      ARG  16 -13.562  -1.153  -8.999
  191   2HH2  ARG  16          1HH1      ARG  16 -12.165  -2.175  -8.848
  192    QB   ARG  16           QB       ARG  16 -10.955   3.213  -9.550
  193    QG   ARG  16           QG       ARG  16 -12.370   3.353 -11.533
  194    QD   ARG  16           QD       ARG  16 -11.615   1.239 -12.094
  195    QH1  ARG  16           QH2      ARG  16 -10.077  -0.893 -10.186
  196    QH2  ARG  16           QH1      ARG  16 -12.863  -1.664  -8.923
  197    H    LYS  17           HN       LYS  17 -10.551   5.381  -8.358
  198    HA   LYS  17           HA       LYS  17  -7.818   5.489  -7.312
  199   1HB   LYS  17          2HB       LYS  17  -7.996   7.856  -6.732
  200   2HB   LYS  17          3HB       LYS  17  -8.032   7.596  -8.470
  201   1HG   LYS  17          2HG       LYS  17 -10.658   7.762  -8.211
  202   2HG   LYS  17          3HG       LYS  17 -10.291   8.360  -6.591
  203   1HD   LYS  17          2HD       LYS  17 -10.573  10.277  -7.905
  204   2HD   LYS  17          3HD       LYS  17  -8.825  10.130  -7.648
  205   1HE   LYS  17          2HE       LYS  17  -8.590   9.131  -9.944
  206   2HE   LYS  17          3HE       LYS  17 -10.346   9.192 -10.153
  207   1HZ   LYS  17          2HZ       LYS  17 -10.208  11.584 -10.021
  208   2HZ   LYS  17          3HZ       LYS  17  -8.574  11.519  -9.818
  209   3HZ   LYS  17          1HZ       LYS  17  -9.251  11.012 -11.228
  210    QB   LYS  17           QB       LYS  17  -8.014   7.726  -7.601
  211    QG   LYS  17           QG       LYS  17 -10.474   8.061  -7.401
  212    QD   LYS  17           QD       LYS  17  -9.699  10.204  -7.776
  213    QE   LYS  17           QE       LYS  17  -9.468   9.161 -10.048
  214    QZ   LYS  17           QZ       LYS  17  -9.344  11.372 -10.356
  215    H    ILE  18           HN       ILE  18  -8.086   4.401  -5.454
  216    HA   ILE  18           HA       ILE  18 -10.554   4.776  -3.823
  217    HB   ILE  18           HB       ILE  18  -9.012   2.213  -4.356
  218   1HG1  ILE  18          2HG1      ILE  18 -11.840   3.031  -5.180
  219   2HG1  ILE  18          3HG1      ILE  18 -10.442   2.915  -6.260
  220   1HG2  ILE  18          1HG2      ILE  18  -9.877   2.352  -2.020
  221   2HG2  ILE  18          2HG2      ILE  18 -11.496   2.713  -2.651
  222   3HG2  ILE  18          3HG2      ILE  18 -10.736   1.134  -2.946
  223   1HD1  ILE  18          1HD1      ILE  18 -10.208   0.491  -5.618
  224   2HD1  ILE  18          2HD1      ILE  18 -11.811   0.614  -4.855
  225   3HD1  ILE  18          3HD1      ILE  18 -11.634   0.922  -6.588
  226    QG1  ILE  18           QG1      ILE  18 -11.141   2.973  -5.720
  227    QG2  ILE  18           QG2      ILE  18 -10.703   2.066  -2.539
  228    QD1  ILE  18           QD1      ILE  18 -11.218   0.676  -5.687
  229    HA   PRO  19           HA       PRO  19  -7.065   6.081  -1.288
  230   1HB   PRO  19          2HB       PRO  19  -8.369   6.689   1.076
  231   2HB   PRO  19          3HB       PRO  19  -8.292   7.739  -0.368
  232   1HG   PRO  19          2HG       PRO  19 -10.508   5.838   0.412
  233   2HG   PRO  19          3HG       PRO  19 -10.657   7.536  -0.132
  234   1HD   PRO  19          2HD       PRO  19 -11.041   5.482  -1.827
  235   2HD   PRO  19          3HD       PRO  19 -10.148   6.931  -2.391
  236    QB   PRO  19           QB       PRO  19  -8.330   7.214   0.354
  237    QG   PRO  19           QG       PRO  19 -10.582   6.687   0.140
  238    QD   PRO  19           QD       PRO  19 -10.594   6.207  -2.109
  239    H    SER  20           HN       SER  20  -5.622   4.732  -0.321
  240    HA   SER  20           HA       SER  20  -6.473   2.809   1.738
  241   1HB   SER  20          2HB       SER  20  -4.637   1.918  -0.528
  242   2HB   SER  20          3HB       SER  20  -5.293   0.940   0.790
  243    HG   SER  20           HG       SER  20  -6.928   2.222  -1.121
  244    QB   SER  20           QB       SER  20  -4.965   1.429   0.131
  245    H    PHE  21           HN       PHE  21  -4.263   1.781   2.561
  246    HA   PHE  21           HA       PHE  21  -2.107   3.831   2.555
  247   1HB   PHE  21          2HB       PHE  21  -2.937   1.926   4.779
  248   2HB   PHE  21          3HB       PHE  21  -1.477   2.906   4.812
  249    HD1  PHE  21          2HD       PHE  21  -5.214   3.100   4.759
  250    HD2  PHE  21          1HD       PHE  21  -1.522   5.227   5.415
  251    HE1  PHE  21          2HE       PHE  21  -6.467   4.950   5.827
  252    HE2  PHE  21          1HE       PHE  21  -2.787   7.111   6.410
  253    HZ   PHE  21           HZ       PHE  21  -5.250   6.946   6.687
  254    QB   PHE  21           QB       PHE  21  -2.207   2.416   4.796
  255    QR   PHE  21           QR       PHE  21  -3.997   5.097   5.603
  256    OH   TYR  22           OH       TYR  22   4.355   5.509  -1.488
  257    H    TYR  22           HN       TYR  22   0.020   3.022   2.260
  258    HA   TYR  22           HA       TYR  22   0.359   0.111   1.917
  259   1HB   TYR  22          2HB       TYR  22   1.558   0.303  -0.038
  260   2HB   TYR  22          3HB       TYR  22   0.141   1.246  -0.421
  261    HD1  TYR  22           HD2      TYR  22   0.509   3.916   0.310
  262    HD2  TYR  22           HD1      TYR  22   3.546   1.083  -0.870
  263    HE1  TYR  22           HE2      TYR  22   1.972   5.771  -0.364
  264    HE2  TYR  22           HE1      TYR  22   4.973   2.948  -1.634
  265    HH   TYR  22           HH       TYR  22   3.873   6.339  -1.480
  266    QB   TYR  22           QB       TYR  22   0.849   0.775  -0.229
  267    QR   TYR  22           QR       TYR  22   2.750   3.429  -0.640
  268    OH   TYR  23           OH       TYR  23   9.360  -0.502   6.978
  269    H    TYR  23           HN       TYR  23   2.734  -0.385   2.046
  270    HA   TYR  23           HA       TYR  23   4.103   1.469   3.922
  271   1HB   TYR  23          2HB       TYR  23   3.836  -0.937   4.473
  272   2HB   TYR  23          3HB       TYR  23   4.824  -1.325   3.077
  273    HD1  TYR  23           HD1      TYR  23   7.213  -0.723   2.993
  274    HD2  TYR  23           HD2      TYR  23   4.853  -0.261   6.554
  275    HE1  TYR  23           HE1      TYR  23   9.246  -0.908   4.393
  276    HE2  TYR  23           HE2      TYR  23   6.910  -0.116   7.906
  277    HH   TYR  23           HH       TYR  23   9.234  -0.139   7.858
  278    QB   TYR  23           QB       TYR  23   4.330  -1.131   3.775
  279    QR   TYR  23           QR       TYR  23   7.056  -0.502   5.461
  280    H    LYS  24           HN       LYS  24   5.416   2.992   2.943
  281    HA   LYS  24           HA       LYS  24   6.342   2.525   0.162
  282   1HB   LYS  24          2HB       LYS  24   5.518   4.707   0.918
  283   2HB   LYS  24          3HB       LYS  24   6.833   4.822   2.089
  284   1HG   LYS  24          2HG       LYS  24   8.476   4.769   0.184
  285   2HG   LYS  24          3HG       LYS  24   7.114   4.682  -0.960
  286   1HD   LYS  24          2HD       LYS  24   6.257   6.825  -0.152
  287   2HD   LYS  24          3HD       LYS  24   7.530   6.900   1.084
  288   1HE   LYS  24          2HE       LYS  24   9.251   7.071  -0.692
  289   2HE   LYS  24          3HE       LYS  24   7.979   7.008  -1.930
  290   1HZ   LYS  24          3HZ       LYS  24   8.239   9.094   0.145
  291   2HZ   LYS  24          1HZ       LYS  24   8.661   9.266  -1.430
  292   3HZ   LYS  24          2HZ       LYS  24   7.086   9.045  -1.025
  293    QB   LYS  24           QB       LYS  24   6.176   4.765   1.504
  294    QG   LYS  24           QG       LYS  24   7.795   4.726  -0.388
  295    QD   LYS  24           QD       LYS  24   6.893   6.862   0.466
  296    QE   LYS  24           QE       LYS  24   8.615   7.039  -1.311
  297    QZ   LYS  24           QZ       LYS  24   7.995   9.135  -0.770
  298    CH2  TRP  25           CH2      TRP  25  12.192  -4.353   4.053
  299    H    TRP  25           HN       TRP  25   7.725   0.709   0.387
  300    HA   TRP  25           HA       TRP  25   9.624   0.382   2.412
  301   1HB   TRP  25          2HB       TRP  25   8.953  -1.349   0.830
  302   2HB   TRP  25          3HB       TRP  25   9.879  -0.574  -0.453
  303    HD1  TRP  25           HD1      TRP  25  12.480  -0.765  -0.372
  304    HE1  TRP  25           HE1      TRP  25  14.178  -2.171   0.940
  305    HE3  TRP  25           HE3      TRP  25   9.306  -2.886   3.000
  306    HZ2  TRP  25           HZ2      TRP  25  14.133  -4.043   3.155
  307    HZ3  TRP  25           HZ3      TRP  25  10.125  -4.495   4.677
  308    HH2  TRP  25           HH2      TRP  25  12.550  -5.062   4.787
  309    QB   TRP  25           QB       TRP  25   9.416  -0.961   0.188
  310    H    LYS  26           HN       LYS  26   9.889   2.340  -0.534
  311    HA   LYS  26           HA       LYS  26  12.635   2.926  -0.402
  312   1HB   LYS  26          2HB       LYS  26  10.896   3.560  -2.187
  313   2HB   LYS  26          3HB       LYS  26  10.515   4.954  -1.161
  314   1HG   LYS  26          2HG       LYS  26  13.041   5.497  -1.215
  315   2HG   LYS  26          3HG       LYS  26  13.216   4.223  -2.417
  316   1HD   LYS  26          2HD       LYS  26  11.530   6.757  -2.689
  317   2HD   LYS  26          3HD       LYS  26  13.146   6.497  -3.358
  318   1HE   LYS  26          2HE       LYS  26  12.207   4.536  -4.687
  319   2HE   LYS  26          3HE       LYS  26  10.590   5.029  -4.157
  320   1HZ   LYS  26          3HZ       LYS  26  10.988   7.165  -5.243
  321   2HZ   LYS  26          1HZ       LYS  26  12.471   6.662  -5.743
  322   3HZ   LYS  26          2HZ       LYS  26  11.122   5.923  -6.308
  323    QB   LYS  26           QB       LYS  26  10.706   4.257  -1.674
  324    QG   LYS  26           QG       LYS  26  13.129   4.860  -1.816
  325    QD   LYS  26           QD       LYS  26  12.338   6.627  -3.024
  326    QE   LYS  26           QE       LYS  26  11.398   4.782  -4.422
  327    QZ   LYS  26           QZ       LYS  26  11.527   6.583  -5.765
  328    H    ALA  27           HN       ALA  27  10.020   4.014   1.697
  329    HA   ALA  27           HA       ALA  27  11.845   5.850   3.193
  330   1HB   ALA  27          2HB       ALA  27   9.972   6.978   2.002
  331   2HB   ALA  27          3HB       ALA  27   8.825   5.958   2.904
  332   3HB   ALA  27          1HB       ALA  27   9.855   7.123   3.762
  333    QB   ALA  27           QB       ALA  27   9.551   6.686   2.889
  334    H    LYS  28           HN       LYS  28  10.529   2.827   3.303
  335    HA   LYS  28           HA       LYS  28   9.850   1.368   4.792
  336   1HB   LYS  28          2HB       LYS  28  12.211   2.638   6.169
  337   2HB   LYS  28          3HB       LYS  28  11.386   1.247   6.887
  338   1HG   LYS  28          2HG       LYS  28  11.691  -0.108   4.917
  339   2HG   LYS  28          3HG       LYS  28  12.463   1.225   4.052
  340   1HD   LYS  28          2HD       LYS  28  13.593   0.090   6.627
  341   2HD   LYS  28          3HD       LYS  28  13.967  -0.583   5.028
  342   1HE   LYS  28          2HE       LYS  28  14.815   1.619   4.253
  343   2HE   LYS  28          3HE       LYS  28  14.469   2.327   5.838
  344   1HZ   LYS  28          1HZ       LYS  28  16.394   0.155   5.325
  345   2HZ   LYS  28          2HZ       LYS  28  16.761   1.730   5.607
  346   3HZ   LYS  28          3HZ       LYS  28  16.075   0.829   6.795
  347    QB   LYS  28           QB       LYS  28  11.798   1.943   6.528
  348    QG   LYS  28           QG       LYS  28  12.077   0.559   4.485
  349    QD   LYS  28           QD       LYS  28  13.780  -0.246   5.827
  350    QE   LYS  28           QE       LYS  28  14.642   1.973   5.045
  351    QZ   LYS  28           QZ       LYS  28  16.410   0.905   5.909
  352    H    GLN  29           HN       GLN  29   7.866   3.054   4.804
  353    HA   GLN  29           HA       GLN  29   6.878   2.846   7.544
  354   1HB   GLN  29          2HB       GLN  29   6.449   5.201   7.902
  355   2HB   GLN  29          3HB       GLN  29   8.178   4.980   7.579
  356   1HG   GLN  29          2HG       GLN  29   7.601   5.564   5.108
  357   2HG   GLN  29          3HG       GLN  29   6.031   6.078   5.739
  358   1HE2  GLN  29          2HE2      GLN  29   9.456   8.226   6.593
  359   2HE2  GLN  29          1HE2      GLN  29   9.541   6.548   6.046
  360    QB   GLN  29           QB       GLN  29   7.314   5.091   7.740
  361    QG   GLN  29           QG       GLN  29   6.816   5.821   5.424
  362    QE2  GLN  29           QE2      GLN  29   9.499   7.387   6.320
  363    H    CYS  30           HN       CYS  30   4.573   3.658   7.737
  364    HA   CYS  30           HA       CYS  30   3.087   2.736   5.339
  365   1HB   CYS  30          2HB       CYS  30   2.376   3.196   8.197
  366   2HB   CYS  30          3HB       CYS  30   1.187   2.697   6.991
  367    QB   CYS  30           QB       CYS  30   1.781   2.947   7.594
  368    H    LEU  31           HN       LEU  31   1.816   4.016   4.143
  369    HA   LEU  31           HA       LEU  31   1.411   6.875   4.884
  370   1HB   LEU  31          2HB       LEU  31   2.610   5.832   2.288
  371   2HB   LEU  31          3HB       LEU  31   2.257   7.518   2.644
  372    HG   LEU  31           HG       LEU  31   4.446   5.806   3.874
  373   1HD1  LEU  31          2HD1      LEU  31   4.658   6.649   1.493
  374   2HD1  LEU  31          3HD1      LEU  31   4.556   8.299   2.114
  375   3HD1  LEU  31          1HD1      LEU  31   5.905   7.258   2.608
  376   1HD2  LEU  31          2HD2      LEU  31   3.717   8.731   4.410
  377   2HD2  LEU  31          3HD2      LEU  31   3.861   7.434   5.617
  378   3HD2  LEU  31          1HD2      LEU  31   5.292   8.023   4.774
  379    QB   LEU  31           QB       LEU  31   2.433   6.675   2.466
  380    QD1  LEU  31           QD1      LEU  31   5.040   7.402   2.072
  381    QD2  LEU  31           QD2      LEU  31   4.290   8.063   4.934
  382    QQD  LEU  31           QQD      LEU  31   4.665   7.732   3.503
  383    HA   PRO  32           HA       PRO  32  -2.406   6.009   2.615
  384   1HB   PRO  32          2HB       PRO  32  -3.306   8.495   2.042
  385   2HB   PRO  32          3HB       PRO  32  -3.245   7.868   3.712
  386   1HG   PRO  32          2HG       PRO  32  -1.185   9.612   2.323
  387   2HG   PRO  32          3HG       PRO  32  -1.944   9.894   3.917
  388   1HD   PRO  32          2HD       PRO  32   0.491   8.700   3.669
  389   2HD   PRO  32          3HD       PRO  32  -0.665   8.161   4.920
  390    QB   PRO  32           QB       PRO  32  -3.276   8.182   2.877
  391    QG   PRO  32           QG       PRO  32  -1.564   9.753   3.120
  392    QD   PRO  32           QD       PRO  32  -0.087   8.430   4.294
  393    H    PHE  33           HN       PHE  33  -3.244   6.089   0.397
  394    HA   PHE  33           HA       PHE  33  -2.136   7.787  -1.587
  395   1HB   PHE  33          2HB       PHE  33  -1.039   6.324  -3.025
  396   2HB   PHE  33          3HB       PHE  33  -0.347   5.929  -1.469
  397    HD1  PHE  33          2HD       PHE  33  -1.888   3.974  -0.172
  398    HD2  PHE  33          1HD       PHE  33  -1.501   4.512  -4.432
  399    HE1  PHE  33          2HE       PHE  33  -2.171   1.544  -0.514
  400    HE2  PHE  33          1HE       PHE  33  -1.641   2.059  -4.746
  401    HZ   PHE  33           HZ       PHE  33  -1.898   0.570  -2.787
  402    QB   PHE  33           QB       PHE  33  -0.693   6.127  -2.247
  403    QR   PHE  33           QR       PHE  33  -1.800   3.022  -2.466
  404    H    ASP  34           HN       ASP  34  -3.148   6.918  -3.864
  405    HA   ASP  34           HA       ASP  34  -5.885   5.874  -3.312
  406   1HB   ASP  34          2HB       ASP  34  -4.872   8.034  -5.122
  407   2HB   ASP  34          3HB       ASP  34  -5.962   6.859  -5.860
  408    QB   ASP  34           QB       ASP  34  -5.417   7.446  -5.491
  409    OH   TYR  35           OH       TYR  35  -5.377  -3.657  -6.844
  410    H    TYR  35           HN       TYR  35  -6.162   3.886  -3.989
  411    HA   TYR  35           HA       TYR  35  -4.163   2.569  -5.733
  412   1HB   TYR  35          2HB       TYR  35  -4.671   1.519  -3.598
  413   2HB   TYR  35          3HB       TYR  35  -6.402   1.614  -3.915
  414    HD1  TYR  35           HD1      TYR  35  -3.452   0.350  -5.920
  415    HD2  TYR  35           HD2      TYR  35  -7.315  -0.491  -4.238
  416    HE1  TYR  35           HE1      TYR  35  -3.671  -1.658  -7.334
  417    HE2  TYR  35           HE2      TYR  35  -7.161  -2.829  -5.137
  418    HH   TYR  35           HH       TYR  35  -6.113  -4.214  -6.581
  419    QB   TYR  35           QB       TYR  35  -5.536   1.566  -3.756
  420    QR   TYR  35           QR       TYR  35  -5.400  -1.157  -5.657
  421    H    SER  36           HN       SER  36  -4.877   1.390  -7.625
  422    HA   SER  36           HA       SER  36  -6.942   2.832  -9.064
  423   1HB   SER  36          2HB       SER  36  -6.342   1.511 -10.941
  424   2HB   SER  36          3HB       SER  36  -4.859   2.084 -10.199
  425    HG   SER  36           HG       SER  36  -4.549   0.042  -9.333
  426    QB   SER  36           QB       SER  36  -5.601   1.797 -10.570
  427    H    GLY  37           HN       GLY  37  -6.971   0.059  -7.074
  428   1HA   GLY  37          1HA       GLY  37  -8.694  -1.413  -6.550
  429   2HA   GLY  37          2HA       GLY  37  -9.719  -0.574  -7.704
  430    QA   GLY  37           QA       GLY  37  -9.206  -0.994  -7.127
  431    H    CYS  38           HN       CYS  38  -6.579  -1.679  -8.925
  432    HA   CYS  38           HA       CYS  38  -7.488  -4.401  -9.509
  433   1HB   CYS  38          2HB       CYS  38  -6.565  -2.546 -11.707
  434   2HB   CYS  38          3HB       CYS  38  -7.030  -4.224 -11.906
  435    QB   CYS  38           QB       CYS  38  -6.797  -3.385 -11.807
  436    H    GLY  39           HN       GLY  39  -5.679  -5.725  -9.792
  437   1HA   GLY  39          1HA       GLY  39  -3.565  -6.429 -10.326
  438   2HA   GLY  39          2HA       GLY  39  -3.094  -4.755 -10.664
  439    QA   GLY  39           QA       GLY  39  -3.330  -5.592 -10.495
  440    H    GLY  40           HN       GLY  40  -3.299  -3.415  -8.702
  441   1HA   GLY  40          1HA       GLY  40  -1.683  -2.641  -7.100
  442   2HA   GLY  40          2HA       GLY  40  -2.774  -3.653  -6.146
  443    QA   GLY  40           QA       GLY  40  -2.228  -3.147  -6.623
  444    H    ASN  41           HN       ASN  41  -1.382  -4.404  -4.657
  445    HA   ASN  41           HA       ASN  41   0.074  -6.759  -5.328
  446   1HB   ASN  41          2HB       ASN  41   2.092  -6.038  -4.082
  447   2HB   ASN  41          3HB       ASN  41   1.901  -5.167  -5.596
  448   1HD2  ASN  41          2HD2      ASN  41   2.697  -2.291  -3.698
  449   2HD2  ASN  41          1HD2      ASN  41   3.089  -3.432  -4.959
  450    QB   ASN  41           QB       ASN  41   1.997  -5.602  -4.839
  451    QD2  ASN  41           QD2      ASN  41   2.893  -2.861  -4.329
  452    H    ALA  42           HN       ALA  42   1.060  -7.293  -2.811
  453    HA   ALA  42           HA       ALA  42  -1.409  -7.379  -1.190
  454   1HB   ALA  42          3HB       ALA  42   1.348  -8.546  -0.722
  455   2HB   ALA  42          1HB       ALA  42  -0.071  -8.822   0.299
  456   3HB   ALA  42          2HB       ALA  42  -0.058  -9.388  -1.383
  457    QB   ALA  42           QB       ALA  42   0.407  -8.919  -0.602
  458    H    ASN  43           HN       ASN  43   1.085  -5.095  -1.527
  459    HA   ASN  43           HA       ASN  43   1.377  -4.396   1.313
  460   1HB   ASN  43          2HB       ASN  43   3.239  -4.272  -0.472
  461   2HB   ASN  43          3HB       ASN  43   2.382  -2.891  -1.145
  462   1HD2  ASN  43          2HD2      ASN  43   4.828  -1.281   0.965
  463   2HD2  ASN  43          1HD2      ASN  43   4.784  -2.168  -0.518
  464    QB   ASN  43           QB       ASN  43   2.811  -3.581  -0.808
  465    QD2  ASN  43           QD2      ASN  43   4.806  -1.724   0.224
  466    NH1  ARG  44           NH2      ARG  44  -6.835  -2.756  -1.567
  467    NH2  ARG  44           NH1      ARG  44  -6.047  -4.620  -2.707
  468    H    ARG  44           HN       ARG  44  -1.178  -4.267   1.161
  469    HA   ARG  44           HA       ARG  44  -1.827  -1.399   0.876
  470   1HB   ARG  44          2HB       ARG  44  -2.125  -2.383  -1.377
  471   2HB   ARG  44          3HB       ARG  44  -3.321  -3.506  -0.694
  472   1HG   ARG  44          2HG       ARG  44  -4.758  -1.611  -0.045
  473   2HG   ARG  44          3HG       ARG  44  -3.490  -0.451  -0.469
  474   1HD   ARG  44          2HD       ARG  44  -5.258  -0.622  -2.234
  475   2HD   ARG  44          3HD       ARG  44  -3.629  -0.958  -2.799
  476    HE   ARG  44           HE       ARG  44  -4.120  -3.108  -3.279
  477   1HH1  ARG  44          2HH2      ARG  44  -6.697  -1.795  -1.281
  478   2HH1  ARG  44          1HH2      ARG  44  -7.664  -3.241  -1.259
  479   1HH2  ARG  44          2HH1      ARG  44  -5.304  -5.086  -3.211
  480   2HH2  ARG  44          1HH1      ARG  44  -6.851  -5.163  -2.432
  481    QB   ARG  44           QB       ARG  44  -2.723  -2.944  -1.035
  482    QG   ARG  44           QG       ARG  44  -4.124  -1.031  -0.257
  483    QD   ARG  44           QD       ARG  44  -4.443  -0.790  -2.517
  484    QH1  ARG  44           QH2      ARG  44  -7.180  -2.518  -1.270
  485    QH2  ARG  44           QH1      ARG  44  -6.078  -5.125  -2.821
  486    H    PHE  45           HN       PHE  45  -3.094  -0.803   2.458
  487    HA   PHE  45           HA       PHE  45  -4.668  -2.759   4.096
  488   1HB   PHE  45          2HB       PHE  45  -2.721  -0.634   5.014
  489   2HB   PHE  45          3HB       PHE  45  -3.683  -1.681   6.039
  490    HD1  PHE  45          1HD       PHE  45  -0.778  -1.592   3.695
  491    HD2  PHE  45          2HD       PHE  45  -3.056  -4.033   6.430
  492    HE1  PHE  45          1HE       PHE  45   1.158  -3.111   3.956
  493    HE2  PHE  45          2HE       PHE  45  -1.107  -5.510   6.737
  494    HZ   PHE  45           HZ       PHE  45   1.039  -5.009   5.564
  495    QB   PHE  45           QB       PHE  45  -3.202  -1.157   5.526
  496    QR   PHE  45           QR       PHE  45  -0.946  -3.561   5.205
  497    H    LYS  46           HN       LYS  46  -6.543  -1.950   4.872
  498    HA   LYS  46           HA       LYS  46  -7.596   0.487   3.693
  499   1HB   LYS  46          2HB       LYS  46  -8.637  -1.462   5.780
  500   2HB   LYS  46          3HB       LYS  46  -9.534  -0.043   5.236
  501   1HG   LYS  46          2HG       LYS  46  -8.494  -1.654   2.975
  502   2HG   LYS  46          3HG       LYS  46  -9.567  -2.587   4.017
  503   1HD   LYS  46          2HD       LYS  46 -10.254   0.174   2.932
  504   2HD   LYS  46          3HD       LYS  46 -10.676  -1.319   2.084
  505   1HE   LYS  46          2HE       LYS  46 -12.291  -1.965   3.596
  506   2HE   LYS  46          3HE       LYS  46 -11.488  -1.224   4.978
  507   1HZ   LYS  46          2HZ       LYS  46 -12.960   0.269   2.917
  508   2HZ   LYS  46          3HZ       LYS  46 -13.487  -0.078   4.436
  509   3HZ   LYS  46          1HZ       LYS  46 -12.198   0.916   4.227
  510    QB   LYS  46           QB       LYS  46  -9.085  -0.753   5.508
  511    QG   LYS  46           QG       LYS  46  -9.030  -2.121   3.496
  512    QD   LYS  46           QD       LYS  46 -10.465  -0.573   2.508
  513    QE   LYS  46           QE       LYS  46 -11.890  -1.595   4.287
  514    QZ   LYS  46           QZ       LYS  46 -12.882   0.369   3.860
  515    H    THR  47           HN       THR  47  -5.628  -0.117   6.474
  516    HA   THR  47           HA       THR  47  -6.076   2.699   7.313
  517    HB   THR  47           HB       THR  47  -6.181   2.274   9.601
  518    HG1  THR  47          1HG       THR  47  -6.073  -0.509   9.172
  519   1HG2  THR  47          2HG2      THR  47  -8.368   2.023   8.436
  520   2HG2  THR  47          3HG2      THR  47  -8.115   0.265   8.362
  521   3HG2  THR  47          1HG2      THR  47  -8.260   1.073   9.931
  522    QG2  THR  47           QG2      THR  47  -8.248   1.120   8.909
  523    H    ILE  48           HN       ILE  48  -4.305   3.703   8.200
  524    HA   ILE  48           HA       ILE  48  -1.680   2.752   7.661
  525    HB   ILE  48           HB       ILE  48  -2.653   5.146   8.334
  526   1HG1  ILE  48          2HG1      ILE  48  -0.375   4.787   7.601
  527   2HG1  ILE  48          3HG1      ILE  48  -0.640   6.112   8.750
  528   1HG2  ILE  48          1HG2      ILE  48  -3.507   4.564  10.523
  529   2HG2  ILE  48          2HG2      ILE  48  -1.867   4.202  11.095
  530   3HG2  ILE  48          3HG2      ILE  48  -2.286   5.845  10.612
  531   1HD1  ILE  48          3HD1      ILE  48   0.182   4.735  10.578
  532   2HD1  ILE  48          1HD1      ILE  48   0.422   3.390   9.424
  533   3HD1  ILE  48          2HD1      ILE  48   1.361   4.900   9.261
  534    QG1  ILE  48           QG1      ILE  48  -0.507   5.450   8.176
  535    QG2  ILE  48           QG2      ILE  48  -2.553   4.870  10.743
  536    QD1  ILE  48           QD1      ILE  48   0.655   4.342   9.754
  537    H    GLU  49           HN       GLU  49  -3.777   2.404  10.535
  538    HA   GLU  49           HA       GLU  49  -1.593   1.398  12.066
  539   1HB   GLU  49          2HB       GLU  49  -4.621   1.358  12.472
  540   2HB   GLU  49          3HB       GLU  49  -3.508   0.602  13.627
  541   1HG   GLU  49          2HG       GLU  49  -3.325   3.537  12.768
  542   2HG   GLU  49          3HG       GLU  49  -4.067   2.963  14.267
  543    QB   GLU  49           QB       GLU  49  -4.064   0.980  13.050
  544    QG   GLU  49           QG       GLU  49  -3.696   3.250  13.518
  545    H    GLU  50           HN       GLU  50  -3.975  -0.266  10.034
  546    HA   GLU  50           HA       GLU  50  -3.186  -2.925  10.805
  547   1HB   GLU  50          2HB       GLU  50  -4.356  -1.748   8.254
  548   2HB   GLU  50          3HB       GLU  50  -4.035  -3.478   8.449
  549   1HG   GLU  50          2HG       GLU  50  -5.734  -2.039  10.508
  550   2HG   GLU  50          3HG       GLU  50  -6.421  -2.683   8.995
  551    QB   GLU  50           QB       GLU  50  -4.195  -2.613   8.351
  552    QG   GLU  50           QG       GLU  50  -6.078  -2.361   9.751
  553    H    CYS  51           HN       CYS  51  -2.029  -0.730   8.210
  554    HA   CYS  51           HA       CYS  51   0.026  -2.453   7.216
  555   1HB   CYS  51          2HB       CYS  51  -0.653  -0.413   5.995
  556   2HB   CYS  51          3HB       CYS  51  -0.070   0.604   7.305
  557    QB   CYS  51           QB       CYS  51  -0.361   0.095   6.650
  558    NH1  ARG  52           NH2      ARG  52   2.791   1.927  15.294
  559    NH2  ARG  52           NH1      ARG  52   0.800   3.016  15.619
  560    H    ARG  52           HN       ARG  52   0.210   0.147   9.644
  561    HA   ARG  52           HA       ARG  52   2.939  -0.236  10.117
  562   1HB   ARG  52          2HB       ARG  52   1.363   1.724  10.653
  563   2HB   ARG  52          3HB       ARG  52   0.970   0.854  12.148
  564   1HG   ARG  52          2HG       ARG  52   3.368   0.895  12.759
  565   2HG   ARG  52          3HG       ARG  52   3.791   1.621  11.197
  566   1HD   ARG  52          2HD       ARG  52   3.692   3.318  13.001
  567   2HD   ARG  52          3HD       ARG  52   2.539   3.628  11.705
  568    HE   ARG  52           HE       ARG  52   0.773   3.363  13.185
  569   1HH1  ARG  52          2HH2      ARG  52   3.388   1.289  14.751
  570   2HH1  ARG  52          1HH2      ARG  52   2.873   1.776  16.282
  571   1HH2  ARG  52          2HH1      ARG  52  -0.079   3.296  15.166
  572   2HH2  ARG  52          1HH1      ARG  52   0.838   2.925  16.618
  573    QB   ARG  52           QB       ARG  52   1.167   1.289  11.400
  574    QG   ARG  52           QG       ARG  52   3.579   1.258  11.978
  575    QD   ARG  52           QD       ARG  52   3.115   3.473  12.353
  576    QH1  ARG  52           QH2      ARG  52   3.131   1.532  15.516
  577    QH2  ARG  52           QH1      ARG  52   0.380   3.110  15.892
  578    NH1  ARG  53           NH2      ARG  53   1.044  -0.760  17.694
  579    NH2  ARG  53           NH1      ARG  53  -0.728   0.491  17.018
  580    H    ARG  53           HN       ARG  53   0.114  -1.728  11.730
  581    HA   ARG  53           HA       ARG  53   1.727  -2.875  13.809
  582   1HB   ARG  53          2HB       ARG  53  -0.895  -2.417  13.646
  583   2HB   ARG  53          3HB       ARG  53  -0.949  -4.029  12.957
  584   1HG   ARG  53          2HG       ARG  53  -1.423  -4.099  15.324
  585   2HG   ARG  53          3HG       ARG  53   0.138  -4.879  15.063
  586   1HD   ARG  53          2HD       ARG  53   0.055  -3.387  17.058
  587   2HD   ARG  53          3HD       ARG  53   1.309  -2.927  15.927
  588    HE   ARG  53           HE       ARG  53  -1.140  -1.450  15.413
  589   1HH1  ARG  53          2HH2      ARG  53   1.830  -1.285  17.298
  590   2HH1  ARG  53          1HH2      ARG  53   1.250  -0.120  18.441
  591   1HH2  ARG  53          2HH1      ARG  53  -1.314   0.818  16.239
  592   2HH2  ARG  53          1HH1      ARG  53  -0.554   1.147  17.760
  593    QB   ARG  53           QB       ARG  53  -0.922  -3.223  13.302
  594    QG   ARG  53           QG       ARG  53  -0.643  -4.489  15.193
  595    QD   ARG  53           QD       ARG  53   0.682  -3.157  16.493
  596    QH1  ARG  53           QH2      ARG  53   1.540  -0.703  17.870
  597    QH2  ARG  53           QH1      ARG  53  -0.934   0.983  17.000
  598    H    THR  54           HN       THR  54   0.723  -3.917  10.587
  599    HA   THR  54           HA       THR  54   1.638  -6.642  10.888
  600    HB   THR  54           HB       THR  54   1.198  -4.933   8.393
  601    HG1  THR  54          1HG       THR  54  -0.740  -5.106   9.366
  602   1HG2  THR  54          1HG2      THR  54   1.459  -7.952   8.798
  603   2HG2  THR  54          2HG2      THR  54   0.844  -7.200   7.319
  604   3HG2  THR  54          3HG2      THR  54   2.517  -6.889   7.833
  605    QG2  THR  54           QG2      THR  54   1.606  -7.347   7.984
  606    H    CYS  55           HN       CYS  55   3.087  -3.654   9.429
  607    HA   CYS  55           HA       CYS  55   5.531  -5.194   8.870
  608   1HB   CYS  55          2HB       CYS  55   4.836  -2.435   7.985
  609   2HB   CYS  55          3HB       CYS  55   6.358  -3.293   7.686
  610    QB   CYS  55           QB       CYS  55   5.597  -2.864   7.835
  611    H    VAL  56           HN       VAL  56   4.746  -2.318  10.782
  612    HA   VAL  56           HA       VAL  56   7.421  -2.295  12.068
  613    HB   VAL  56           HB       VAL  56   5.142  -0.282  12.227
  614   1HG1  VAL  56          2HG1      VAL  56   8.057  -0.105  13.012
  615   2HG1  VAL  56          3HG1      VAL  56   7.134   1.350  12.587
  616   3HG1  VAL  56          1HG1      VAL  56   6.603   0.393  13.931
  617   1HG2  VAL  56          1HG2      VAL  56   7.406  -0.287  10.218
  618   2HG2  VAL  56          2HG2      VAL  56   5.660  -0.392   9.883
  619   3HG2  VAL  56          3HG2      VAL  56   6.332   1.088  10.531
  620    QG1  VAL  56           QG1      VAL  56   7.265   0.546  13.176
  621    QG2  VAL  56           QG2      VAL  56   6.466   0.137  10.211
  622    QQG  VAL  56           QQG      VAL  56   6.865   0.341  11.694
  623    H    GLY  57           HN       GLY  57   6.744  -1.313  14.544
  624   1HA   GLY  57          1HA       GLY  57   4.961  -3.249  15.889
  625   2HA   GLY  57          2HA       GLY  57   5.966  -1.992  16.621
  626    QA   GLY  57           QA       GLY  57   5.464  -2.621  16.255
   
  Start of MODEL          17
 Raw file had  626 H/Q atoms
  Start of MODEL   17
    1    H    ALA   1           HN       ALA   1  10.027  -8.534   9.347
    2    HA   ALA   1           HA       ALA   1   8.110  -7.241   9.016
    3   1HB   ALA   1          3HB       ALA   1   9.369  -5.215   8.328
    4   2HB   ALA   1          1HB       ALA   1   9.636  -5.931   6.717
    5   3HB   ALA   1          2HB       ALA   1   7.996  -5.519   7.254
    6    QB   ALA   1           QB       ALA   1   9.000  -5.555   7.433
    7    H    ALA   2           HN       ALA   2   6.445  -7.371   7.030
    8    HA   ALA   2           HA       ALA   2   6.545 -10.056   6.058
    9   1HB   ALA   2          1HB       ALA   2   4.438  -8.858   6.475
   10   2HB   ALA   2          2HB       ALA   2   4.814  -7.709   5.174
   11   3HB   ALA   2          3HB       ALA   2   4.525  -9.419   4.793
   12    QB   ALA   2           QB       ALA   2   4.592  -8.662   5.481
   13    H    LYS   3           HN       LYS   3   6.746 -10.812   3.857
   14    HA   LYS   3           HA       LYS   3   8.930  -9.700   2.418
   15   1HB   LYS   3          2HB       LYS   3   7.130 -11.991   2.128
   16   2HB   LYS   3          3HB       LYS   3   7.313 -11.185   0.577
   17   1HG   LYS   3          2HG       LYS   3   9.065 -12.799   0.640
   18   2HG   LYS   3          3HG       LYS   3   9.770 -11.203   0.812
   19   1HD   LYS   3          2HD       LYS   3  10.951 -12.247   2.450
   20   2HD   LYS   3          3HD       LYS   3   9.599 -11.727   3.448
   21   1HE   LYS   3          2HE       LYS   3  10.066 -14.478   2.176
   22   2HE   LYS   3          3HE       LYS   3  10.221 -14.074   3.889
   23   1HZ   LYS   3          1HZ       LYS   3   7.708 -13.964   2.360
   24   2HZ   LYS   3          2HZ       LYS   3   8.154 -15.193   3.356
   25   3HZ   LYS   3          3HZ       LYS   3   7.874 -13.699   3.982
   26    QB   LYS   3           QB       LYS   3   7.221 -11.588   1.352
   27    QG   LYS   3           QG       LYS   3   9.417 -12.001   0.726
   28    QD   LYS   3           QD       LYS   3  10.275 -11.987   2.949
   29    QE   LYS   3           QE       LYS   3  10.143 -14.276   3.032
   30    QZ   LYS   3           QZ       LYS   3   7.912 -14.285   3.232
   31    OH   TYR   4           OH       TYR   4   1.236  -8.280   5.559
   32    H    TYR   4           HN       TYR   4   5.411  -9.488   1.772
   33    HA   TYR   4           HA       TYR   4   5.652  -7.883  -0.522
   34   1HB   TYR   4          2HB       TYR   4   3.272  -7.319  -0.142
   35   2HB   TYR   4          3HB       TYR   4   3.641  -9.043  -0.032
   36    HD1  TYR   4           HD2      TYR   4   3.246  -6.002   2.207
   37    HD2  TYR   4           HD1      TYR   4   2.605 -10.240   1.698
   38    HE1  TYR   4           HE2      TYR   4   2.386  -6.154   4.497
   39    HE2  TYR   4           HE1      TYR   4   1.425 -10.308   3.865
   40    HH   TYR   4           HH       TYR   4   0.796  -9.109   5.758
   41    QB   TYR   4           QB       TYR   4   3.457  -8.181  -0.087
   42    QR   TYR   4           QR       TYR   4   2.415  -8.176   3.067
   43    H    CYS   5           HN       CYS   5   6.184  -7.043   2.756
   44    HA   CYS   5           HA       CYS   5   5.446  -4.308   2.719
   45   1HB   CYS   5          2HB       CYS   5   6.238  -5.931   4.637
   46   2HB   CYS   5          3HB       CYS   5   7.836  -5.249   4.312
   47    QB   CYS   5           QB       CYS   5   7.037  -5.590   4.475
   48    H    LYS   6           HN       LYS   6   8.109  -6.024   1.207
   49    HA   LYS   6           HA       LYS   6   9.659  -3.615   0.693
   50   1HB   LYS   6          2HB       LYS   6   9.970  -6.518   0.090
   51   2HB   LYS   6          3HB       LYS   6  10.701  -5.358  -1.045
   52   1HG   LYS   6          2HG       LYS   6  11.837  -4.202   0.692
   53   2HG   LYS   6          3HG       LYS   6  11.056  -5.161   1.963
   54   1HD   LYS   6          2HD       LYS   6  13.403  -5.646   1.609
   55   2HD   LYS   6          3HD       LYS   6  12.392  -7.079   1.398
   56   1HE   LYS   6          2HE       LYS   6  13.335  -5.340  -0.945
   57   2HE   LYS   6          3HE       LYS   6  14.358  -6.625  -0.298
   58   1HZ   LYS   6          2HZ       LYS   6  11.632  -7.143  -1.254
   59   2HZ   LYS   6          3HZ       LYS   6  12.958  -7.248  -2.218
   60   3HZ   LYS   6          1HZ       LYS   6  12.812  -8.238  -0.915
   61    QB   LYS   6           QB       LYS   6  10.335  -5.938  -0.477
   62    QG   LYS   6           QG       LYS   6  11.446  -4.681   1.328
   63    QD   LYS   6           QD       LYS   6  12.897  -6.363   1.504
   64    QE   LYS   6           QE       LYS   6  13.846  -5.983  -0.622
   65    QZ   LYS   6           QZ       LYS   6  12.467  -7.543  -1.462
   66    H    LEU   7           HN       LEU   7   6.724  -4.724  -0.741
   67    HA   LEU   7           HA       LEU   7   7.467  -4.178  -3.439
   68   1HB   LEU   7          2HB       LEU   7   4.773  -4.378  -2.091
   69   2HB   LEU   7          3HB       LEU   7   5.006  -4.255  -3.832
   70    HG   LEU   7           HG       LEU   7   6.334  -6.477  -2.240
   71   1HD1  LEU   7          1HD1      LEU   7   3.614  -6.317  -2.262
   72   2HD1  LEU   7          2HD1      LEU   7   3.930  -7.092  -3.839
   73   3HD1  LEU   7          3HD1      LEU   7   4.507  -7.858  -2.387
   74   1HD2  LEU   7          2HD2      LEU   7   5.502  -6.185  -5.168
   75   2HD2  LEU   7          3HD2      LEU   7   7.172  -6.131  -4.555
   76   3HD2  LEU   7          1HD2      LEU   7   6.228  -7.633  -4.444
   77    QB   LEU   7           QB       LEU   7   4.890  -4.317  -2.961
   78    QD1  LEU   7           QD1      LEU   7   4.017  -7.089  -2.830
   79    QD2  LEU   7           QD2      LEU   7   6.301  -6.649  -4.722
   80    QQD  LEU   7           QQD      LEU   7   5.159  -6.869  -3.776
   81    HA   PRO   8           HA       PRO   8   7.164   0.275  -3.048
   82   1HB   PRO   8          2HB       PRO   8   7.660   1.034  -5.603
   83   2HB   PRO   8          3HB       PRO   8   8.854   0.083  -4.681
   84   1HG   PRO   8          2HG       PRO   8   6.754  -1.009  -6.588
   85   2HG   PRO   8          3HG       PRO   8   8.525  -1.254  -6.680
   86   1HD   PRO   8          2HD       PRO   8   6.897  -3.070  -5.403
   87   2HD   PRO   8          3HD       PRO   8   8.517  -2.645  -4.759
   88    QB   PRO   8           QB       PRO   8   8.257   0.558  -5.142
   89    QG   PRO   8           QG       PRO   8   7.640  -1.132  -6.634
   90    QD   PRO   8           QD       PRO   8   7.707  -2.858  -5.081
   91    H    LEU   9           HN       LEU   9   6.083   2.131  -4.608
   92    HA   LEU   9           HA       LEU   9   3.343   1.870  -4.032
   93   1HB   LEU   9          2HB       LEU   9   4.554   4.018  -4.013
   94   2HB   LEU   9          3HB       LEU   9   4.699   3.974  -5.764
   95    HG   LEU   9           HG       LEU   9   2.319   4.181  -6.070
   96   1HD1  LEU   9          2HD1      LEU   9   2.089   3.641  -3.094
   97   2HD1  LEU   9          3HD1      LEU   9   0.817   4.457  -3.949
   98   3HD1  LEU   9          1HD1      LEU   9   1.282   2.808  -4.408
   99   1HD2  LEU   9          2HD2      LEU   9   3.588   6.245  -5.536
  100   2HD2  LEU   9          3HD2      LEU   9   1.882   6.342  -5.064
  101   3HD2  LEU   9          1HD2      LEU   9   3.128   6.066  -3.827
  102    QB   LEU   9           QB       LEU   9   4.626   3.996  -4.888
  103    QD1  LEU   9           QD1      LEU   9   1.396   3.635  -3.817
  104    QD2  LEU   9           QD2      LEU   9   2.866   6.218  -4.809
  105    QQD  LEU   9           QQD      LEU   9   2.131   4.927  -4.313
  106    NH1  ARG  10           NH2      ARG  10   2.391  -2.723 -12.077
  107    NH2  ARG  10           NH1      ARG  10   2.852  -4.955 -11.658
  108    H    ARG  10           HN       ARG  10   2.360   0.273  -5.054
  109    HA   ARG  10           HA       ARG  10   2.240   0.185  -8.033
  110   1HB   ARG  10          2HB       ARG  10   3.026  -1.763  -6.666
  111   2HB   ARG  10          3HB       ARG  10   1.475  -1.773  -5.843
  112   1HG   ARG  10          2HG       ARG  10   1.544  -3.496  -7.529
  113   2HG   ARG  10          3HG       ARG  10   0.326  -2.287  -7.934
  114   1HD   ARG  10          2HD       ARG  10   1.267  -1.676  -9.835
  115   2HD   ARG  10          3HD       ARG  10   2.934  -1.726  -9.198
  116    HE   ARG  10           HE       ARG  10   2.212  -4.370  -9.309
  117   1HH1  ARG  10          2HH2      ARG  10   2.116  -1.815 -11.735
  118   2HH1  ARG  10          1HH2      ARG  10   2.573  -2.835 -13.062
  119   1HH2  ARG  10          2HH1      ARG  10   2.951  -5.725 -11.011
  120   2HH2  ARG  10          1HH1      ARG  10   3.070  -5.118 -12.629
  121    QB   ARG  10           QB       ARG  10   2.250  -1.768  -6.255
  122    QG   ARG  10           QG       ARG  10   0.935  -2.891  -7.731
  123    QD   ARG  10           QD       ARG  10   2.101  -1.701  -9.516
  124    QH1  ARG  10           QH2      ARG  10   2.345  -2.325 -12.399
  125    QH2  ARG  10           QH1      ARG  10   3.010  -5.421 -11.820
  126    H    ILE  11           HN       ILE  11   0.708   1.929  -8.296
  127    HA   ILE  11           HA       ILE  11  -1.870   1.846  -6.942
  128    HB   ILE  11           HB       ILE  11  -0.995   3.455  -9.387
  129   1HG1  ILE  11          2HG1      ILE  11   0.480   4.092  -7.593
  130   2HG1  ILE  11          3HG1      ILE  11  -0.802   5.310  -7.646
  131   1HG2  ILE  11          3HG2      ILE  11  -3.445   3.560  -7.585
  132   2HG2  ILE  11          1HG2      ILE  11  -2.878   4.998  -8.446
  133   3HG2  ILE  11          2HG2      ILE  11  -3.359   3.556  -9.352
  134   1HD1  ILE  11          2HD1      ILE  11  -2.050   4.018  -5.944
  135   2HD1  ILE  11          3HD1      ILE  11  -0.540   3.150  -5.609
  136   3HD1  ILE  11          1HD1      ILE  11  -0.618   4.935  -5.447
  137    QG1  ILE  11           QG1      ILE  11  -0.161   4.701  -7.619
  138    QG2  ILE  11           QG2      ILE  11  -3.227   4.038  -8.461
  139    QD1  ILE  11           QD1      ILE  11  -1.069   4.034  -5.667
  140    H    GLY  12           HN       GLY  12  -0.616   0.832 -10.071
  141   1HA   GLY  12          1HA       GLY  12  -1.427  -1.099 -11.172
  142   2HA   GLY  12          2HA       GLY  12  -3.047  -0.854 -10.498
  143    QA   GLY  12           QA       GLY  12  -2.237  -0.977 -10.835
  144    HA   PRO  13           HA       PRO  13  -2.518   1.404 -14.621
  145   1HB   PRO  13          2HB       PRO  13  -3.224  -0.367 -16.539
  146   2HB   PRO  13          3HB       PRO  13  -1.612  -0.410 -15.779
  147   1HG   PRO  13          2HG       PRO  13  -4.030  -2.083 -15.037
  148   2HG   PRO  13          3HG       PRO  13  -2.374  -2.660 -15.401
  149   1HD   PRO  13          2HD       PRO  13  -3.234  -2.198 -12.828
  150   2HD   PRO  13          3HD       PRO  13  -1.548  -1.875 -13.337
  151    QB   PRO  13           QB       PRO  13  -2.418  -0.388 -16.159
  152    QG   PRO  13           QG       PRO  13  -3.202  -2.372 -15.219
  153    QD   PRO  13           QD       PRO  13  -2.391  -2.037 -13.082
  154    H    CYS  14           HN       CYS  14  -5.117   0.253 -12.675
  155    HA   CYS  14           HA       CYS  14  -7.171   0.811 -14.716
  156   1HB   CYS  14          2HB       CYS  14  -7.029  -0.273 -11.979
  157   2HB   CYS  14          3HB       CYS  14  -8.468   0.610 -12.353
  158    QB   CYS  14           QB       CYS  14  -7.749   0.169 -12.166
  159    H    LYS  15           HN       LYS  15  -8.888   2.364 -14.108
  160    HA   LYS  15           HA       LYS  15  -7.441   4.955 -13.675
  161   1HB   LYS  15          2HB       LYS  15  -9.050   5.894 -15.252
  162   2HB   LYS  15          3HB       LYS  15  -8.010   4.678 -15.973
  163   1HG   LYS  15          2HG       LYS  15  -9.695   3.103 -16.214
  164   2HG   LYS  15          3HG       LYS  15 -10.729   3.795 -14.956
  165   1HD   LYS  15          2HD       LYS  15 -10.115   5.280 -17.538
  166   2HD   LYS  15          3HD       LYS  15 -11.445   4.109 -17.409
  167   1HE   LYS  15          2HE       LYS  15 -12.456   5.397 -15.545
  168   2HE   LYS  15          3HE       LYS  15 -11.146   6.575 -15.611
  169   1HZ   LYS  15          2HZ       LYS  15 -11.848   7.077 -17.886
  170   2HZ   LYS  15          3HZ       LYS  15 -13.143   6.074 -17.708
  171   3HZ   LYS  15          1HZ       LYS  15 -12.997   7.409 -16.764
  172    QB   LYS  15           QB       LYS  15  -8.530   5.286 -15.613
  173    QG   LYS  15           QG       LYS  15 -10.212   3.449 -15.585
  174    QD   LYS  15           QD       LYS  15 -10.780   4.694 -17.473
  175    QE   LYS  15           QE       LYS  15 -11.801   5.986 -15.578
  176    QZ   LYS  15           QZ       LYS  15 -12.662   6.853 -17.453
  177    NH1  ARG  16           NH2      ARG  16 -12.937   3.619  -7.536
  178    NH2  ARG  16           NH1      ARG  16 -15.230   3.428  -7.859
  179    H    ARG  16           HN       ARG  16  -8.240   3.735 -11.545
  180    HA   ARG  16           HA       ARG  16 -10.645   5.186 -10.583
  181   1HB   ARG  16          2HB       ARG  16  -9.704   2.349 -10.179
  182   2HB   ARG  16          3HB       ARG  16 -10.426   3.189  -8.807
  183   1HG   ARG  16          2HG       ARG  16 -12.387   3.760 -10.385
  184   2HG   ARG  16          3HG       ARG  16 -11.701   2.569 -11.489
  185   1HD   ARG  16          2HD       ARG  16 -12.593   0.871 -10.300
  186   2HD   ARG  16          3HD       ARG  16 -11.813   1.374  -8.819
  187    HE   ARG  16           HE       ARG  16 -14.565   1.676  -9.538
  188   1HH1  ARG  16          2HH2      ARG  16 -12.020   3.247  -7.720
  189   2HH1  ARG  16          1HH2      ARG  16 -13.009   4.363  -6.849
  190   1HH2  ARG  16          2HH1      ARG  16 -16.020   3.009  -8.330
  191   2HH2  ARG  16          1HH1      ARG  16 -15.410   4.132  -7.158
  192    QB   ARG  16           QB       ARG  16 -10.065   2.769  -9.493
  193    QG   ARG  16           QG       ARG  16 -12.044   3.164 -10.937
  194    QD   ARG  16           QD       ARG  16 -12.203   1.122  -9.560
  195    QH1  ARG  16           QH2      ARG  16 -12.514   3.805  -7.284
  196    QH2  ARG  16           QH1      ARG  16 -15.715   3.571  -7.744
  197    H    LYS  17           HN       LYS  17 -10.605   5.443  -8.246
  198    HA   LYS  17           HA       LYS  17  -8.028   5.856  -6.925
  199   1HB   LYS  17          2HB       LYS  17 -10.233   7.932  -7.359
  200   2HB   LYS  17          3HB       LYS  17  -9.107   7.968  -6.009
  201   1HG   LYS  17          2HG       LYS  17  -7.418   7.726  -8.267
  202   2HG   LYS  17          3HG       LYS  17  -8.721   8.797  -8.809
  203   1HD   LYS  17          2HD       LYS  17  -8.323   9.958  -6.428
  204   2HD   LYS  17          3HD       LYS  17  -6.770   9.119  -6.523
  205   1HE   LYS  17          2HE       LYS  17  -6.197  10.321  -8.582
  206   2HE   LYS  17          3HE       LYS  17  -7.787  11.113  -8.585
  207   1HZ   LYS  17          1HZ       LYS  17  -5.803  11.375  -6.416
  208   2HZ   LYS  17          2HZ       LYS  17  -6.043  12.490  -7.610
  209   3HZ   LYS  17          3HZ       LYS  17  -7.236  12.165  -6.525
  210    QB   LYS  17           QB       LYS  17  -9.670   7.950  -6.684
  211    QG   LYS  17           QG       LYS  17  -8.070   8.261  -8.538
  212    QD   LYS  17           QD       LYS  17  -7.547   9.539  -6.476
  213    QE   LYS  17           QE       LYS  17  -6.992  10.717  -8.583
  214    QZ   LYS  17           QZ       LYS  17  -6.361  12.010  -6.851
  215    H    ILE  18           HN       ILE  18  -8.292   4.739  -5.106
  216    HA   ILE  18           HA       ILE  18 -10.807   4.852  -3.536
  217    HB   ILE  18           HB       ILE  18  -9.072   2.385  -4.056
  218   1HG1  ILE  18          2HG1      ILE  18 -11.926   2.904  -4.960
  219   2HG1  ILE  18          3HG1      ILE  18 -10.491   2.893  -6.001
  220   1HG2  ILE  18          3HG2      ILE  18  -9.933   2.488  -1.746
  221   2HG2  ILE  18          1HG2      ILE  18 -11.578   2.741  -2.359
  222   3HG2  ILE  18          2HG2      ILE  18 -10.727   1.201  -2.630
  223   1HD1  ILE  18          2HD1      ILE  18 -10.036   0.550  -5.460
  224   2HD1  ILE  18          3HD1      ILE  18 -11.548   0.474  -4.521
  225   3HD1  ILE  18          1HD1      ILE  18 -11.601   0.802  -6.259
  226    QG1  ILE  18           QG1      ILE  18 -11.208   2.898  -5.481
  227    QG2  ILE  18           QG2      ILE  18 -10.746   2.143  -2.245
  228    QD1  ILE  18           QD1      ILE  18 -11.062   0.608  -5.413
  229    HA   PRO  19           HA       PRO  19  -7.285   6.198  -0.930
  230   1HB   PRO  19          2HB       PRO  19  -8.473   6.319   1.551
  231   2HB   PRO  19          3HB       PRO  19  -8.670   7.564   0.288
  232   1HG   PRO  19          2HG       PRO  19 -10.519   5.232   0.868
  233   2HG   PRO  19          3HG       PRO  19 -10.961   6.960   0.705
  234   1HD   PRO  19          2HD       PRO  19 -11.241   5.285  -1.379
  235   2HD   PRO  19          3HD       PRO  19 -10.542   6.911  -1.662
  236    QB   PRO  19           QB       PRO  19  -8.571   6.942   0.920
  237    QG   PRO  19           QG       PRO  19 -10.740   6.096   0.787
  238    QD   PRO  19           QD       PRO  19 -10.891   6.098  -1.520
  239    H    SER  20           HN       SER  20  -5.665   4.879  -0.022
  240    HA   SER  20           HA       SER  20  -6.386   2.677   1.735
  241   1HB   SER  20          2HB       SER  20  -4.593   1.964  -0.605
  242   2HB   SER  20          3HB       SER  20  -5.400   0.894   0.535
  243    HG   SER  20           HG       SER  20  -7.277   2.278  -0.755
  244    QB   SER  20           QB       SER  20  -4.996   1.429  -0.035
  245    H    PHE  21           HN       PHE  21  -4.239   1.615   2.474
  246    HA   PHE  21           HA       PHE  21  -2.013   3.583   2.539
  247   1HB   PHE  21          2HB       PHE  21  -3.111   1.799   4.748
  248   2HB   PHE  21          3HB       PHE  21  -1.579   2.657   4.841
  249    HD1  PHE  21          2HD       PHE  21  -5.279   3.085   4.654
  250    HD2  PHE  21          1HD       PHE  21  -1.484   5.063   5.154
  251    HE1  PHE  21          2HE       PHE  21  -6.452   5.180   5.258
  252    HE2  PHE  21          1HE       PHE  21  -2.654   7.137   5.840
  253    HZ   PHE  21           HZ       PHE  21  -5.141   7.220   5.828
  254    QB   PHE  21           QB       PHE  21  -2.345   2.228   4.795
  255    QR   PHE  21           QR       PHE  21  -3.967   5.116   5.226
  256    OH   TYR  22           OH       TYR  22   4.492   4.651  -1.703
  257    H    TYR  22           HN       TYR  22   0.041   2.691   2.216
  258    HA   TYR  22           HA       TYR  22   0.366  -0.236   2.129
  259   1HB   TYR  22          2HB       TYR  22   1.396  -0.269   0.104
  260   2HB   TYR  22          3HB       TYR  22   0.018   0.724  -0.296
  261    HD1  TYR  22           HD2      TYR  22   0.715   3.416   0.424
  262    HD2  TYR  22           HD1      TYR  22   3.333   0.307  -1.031
  263    HE1  TYR  22           HE2      TYR  22   2.271   5.121  -0.383
  264    HE2  TYR  22           HE1      TYR  22   4.903   2.034  -1.846
  265    HH   TYR  22           HH       TYR  22   4.064   5.510  -1.677
  266    QB   TYR  22           QB       TYR  22   0.707   0.227  -0.096
  267    QR   TYR  22           QR       TYR  22   2.806   2.719  -0.709
  268    OH   TYR  23           OH       TYR  23   8.668  -0.417   7.801
  269    H    TYR  23           HN       TYR  23   2.773  -0.672   2.016
  270    HA   TYR  23           HA       TYR  23   4.231   1.180   3.816
  271   1HB   TYR  23          2HB       TYR  23   3.898  -1.370   4.191
  272   2HB   TYR  23          3HB       TYR  23   5.160  -1.574   2.992
  273    HD1  TYR  23           HD1      TYR  23   7.455  -0.663   3.413
  274    HD2  TYR  23           HD2      TYR  23   4.418  -0.945   6.405
  275    HE1  TYR  23           HE1      TYR  23   9.166  -0.700   5.204
  276    HE2  TYR  23           HE2      TYR  23   6.088  -0.531   8.170
  277    HH   TYR  23           HH       TYR  23   9.518  -0.077   7.518
  278    QB   TYR  23           QB       TYR  23   4.529  -1.472   3.591
  279    QR   TYR  23           QR       TYR  23   6.782  -0.710   5.798
  280    H    LYS  24           HN       LYS  24   5.433   2.721   2.719
  281    HA   LYS  24           HA       LYS  24   6.498   2.064   0.019
  282   1HB   LYS  24          2HB       LYS  24   5.600   4.279   0.466
  283   2HB   LYS  24          3HB       LYS  24   6.811   4.577   1.703
  284   1HG   LYS  24          2HG       LYS  24   8.582   4.628   0.168
  285   2HG   LYS  24          3HG       LYS  24   7.688   3.776  -1.100
  286   1HD   LYS  24          2HD       LYS  24   6.772   5.630  -1.957
  287   2HD   LYS  24          3HD       LYS  24   6.369   6.284  -0.378
  288   1HE   LYS  24          2HE       LYS  24   9.154   6.647  -0.488
  289   2HE   LYS  24          3HE       LYS  24   8.658   6.874  -2.168
  290   1HZ   LYS  24          3HZ       LYS  24   7.518   8.277   0.163
  291   2HZ   LYS  24          1HZ       LYS  24   8.631   8.905  -0.866
  292   3HZ   LYS  24          2HZ       LYS  24   7.120   8.556  -1.410
  293    QB   LYS  24           QB       LYS  24   6.206   4.428   1.085
  294    QG   LYS  24           QG       LYS  24   8.135   4.202  -0.466
  295    QD   LYS  24           QD       LYS  24   6.570   5.957  -1.167
  296    QE   LYS  24           QE       LYS  24   8.906   6.760  -1.328
  297    QZ   LYS  24           QZ       LYS  24   7.757   8.579  -0.704
  298    CH2  TRP  25           CH2      TRP  25  12.323  -3.924   4.903
  299    H    TRP  25           HN       TRP  25   7.925   0.312   0.546
  300    HA   TRP  25           HA       TRP  25   9.817   0.287   2.565
  301   1HB   TRP  25          2HB       TRP  25   9.292  -1.538   1.008
  302   2HB   TRP  25          3HB       TRP  25  10.299  -0.787  -0.228
  303    HD1  TRP  25           HD1      TRP  25  12.892  -1.130  -0.031
  304    HE1  TRP  25           HE1      TRP  25  14.469  -2.343   1.536
  305    HE3  TRP  25           HE3      TRP  25   9.511  -2.592   3.509
  306    HZ2  TRP  25           HZ2      TRP  25  14.303  -3.803   4.039
  307    HZ3  TRP  25           HZ3      TRP  25  10.235  -3.909   5.465
  308    HH2  TRP  25           HH2      TRP  25  12.631  -4.534   5.740
  309    QB   TRP  25           QB       TRP  25   9.796  -1.162   0.390
  310    H    LYS  26           HN       LYS  26  10.006   2.056  -0.477
  311    HA   LYS  26           HA       LYS  26  12.713   2.818  -0.457
  312   1HB   LYS  26          2HB       LYS  26  10.901   3.171  -2.259
  313   2HB   LYS  26          3HB       LYS  26  10.395   4.577  -1.328
  314   1HG   LYS  26          2HG       LYS  26  11.822   5.551  -2.899
  315   2HG   LYS  26          3HG       LYS  26  12.908   5.327  -1.536
  316   1HD   LYS  26          2HD       LYS  26  14.176   4.500  -3.310
  317   2HD   LYS  26          3HD       LYS  26  13.479   3.022  -2.643
  318   1HE   LYS  26          2HE       LYS  26  11.528   3.724  -4.487
  319   2HE   LYS  26          3HE       LYS  26  12.941   4.463  -5.240
  320   1HZ   LYS  26          3HZ       LYS  26  13.997   2.289  -5.199
  321   2HZ   LYS  26          1HZ       LYS  26  12.663   1.625  -4.493
  322   3HZ   LYS  26          2HZ       LYS  26  12.572   2.240  -6.013
  323    QB   LYS  26           QB       LYS  26  10.648   3.874  -1.793
  324    QG   LYS  26           QG       LYS  26  12.365   5.439  -2.218
  325    QD   LYS  26           QD       LYS  26  13.827   3.761  -2.977
  326    QE   LYS  26           QE       LYS  26  12.235   4.094  -4.864
  327    QZ   LYS  26           QZ       LYS  26  13.077   2.051  -5.235
  328    H    ALA  27           HN       ALA  27  10.070   3.881   1.598
  329    HA   ALA  27           HA       ALA  27  11.801   5.887   2.978
  330   1HB   ALA  27          1HB       ALA  27   9.712   6.810   2.062
  331   2HB   ALA  27          2HB       ALA  27   8.775   5.566   2.920
  332   3HB   ALA  27          3HB       ALA  27   9.678   6.789   3.837
  333    QB   ALA  27           QB       ALA  27   9.388   6.388   2.940
  334    H    LYS  28           HN       LYS  28  10.334   2.791   3.181
  335    HA   LYS  28           HA       LYS  28   9.820   1.326   4.693
  336   1HB   LYS  28          2HB       LYS  28  12.126   2.531   6.258
  337   2HB   LYS  28          3HB       LYS  28  11.162   1.164   6.817
  338   1HG   LYS  28          2HG       LYS  28  11.800   0.103   4.464
  339   2HG   LYS  28          3HG       LYS  28  13.136   1.251   4.572
  340   1HD   LYS  28          2HD       LYS  28  13.041   0.170   7.163
  341   2HD   LYS  28          3HD       LYS  28  12.517  -1.203   6.178
  342   1HE   LYS  28          2HE       LYS  28  14.643  -1.052   4.888
  343   2HE   LYS  28          3HE       LYS  28  15.089   0.409   5.791
  344   1HZ   LYS  28          3HZ       LYS  28  15.113  -0.898   7.803
  345   2HZ   LYS  28          1HZ       LYS  28  14.744  -2.268   6.969
  346   3HZ   LYS  28          2HZ       LYS  28  16.173  -1.497   6.704
  347    QB   LYS  28           QB       LYS  28  11.644   1.847   6.537
  348    QG   LYS  28           QG       LYS  28  12.468   0.677   4.518
  349    QD   LYS  28           QD       LYS  28  12.779  -0.516   6.670
  350    QE   LYS  28           QE       LYS  28  14.866  -0.321   5.339
  351    QZ   LYS  28           QZ       LYS  28  15.344  -1.554   7.159
  352    H    GLN  29           HN       GLN  29   7.836   3.017   4.652
  353    HA   GLN  29           HA       GLN  29   6.896   2.851   7.382
  354   1HB   GLN  29          2HB       GLN  29   8.107   4.995   7.498
  355   2HB   GLN  29          3HB       GLN  29   7.197   5.613   6.110
  356   1HG   GLN  29          2HG       GLN  29   5.157   5.691   7.396
  357   2HG   GLN  29          3HG       GLN  29   5.848   4.665   8.675
  358   1HE2  GLN  29          2HE2      GLN  29   7.226   8.549   8.539
  359   2HE2  GLN  29          1HE2      GLN  29   7.024   7.680   7.028
  360    QB   GLN  29           QB       GLN  29   7.652   5.304   6.804
  361    QG   GLN  29           QG       GLN  29   5.502   5.178   8.036
  362    QE2  GLN  29           QE2      GLN  29   7.125   8.115   7.783
  363    H    CYS  30           HN       CYS  30   4.590   3.368   7.568
  364    HA   CYS  30           HA       CYS  30   3.122   2.510   5.188
  365   1HB   CYS  30          2HB       CYS  30   2.355   3.079   8.033
  366   2HB   CYS  30          3HB       CYS  30   1.192   2.554   6.813
  367    QB   CYS  30           QB       CYS  30   1.773   2.816   7.423
  368    H    LEU  31           HN       LEU  31   1.854   3.807   3.954
  369    HA   LEU  31           HA       LEU  31   1.659   6.706   4.641
  370   1HB   LEU  31          2HB       LEU  31   2.757   5.483   2.089
  371   2HB   LEU  31          3HB       LEU  31   2.433   7.199   2.324
  372    HG   LEU  31           HG       LEU  31   4.581   5.536   3.686
  373   1HD1  LEU  31          3HD1      LEU  31   4.859   6.262   1.288
  374   2HD1  LEU  31          1HD1      LEU  31   4.739   7.945   1.817
  375   3HD1  LEU  31          2HD1      LEU  31   6.091   6.939   2.383
  376   1HD2  LEU  31          3HD2      LEU  31   3.948   8.506   4.058
  377   2HD2  LEU  31          1HD2      LEU  31   3.831   7.265   5.318
  378   3HD2  LEU  31          2HD2      LEU  31   5.406   7.673   4.641
  379    QB   LEU  31           QB       LEU  31   2.595   6.341   2.207
  380    QD1  LEU  31           QD1      LEU  31   5.230   7.049   1.829
  381    QD2  LEU  31           QD2      LEU  31   4.395   7.814   4.672
  382    QQD  LEU  31           QQD      LEU  31   4.812   7.432   3.251
  383    HA   PRO  32           HA       PRO  32  -2.364   6.165   2.673
  384   1HB   PRO  32          2HB       PRO  32  -2.924   8.863   2.171
  385   2HB   PRO  32          3HB       PRO  32  -3.201   8.057   3.717
  386   1HG   PRO  32          2HG       PRO  32  -0.959   9.869   2.894
  387   2HG   PRO  32          3HG       PRO  32  -1.696   9.676   4.509
  388   1HD   PRO  32          2HD       PRO  32   0.736   8.595   3.715
  389   2HD   PRO  32          3HD       PRO  32  -0.267   7.932   5.038
  390    QB   PRO  32           QB       PRO  32  -3.062   8.460   2.944
  391    QG   PRO  32           QG       PRO  32  -1.327   9.772   3.701
  392    QD   PRO  32           QD       PRO  32   0.235   8.264   4.377
  393    H    PHE  33           HN       PHE  33  -3.233   6.142   0.557
  394    HA   PHE  33           HA       PHE  33  -2.346   7.971  -1.464
  395   1HB   PHE  33          2HB       PHE  33  -1.244   6.494  -2.951
  396   2HB   PHE  33          3HB       PHE  33  -0.429   6.266  -1.425
  397    HD1  PHE  33          2HD       PHE  33  -1.396   4.260   0.108
  398    HD2  PHE  33          1HD       PHE  33  -2.401   4.768  -3.999
  399    HE1  PHE  33          2HE       PHE  33  -1.964   1.844  -0.076
  400    HE2  PHE  33          1HE       PHE  33  -2.752   2.333  -4.257
  401    HZ   PHE  33           HZ       PHE  33  -2.515   0.859  -2.215
  402    QB   PHE  33           QB       PHE  33  -0.837   6.380  -2.188
  403    QR   PHE  33           QR       PHE  33  -2.128   3.301  -2.056
  404    H    ASP  34           HN       ASP  34  -3.364   6.985  -3.734
  405    HA   ASP  34           HA       ASP  34  -6.119   6.017  -3.111
  406   1HB   ASP  34          2HB       ASP  34  -4.935   7.832  -5.254
  407   2HB   ASP  34          3HB       ASP  34  -6.466   6.986  -5.471
  408    QB   ASP  34           QB       ASP  34  -5.701   7.409  -5.362
  409    OH   TYR  35           OH       TYR  35  -5.161  -3.578  -6.918
  410    H    TYR  35           HN       TYR  35  -6.148   3.842  -3.528
  411    HA   TYR  35           HA       TYR  35  -4.466   2.636  -5.576
  412   1HB   TYR  35          2HB       TYR  35  -5.092   1.452  -3.453
  413   2HB   TYR  35          3HB       TYR  35  -6.783   1.536  -3.921
  414    HD1  TYR  35           HD1      TYR  35  -3.834   0.639  -6.068
  415    HD2  TYR  35           HD2      TYR  35  -7.322  -0.807  -4.032
  416    HE1  TYR  35           HE1      TYR  35  -3.608  -1.486  -7.254
  417    HE2  TYR  35           HE2      TYR  35  -6.914  -3.069  -5.022
  418    HH   TYR  35           HH       TYR  35  -4.676  -3.411  -7.735
  419    QB   TYR  35           QB       TYR  35  -5.937   1.494  -3.687
  420    QR   TYR  35           QR       TYR  35  -5.420  -1.181  -5.594
  421    H    SER  36           HN       SER  36  -5.301   1.477  -7.435
  422    HA   SER  36           HA       SER  36  -7.589   2.764  -8.711
  423   1HB   SER  36          2HB       SER  36  -7.043   1.432 -10.574
  424   2HB   SER  36          3HB       SER  36  -5.533   2.109  -9.960
  425    HG   SER  36           HG       SER  36  -4.894   0.143  -9.305
  426    QB   SER  36           QB       SER  36  -6.288   1.771 -10.267
  427    H    GLY  37           HN       GLY  37  -6.704  -0.546  -7.829
  428   1HA   GLY  37          1HA       GLY  37  -8.627  -1.858  -6.546
  429   2HA   GLY  37          2HA       GLY  37  -9.530  -1.413  -7.993
  430    QA   GLY  37           QA       GLY  37  -9.079  -1.636  -7.270
  431    H    CYS  38           HN       CYS  38  -6.710  -1.575  -9.455
  432    HA   CYS  38           HA       CYS  38  -6.903  -4.514 -10.038
  433   1HB   CYS  38          2HB       CYS  38  -6.225  -2.261 -11.913
  434   2HB   CYS  38          3HB       CYS  38  -6.571  -3.915 -12.374
  435    QB   CYS  38           QB       CYS  38  -6.398  -3.088 -12.143
  436    H    GLY  39           HN       GLY  39  -4.890  -5.197 -11.261
  437   1HA   GLY  39          1HA       GLY  39  -2.655  -5.754 -10.980
  438   2HA   GLY  39          2HA       GLY  39  -2.533  -4.176 -11.754
  439    QA   GLY  39           QA       GLY  39  -2.594  -4.965 -11.367
  440    H    GLY  40           HN       GLY  40  -3.325  -5.152  -8.387
  441   1HA   GLY  40          1HA       GLY  40  -1.485  -3.089  -7.341
  442   2HA   GLY  40          2HA       GLY  40  -2.657  -3.972  -6.424
  443    QA   GLY  40           QA       GLY  40  -2.071  -3.531  -6.883
  444    H    ASN  41           HN       ASN  41  -1.360  -4.801  -4.845
  445    HA   ASN  41           HA       ASN  41  -0.024  -7.269  -5.394
  446   1HB   ASN  41          2HB       ASN  41   2.044  -6.543  -4.275
  447   2HB   ASN  41          3HB       ASN  41   1.851  -5.761  -5.833
  448   1HD2  ASN  41          2HD2      ASN  41   2.754  -2.774  -4.111
  449   2HD2  ASN  41          1HD2      ASN  41   3.135  -4.019  -5.292
  450    QB   ASN  41           QB       ASN  41   1.947  -6.152  -5.054
  451    QD2  ASN  41           QD2      ASN  41   2.944  -3.397  -4.701
  452    H    ALA  42           HN       ALA  42   1.113  -7.634  -2.899
  453    HA   ALA  42           HA       ALA  42  -1.295  -7.578  -1.153
  454   1HB   ALA  42          1HB       ALA  42  -0.046  -9.685  -1.475
  455   2HB   ALA  42          2HB       ALA  42   1.426  -8.916  -0.854
  456   3HB   ALA  42          3HB       ALA  42   0.029  -9.156   0.216
  457    QB   ALA  42           QB       ALA  42   0.470  -9.252  -0.705
  458    H    ASN  43           HN       ASN  43   0.501  -5.091  -1.722
  459    HA   ASN  43           HA       ASN  43   1.144  -4.464   1.121
  460   1HB   ASN  43          2HB       ASN  43   2.936  -4.325  -0.747
  461   2HB   ASN  43          3HB       ASN  43   2.061  -2.900  -1.322
  462   1HD2  ASN  43          2HD2      ASN  43   4.640  -1.495   0.824
  463   2HD2  ASN  43          1HD2      ASN  43   4.561  -2.305  -0.689
  464    QB   ASN  43           QB       ASN  43   2.498  -3.613  -1.034
  465    QD2  ASN  43           QD2      ASN  43   4.600  -1.900   0.067
  466    NH1  ARG  44           NH2      ARG  44  -2.167  -0.340  -4.365
  467    NH2  ARG  44           NH1      ARG  44  -0.827  -2.173  -4.369
  468    H    ARG  44           HN       ARG  44  -1.336  -4.413   1.251
  469    HA   ARG  44           HA       ARG  44  -2.163  -1.622   0.871
  470   1HB   ARG  44          2HB       ARG  44  -2.701  -3.419  -1.137
  471   2HB   ARG  44          3HB       ARG  44  -4.211  -3.462  -0.244
  472   1HG   ARG  44          2HG       ARG  44  -4.632  -1.157  -0.527
  473   2HG   ARG  44          3HG       ARG  44  -2.946  -0.787  -0.914
  474   1HD   ARG  44          2HD       ARG  44  -4.891  -2.279  -2.704
  475   2HD   ARG  44          3HD       ARG  44  -4.285  -0.665  -2.894
  476    HE   ARG  44           HE       ARG  44  -2.713  -3.232  -3.084
  477   1HH1  ARG  44          2HH2      ARG  44  -3.015   0.135  -4.110
  478   2HH1  ARG  44          1HH2      ARG  44  -1.542   0.071  -5.054
  479   1HH2  ARG  44          2HH1      ARG  44  -0.411  -2.942  -3.842
  480   2HH2  ARG  44          1HH1      ARG  44  -0.280  -1.671  -5.059
  481    QB   ARG  44           QB       ARG  44  -3.456  -3.441  -0.690
  482    QG   ARG  44           QG       ARG  44  -3.789  -0.972  -0.721
  483    QD   ARG  44           QD       ARG  44  -4.588  -1.472  -2.799
  484    QH1  ARG  44           QH2      ARG  44  -2.279   0.103  -4.582
  485    QH2  ARG  44           QH1      ARG  44  -0.345  -2.307  -4.451
  486    H    PHE  45           HN       PHE  45  -3.392  -0.935   2.419
  487    HA   PHE  45           HA       PHE  45  -4.919  -2.754   4.237
  488   1HB   PHE  45          2HB       PHE  45  -2.962  -0.559   4.977
  489   2HB   PHE  45          3HB       PHE  45  -3.908  -1.530   6.086
  490    HD1  PHE  45          1HD       PHE  45  -1.023  -1.544   3.738
  491    HD2  PHE  45          2HD       PHE  45  -3.281  -3.882   6.585
  492    HE1  PHE  45          1HE       PHE  45   0.748  -3.275   3.730
  493    HE2  PHE  45          2HE       PHE  45  -1.474  -5.562   6.628
  494    HZ   PHE  45           HZ       PHE  45   0.481  -5.315   5.137
  495    QB   PHE  45           QB       PHE  45  -3.435  -1.045   5.532
  496    QR   PHE  45           QR       PHE  45  -1.258  -3.566   5.170
  497    H    LYS  46           HN       LYS  46  -6.803  -1.845   4.942
  498    HA   LYS  46           HA       LYS  46  -7.785   0.548   3.610
  499   1HB   LYS  46          2HB       LYS  46  -8.900  -1.121   5.894
  500   2HB   LYS  46          3HB       LYS  46  -9.762   0.217   5.132
  501   1HG   LYS  46          2HG       LYS  46  -8.742  -2.194   3.572
  502   2HG   LYS  46          3HG       LYS  46 -10.310  -2.205   4.350
  503   1HD   LYS  46          2HD       LYS  46  -9.695   0.101   2.459
  504   2HD   LYS  46          3HD       LYS  46  -9.923  -1.505   1.783
  505   1HE   LYS  46          2HE       LYS  46 -12.049  -0.418   1.709
  506   2HE   LYS  46          3HE       LYS  46 -12.126  -1.725   2.888
  507   1HZ   LYS  46          2HZ       LYS  46 -11.723   0.009   4.600
  508   2HZ   LYS  46          3HZ       LYS  46 -11.929   1.159   3.436
  509   3HZ   LYS  46          1HZ       LYS  46 -13.163   0.140   3.814
  510    QB   LYS  46           QB       LYS  46  -9.331  -0.452   5.513
  511    QG   LYS  46           QG       LYS  46  -9.526  -2.199   3.961
  512    QD   LYS  46           QD       LYS  46  -9.809  -0.702   2.121
  513    QE   LYS  46           QE       LYS  46 -12.088  -1.072   2.298
  514    QZ   LYS  46           QZ       LYS  46 -12.272   0.436   3.950
  515    H    THR  47           HN       THR  47  -5.961  -0.069   6.530
  516    HA   THR  47           HA       THR  47  -6.257   2.795   7.314
  517    HB   THR  47           HB       THR  47  -6.241   2.124   9.644
  518    HG1  THR  47          1HG       THR  47  -6.622  -0.147  10.062
  519   1HG2  THR  47          1HG2      THR  47  -8.435   2.444   8.496
  520   2HG2  THR  47          2HG2      THR  47  -8.501   0.693   8.183
  521   3HG2  THR  47          3HG2      THR  47  -8.506   1.301   9.848
  522    QG2  THR  47           QG2      THR  47  -8.481   1.479   8.843
  523    H    ILE  48           HN       ILE  48  -4.459   3.753   8.181
  524    HA   ILE  48           HA       ILE  48  -1.867   2.682   7.497
  525    HB   ILE  48           HB       ILE  48  -2.764   5.166   7.903
  526   1HG1  ILE  48          2HG1      ILE  48  -0.410   4.386   7.211
  527   2HG1  ILE  48          3HG1      ILE  48  -0.746   6.041   7.717
  528   1HG2  ILE  48          2HG2      ILE  48  -3.470   4.877  10.197
  529   2HG2  ILE  48          3HG2      ILE  48  -1.796   4.587  10.704
  530   3HG2  ILE  48          1HG2      ILE  48  -2.256   6.156  10.022
  531   1HD1  ILE  48          2HD1      ILE  48   0.332   3.925   9.583
  532   2HD1  ILE  48          3HD1      ILE  48   1.313   5.129   8.706
  533   3HD1  ILE  48          1HD1      ILE  48   0.134   5.670   9.911
  534    QG1  ILE  48           QG1      ILE  48  -0.578   5.213   7.464
  535    QG2  ILE  48           QG2      ILE  48  -2.507   5.207  10.308
  536    QD1  ILE  48           QD1      ILE  48   0.593   4.908   9.400
  537    H    GLU  49           HN       GLU  49  -3.875   2.581  10.440
  538    HA   GLU  49           HA       GLU  49  -1.710   1.687  12.052
  539   1HB   GLU  49          2HB       GLU  49  -3.423   1.150  13.713
  540   2HB   GLU  49          3HB       GLU  49  -3.753   2.713  12.957
  541   1HG   GLU  49          2HG       GLU  49  -5.210   1.009  11.340
  542   2HG   GLU  49          3HG       GLU  49  -5.336   0.193  12.894
  543    QB   GLU  49           QB       GLU  49  -3.588   1.931  13.335
  544    QG   GLU  49           QG       GLU  49  -5.273   0.601  12.117
  545    H    GLU  50           HN       GLU  50  -4.094  -0.171  10.040
  546    HA   GLU  50           HA       GLU  50  -3.225  -2.682  11.054
  547   1HB   GLU  50          2HB       GLU  50  -5.227  -2.111   9.477
  548   2HB   GLU  50          3HB       GLU  50  -4.056  -2.292   8.172
  549   1HG   GLU  50          2HG       GLU  50  -5.171  -4.404   8.459
  550   2HG   GLU  50          3HG       GLU  50  -3.575  -4.636   9.193
  551    QB   GLU  50           QB       GLU  50  -4.642  -2.201   8.825
  552    QG   GLU  50           QG       GLU  50  -4.373  -4.520   8.826
  553    H    CYS  51           HN       CYS  51  -2.140  -0.797   8.180
  554    HA   CYS  51           HA       CYS  51  -0.002  -2.442   7.377
  555   1HB   CYS  51          2HB       CYS  51  -0.799  -0.488   6.089
  556   2HB   CYS  51          3HB       CYS  51  -0.166   0.603   7.307
  557    QB   CYS  51           QB       CYS  51  -0.482   0.058   6.698
  558    NH1  ARG  52           NH2      ARG  52   3.324   4.051  14.624
  559    NH2  ARG  52           NH1      ARG  52   1.188   4.943  14.756
  560    H    ARG  52           HN       ARG  52   0.105   0.320   9.694
  561    HA   ARG  52           HA       ARG  52   2.898  -0.040  10.192
  562   1HB   ARG  52          2HB       ARG  52   1.397   1.987  10.472
  563   2HB   ARG  52          3HB       ARG  52   0.961   1.354  12.067
  564   1HG   ARG  52          2HG       ARG  52   3.269   1.578  12.803
  565   2HG   ARG  52          3HG       ARG  52   3.848   1.723  11.133
  566   1HD   ARG  52          2HD       ARG  52   3.937   3.934  12.061
  567   2HD   ARG  52          3HD       ARG  52   2.700   3.861  10.834
  568    HE   ARG  52           HE       ARG  52   1.011   4.146  12.373
  569   1HH1  ARG  52          2HH2      ARG  52   4.010   3.528  14.098
  570   2HH1  ARG  52          1HH2      ARG  52   3.534   4.306  15.577
  571   1HH2  ARG  52          2HH1      ARG  52   0.297   5.160  14.331
  572   2HH2  ARG  52          1HH1      ARG  52   1.335   5.213  15.718
  573    QB   ARG  52           QB       ARG  52   1.179   1.671  11.270
  574    QG   ARG  52           QG       ARG  52   3.559   1.651  11.968
  575    QD   ARG  52           QD       ARG  52   3.319   3.898  11.447
  576    QH1  ARG  52           QH2      ARG  52   3.772   3.917  14.838
  577    QH2  ARG  52           QH1      ARG  52   0.816   5.186  15.024
  578    NH1  ARG  53           NH2      ARG  53   0.361  -1.885  18.999
  579    NH2  ARG  53           NH1      ARG  53   2.408  -2.955  18.928
  580    H    ARG  53           HN       ARG  53   0.045  -1.433  11.830
  581    HA   ARG  53           HA       ARG  53   1.636  -2.580  13.959
  582   1HB   ARG  53          2HB       ARG  53  -0.987  -2.110  13.801
  583   2HB   ARG  53          3HB       ARG  53  -1.023  -3.722  13.084
  584   1HG   ARG  53          2HG       ARG  53  -1.353  -4.052  15.405
  585   2HG   ARG  53          3HG       ARG  53   0.355  -4.441  15.179
  586   1HD   ARG  53          2HD       ARG  53   0.262  -1.615  15.652
  587   2HD   ARG  53          3HD       ARG  53  -0.939  -2.320  16.739
  588    HE   ARG  53           HE       ARG  53   1.950  -3.256  16.569
  589   1HH1  ARG  53          2HH2      ARG  53  -0.454  -1.546  18.517
  590   2HH1  ARG  53          1HH2      ARG  53   0.500  -1.640  19.966
  591   1HH2  ARG  53          2HH1      ARG  53   3.122  -3.328  18.289
  592   2HH2  ARG  53          1HH1      ARG  53   2.648  -2.733  19.878
  593    QB   ARG  53           QB       ARG  53  -1.005  -2.916  13.443
  594    QG   ARG  53           QG       ARG  53  -0.499  -4.247  15.292
  595    QD   ARG  53           QD       ARG  53  -0.338  -1.967  16.195
  596    QH1  ARG  53           QH2      ARG  53   0.023  -1.593  19.241
  597    QH2  ARG  53           QH1      ARG  53   2.885  -3.031  19.083
  598    H    THR  54           HN       THR  54   0.760  -3.578  10.671
  599    HA   THR  54           HA       THR  54   1.485  -6.350  10.984
  600    HB   THR  54           HB       THR  54   0.996  -4.476   8.647
  601    HG1  THR  54          1HG       THR  54  -0.278  -6.649   9.887
  602   1HG2  THR  54          1HG2      THR  54   1.917  -7.365   8.397
  603   2HG2  THR  54          2HG2      THR  54   1.164  -6.371   7.131
  604   3HG2  THR  54          3HG2      THR  54   2.738  -5.912   7.771
  605    QG2  THR  54           QG2      THR  54   1.940  -6.549   7.766
  606    H    CYS  55           HN       CYS  55   3.255  -3.496   9.709
  607    HA   CYS  55           HA       CYS  55   5.684  -5.271   9.499
  608   1HB   CYS  55          2HB       CYS  55   5.009  -2.663   8.178
  609   2HB   CYS  55          3HB       CYS  55   6.641  -3.353   8.212
  610    QB   CYS  55           QB       CYS  55   5.825  -3.008   8.195
  611    H    VAL  56           HN       VAL  56   4.618  -2.361  11.217
  612    HA   VAL  56           HA       VAL  56   7.329  -1.986  12.370
  613    HB   VAL  56           HB       VAL  56   4.944  -0.080  12.489
  614   1HG1  VAL  56          3HG1      VAL  56   7.912   0.231  13.092
  615   2HG1  VAL  56          1HG1      VAL  56   6.850   1.611  12.771
  616   3HG1  VAL  56          2HG1      VAL  56   6.526   0.598  14.159
  617   1HG2  VAL  56          2HG2      VAL  56   7.175  -0.215  10.447
  618   2HG2  VAL  56          3HG2      VAL  56   5.407  -0.319  10.187
  619   3HG2  VAL  56          1HG2      VAL  56   6.131   1.201  10.691
  620    QG1  VAL  56           QG1      VAL  56   7.096   0.813  13.341
  621    QG2  VAL  56           QG2      VAL  56   6.238   0.222  10.442
  622    QQG  VAL  56           QQG      VAL  56   6.667   0.518  11.891
  623    H    GLY  57           HN       GLY  57   6.740  -1.124  14.879
  624   1HA   GLY  57          1HA       GLY  57   6.144  -3.443  16.306
  625   2HA   GLY  57          2HA       GLY  57   6.101  -1.793  16.955
  626    QA   GLY  57           QA       GLY  57   6.123  -2.618  16.630
   
  Start of MODEL          18
 Raw file had  626 H/Q atoms
  Start of MODEL   18
    1    H    ALA   1           HN       ALA   1   8.199  -7.678  10.811
    2    HA   ALA   1           HA       ALA   1   6.701  -6.446   8.631
    3   1HB   ALA   1          2HB       ALA   1   8.930  -5.525   8.851
    4   2HB   ALA   1          3HB       ALA   1   9.609  -7.145   8.537
    5   3HB   ALA   1          1HB       ALA   1   8.631  -6.316   7.297
    6    QB   ALA   1           QB       ALA   1   9.057  -6.329   8.228
    7    H    ALA   2           HN       ALA   2   6.189  -7.386   6.779
    8    HA   ALA   2           HA       ALA   2   6.221 -10.363   6.686
    9   1HB   ALA   2          1HB       ALA   2   3.941  -9.423   7.063
   10   2HB   ALA   2          2HB       ALA   2   4.146  -8.378   5.640
   11   3HB   ALA   2          3HB       ALA   2   4.102 -10.145   5.449
   12    QB   ALA   2           QB       ALA   2   4.063  -9.315   6.051
   13    H    LYS   3           HN       LYS   3   6.616 -11.187   4.599
   14    HA   LYS   3           HA       LYS   3   8.710 -10.095   3.252
   15   1HB   LYS   3          2HB       LYS   3   7.161 -12.418   3.055
   16   2HB   LYS   3          3HB       LYS   3   6.936 -11.700   1.469
   17   1HG   LYS   3          2HG       LYS   3   9.606 -12.330   2.806
   18   2HG   LYS   3          3HG       LYS   3   8.759 -13.339   1.625
   19   1HD   LYS   3          2HD       LYS   3   8.942 -11.484  -0.072
   20   2HD   LYS   3          3HD       LYS   3   9.805 -10.509   1.116
   21   1HE   LYS   3          2HE       LYS   3  11.454 -11.477  -0.333
   22   2HE   LYS   3          3HE       LYS   3  11.607 -12.246   1.249
   23   1HZ   LYS   3          2HZ       LYS   3  10.252 -13.403  -1.107
   24   2HZ   LYS   3          3HZ       LYS   3  11.731 -13.831  -0.539
   25   3HZ   LYS   3          1HZ       LYS   3  10.396 -14.140   0.358
   26    QB   LYS   3           QB       LYS   3   7.048 -12.059   2.262
   27    QG   LYS   3           QG       LYS   3   9.183 -12.834   2.216
   28    QD   LYS   3           QD       LYS   3   9.374 -10.997   0.522
   29    QE   LYS   3           QE       LYS   3  11.531 -11.862   0.458
   30    QZ   LYS   3           QZ       LYS   3  10.793 -13.791  -0.429
   31    OH   TYR   4           OH       TYR   4   0.182  -7.816   5.025
   32    H    TYR   4           HN       TYR   4   5.268  -9.789   2.265
   33    HA   TYR   4           HA       TYR   4   5.753  -8.412  -0.129
   34   1HB   TYR   4          2HB       TYR   4   3.427  -7.885  -0.059
   35   2HB   TYR   4          3HB       TYR   4   3.700  -9.569   0.397
   36    HD1  TYR   4           HD2      TYR   4   2.614  -6.218   1.541
   37    HD2  TYR   4           HD1      TYR   4   3.055 -10.376   2.605
   38    HE1  TYR   4           HE2      TYR   4   0.938  -5.947   3.331
   39    HE2  TYR   4           HE1      TYR   4   1.459 -10.068   4.463
   40    HH   TYR   4           HH       TYR   4  -0.061  -8.639   5.455
   41    QB   TYR   4           QB       TYR   4   3.563  -8.727   0.169
   42    QR   TYR   4           QR       TYR   4   2.016  -8.152   2.985
   43    H    CYS   5           HN       CYS   5   6.008  -7.200   3.104
   44    HA   CYS   5           HA       CYS   5   5.087  -4.539   2.758
   45   1HB   CYS   5          2HB       CYS   5   5.719  -5.647   4.915
   46   2HB   CYS   5          3HB       CYS   5   7.420  -5.386   4.505
   47    QB   CYS   5           QB       CYS   5   6.569  -5.517   4.710
   48    H    LYS   6           HN       LYS   6   7.972  -6.091   1.674
   49    HA   LYS   6           HA       LYS   6   9.582  -3.783   1.000
   50   1HB   LYS   6          2HB       LYS   6   9.489  -6.678   0.054
   51   2HB   LYS   6          3HB       LYS   6  10.523  -5.500  -0.740
   52   1HG   LYS   6          2HG       LYS   6  11.752  -6.821   0.822
   53   2HG   LYS   6          3HG       LYS   6  11.819  -5.091   1.215
   54   1HD   LYS   6          2HD       LYS   6  10.543  -5.332   3.154
   55   2HD   LYS   6          3HD       LYS   6   9.706  -6.759   2.554
   56   1HE   LYS   6          2HE       LYS   6  11.181  -7.361   4.406
   57   2HE   LYS   6          3HE       LYS   6  11.571  -8.210   2.906
   58   1HZ   LYS   6          1HZ       LYS   6  13.379  -6.653   2.570
   59   2HZ   LYS   6          2HZ       LYS   6  13.011  -5.878   3.976
   60   3HZ   LYS   6          3HZ       LYS   6  13.538  -7.434   4.008
   61    QB   LYS   6           QB       LYS   6  10.006  -6.089  -0.343
   62    QG   LYS   6           QG       LYS   6  11.785  -5.956   1.018
   63    QD   LYS   6           QD       LYS   6  10.125  -6.045   2.854
   64    QE   LYS   6           QE       LYS   6  11.376  -7.786   3.656
   65    QZ   LYS   6           QZ       LYS   6  13.309  -6.655   3.518
   66    H    LEU   7           HN       LEU   7   6.778  -5.251  -0.646
   67    HA   LEU   7           HA       LEU   7   7.665  -4.705  -3.258
   68   1HB   LEU   7          2HB       LEU   7   4.869  -5.005  -2.123
   69   2HB   LEU   7          3HB       LEU   7   5.235  -4.984  -3.846
   70    HG   LEU   7           HG       LEU   7   6.461  -7.036  -1.975
   71   1HD1  LEU   7          2HD1      LEU   7   3.902  -7.090  -2.070
   72   2HD1  LEU   7          3HD1      LEU   7   4.065  -7.444  -3.797
   73   3HD1  LEU   7          1HD1      LEU   7   4.732  -8.568  -2.603
   74   1HD2  LEU   7          1HD2      LEU   7   6.083  -6.891  -5.006
   75   2HD2  LEU   7          2HD2      LEU   7   7.631  -6.757  -4.145
   76   3HD2  LEU   7          3HD2      LEU   7   6.734  -8.283  -4.120
   77    QB   LEU   7           QB       LEU   7   5.052  -4.994  -2.984
   78    QD1  LEU   7           QD1      LEU   7   4.233  -7.701  -2.824
   79    QD2  LEU   7           QD2      LEU   7   6.816  -7.310  -4.424
   80    QQD  LEU   7           QQD      LEU   7   5.525  -7.506  -3.624
   81    HA   PRO   8           HA       PRO   8   7.388  -0.389  -3.381
   82   1HB   PRO   8          2HB       PRO   8   7.401   0.200  -6.051
   83   2HB   PRO   8          3HB       PRO   8   8.750  -0.669  -5.269
   84   1HG   PRO   8          2HG       PRO   8   6.398  -1.875  -6.760
   85   2HG   PRO   8          3HG       PRO   8   8.138  -2.189  -7.037
   86   1HD   PRO   8          2HD       PRO   8   6.594  -3.807  -5.474
   87   2HD   PRO   8          3HD       PRO   8   8.307  -3.464  -5.051
   88    QB   PRO   8           QB       PRO   8   8.076  -0.235  -5.660
   89    QG   PRO   8           QG       PRO   8   7.268  -2.032  -6.899
   90    QD   PRO   8           QD       PRO   8   7.451  -3.636  -5.263
   91    H    LEU   9           HN       LEU   9   6.199   1.510  -4.525
   92    HA   LEU   9           HA       LEU   9   3.402   1.374  -4.049
   93   1HB   LEU   9          2HB       LEU   9   4.714   3.459  -4.007
   94   2HB   LEU   9          3HB       LEU   9   4.990   3.345  -5.747
   95    HG   LEU   9           HG       LEU   9   2.594   3.695  -6.168
   96   1HD1  LEU   9          1HD1      LEU   9   2.342   3.594  -3.131
   97   2HD1  LEU   9          2HD1      LEU   9   1.146   4.390  -4.124
   98   3HD1  LEU   9          3HD1      LEU   9   1.425   2.660  -4.321
   99   1HD2  LEU   9          1HD2      LEU   9   4.104   5.643  -5.847
  100   2HD2  LEU   9          2HD2      LEU   9   2.445   6.005  -5.337
  101   3HD2  LEU   9          3HD2      LEU   9   3.690   5.672  -4.118
  102    QB   LEU   9           QB       LEU   9   4.852   3.402  -4.877
  103    QD1  LEU   9           QD1      LEU   9   1.637   3.548  -3.858
  104    QD2  LEU   9           QD2      LEU   9   3.413   5.773  -5.101
  105    QQD  LEU   9           QQD      LEU   9   2.525   4.661  -4.479
  106    NH1  ARG  10           NH2      ARG  10   4.000  -1.843 -11.412
  107    NH2  ARG  10           NH1      ARG  10   5.450  -0.717  -9.988
  108    H    ARG  10           HN       ARG  10   1.718   0.993  -5.398
  109    HA   ARG  10           HA       ARG  10   2.157   0.088  -8.146
  110   1HB   ARG  10          2HB       ARG  10   2.957  -1.682  -6.473
  111   2HB   ARG  10          3HB       ARG  10   1.318  -1.779  -5.866
  112   1HG   ARG  10          2HG       ARG  10   1.955  -3.577  -7.499
  113   2HG   ARG  10          3HG       ARG  10   0.522  -2.680  -7.935
  114   1HD   ARG  10          2HD       ARG  10   2.217  -3.254  -9.778
  115   2HD   ARG  10          3HD       ARG  10   1.550  -1.617  -9.748
  116    HE   ARG  10           HE       ARG  10   3.860  -1.409  -8.224
  117   1HH1  ARG  10          2HH2      ARG  10   3.157  -2.382 -11.539
  118   2HH1  ARG  10          1HH2      ARG  10   4.563  -1.628 -12.222
  119   1HH2  ARG  10          2HH1      ARG  10   5.643  -0.334  -9.070
  120   2HH2  ARG  10          1HH1      ARG  10   6.072  -0.487 -10.749
  121    QB   ARG  10           QB       ARG  10   2.138  -1.730  -6.170
  122    QG   ARG  10           QG       ARG  10   1.239  -3.128  -7.717
  123    QD   ARG  10           QD       ARG  10   1.884  -2.436  -9.763
  124    QH1  ARG  10           QH2      ARG  10   3.860  -2.005 -11.881
  125    QH2  ARG  10           QH1      ARG  10   5.858  -0.410  -9.910
  126    H    ILE  11           HN       ILE  11   0.777   1.856  -8.425
  127    HA   ILE  11           HA       ILE  11  -1.772   2.002  -7.135
  128    HB   ILE  11           HB       ILE  11  -0.858   3.379  -9.710
  129   1HG1  ILE  11          2HG1      ILE  11   0.866   3.940  -8.128
  130   2HG1  ILE  11          3HG1      ILE  11  -0.298   5.274  -8.078
  131   1HG2  ILE  11          3HG2      ILE  11  -3.025   3.896  -7.652
  132   2HG2  ILE  11          1HG2      ILE  11  -2.431   5.171  -8.732
  133   3HG2  ILE  11          2HG2      ILE  11  -3.183   3.711  -9.400
  134   1HD1  ILE  11          3HD1      ILE  11  -1.432   4.219  -6.190
  135   2HD1  ILE  11          1HD1      ILE  11  -0.010   3.169  -5.999
  136   3HD1  ILE  11          2HD1      ILE  11   0.150   4.952  -5.914
  137    QG1  ILE  11           QG1      ILE  11   0.284   4.607  -8.103
  138    QG2  ILE  11           QG2      ILE  11  -2.880   4.260  -8.594
  139    QD1  ILE  11           QD1      ILE  11  -0.431   4.113  -6.034
  140    H    GLY  12           HN       GLY  12  -0.661   0.763 -10.250
  141   1HA   GLY  12          1HA       GLY  12  -1.610  -0.907 -11.518
  142   2HA   GLY  12          2HA       GLY  12  -3.112  -0.814 -10.593
  143    QA   GLY  12           QA       GLY  12  -2.361  -0.860 -11.055
  144    HA   PRO  13           HA       PRO  13  -3.116   2.124 -14.390
  145   1HB   PRO  13          2HB       PRO  13  -3.319   0.701 -16.671
  146   2HB   PRO  13          3HB       PRO  13  -1.789   0.728 -15.759
  147   1HG   PRO  13          2HG       PRO  13  -3.971  -1.383 -15.591
  148   2HG   PRO  13          3HG       PRO  13  -2.236  -1.643 -15.941
  149   1HD   PRO  13          2HD       PRO  13  -3.270  -1.851 -13.399
  150   2HD   PRO  13          3HD       PRO  13  -1.626  -1.216 -13.720
  151    QB   PRO  13           QB       PRO  13  -2.554   0.714 -16.215
  152    QG   PRO  13           QG       PRO  13  -3.104  -1.513 -15.766
  153    QD   PRO  13           QD       PRO  13  -2.448  -1.534 -13.559
  154    H    CYS  14           HN       CYS  14  -5.347   1.022 -12.628
  155    HA   CYS  14           HA       CYS  14  -7.479   0.373 -14.538
  156   1HB   CYS  14          2HB       CYS  14  -6.937  -0.340 -11.948
  157   2HB   CYS  14          3HB       CYS  14  -8.297   0.780 -11.744
  158    QB   CYS  14           QB       CYS  14  -7.617   0.220 -11.846
  159    H    LYS  15           HN       LYS  15  -9.701   1.442 -13.961
  160    HA   LYS  15           HA       LYS  15  -9.330   4.392 -14.355
  161   1HB   LYS  15          2HB       LYS  15 -11.529   2.522 -15.308
  162   2HB   LYS  15          3HB       LYS  15 -11.435   4.255 -15.629
  163   1HG   LYS  15          2HG       LYS  15  -9.445   2.158 -16.620
  164   2HG   LYS  15          3HG       LYS  15 -10.755   2.913 -17.535
  165   1HD   LYS  15          2HD       LYS  15  -9.608   5.194 -16.947
  166   2HD   LYS  15          3HD       LYS  15  -8.242   4.217 -16.396
  167   1HE   LYS  15          2HE       LYS  15  -7.794   4.961 -18.642
  168   2HE   LYS  15          3HE       LYS  15  -8.018   3.209 -18.656
  169   1HZ   LYS  15          3HZ       LYS  15 -10.065   5.201 -19.423
  170   2HZ   LYS  15          1HZ       LYS  15  -9.151   4.325 -20.468
  171   3HZ   LYS  15          2HZ       LYS  15 -10.240   3.566 -19.505
  172    QB   LYS  15           QB       LYS  15 -11.482   3.388 -15.469
  173    QG   LYS  15           QG       LYS  15 -10.100   2.535 -17.078
  174    QD   LYS  15           QD       LYS  15  -8.925   4.705 -16.671
  175    QE   LYS  15           QE       LYS  15  -7.906   4.085 -18.649
  176    QZ   LYS  15           QZ       LYS  15  -9.819   4.364 -19.799
  177    NH1  ARG  16           NH2      ARG  16 -13.317   4.191  -6.665
  178    NH2  ARG  16           NH1      ARG  16 -13.084   6.212  -7.710
  179    H    ARG  16           HN       ARG  16  -9.299   3.419 -11.778
  180    HA   ARG  16           HA       ARG  16 -11.653   4.769 -10.641
  181   1HB   ARG  16          2HB       ARG  16 -10.961   1.868 -10.272
  182   2HB   ARG  16          3HB       ARG  16 -11.479   2.735  -8.837
  183   1HG   ARG  16          2HG       ARG  16 -13.215   3.026 -11.274
  184   2HG   ARG  16          3HG       ARG  16 -13.149   1.448 -10.499
  185   1HD   ARG  16          2HD       ARG  16 -14.999   2.794  -9.619
  186   2HD   ARG  16          3HD       ARG  16 -13.852   2.308  -8.382
  187    HE   ARG  16           HE       ARG  16 -13.879   4.990  -9.738
  188   1HH1  ARG  16          2HH2      ARG  16 -13.626   3.232  -6.627
  189   2HH1  ARG  16          1HH2      ARG  16 -12.808   4.593  -5.877
  190   1HH2  ARG  16          2HH1      ARG  16 -13.208   6.844  -8.485
  191   2HH2  ARG  16          1HH1      ARG  16 -12.581   6.526  -6.880
  192    QB   ARG  16           QB       ARG  16 -11.220   2.302  -9.555
  193    QG   ARG  16           QG       ARG  16 -13.182   2.237 -10.887
  194    QD   ARG  16           QD       ARG  16 -14.426   2.551  -9.001
  195    QH1  ARG  16           QH2      ARG  16 -13.217   3.912  -6.252
  196    QH2  ARG  16           QH1      ARG  16 -12.895   6.685  -7.683
  197    H    LYS  17           HN       LYS  17 -11.168   4.798  -8.143
  198    HA   LYS  17           HA       LYS  17  -8.411   5.247  -7.330
  199   1HB   LYS  17          2HB       LYS  17 -10.391   7.553  -7.572
  200   2HB   LYS  17          3HB       LYS  17  -8.976   7.537  -6.514
  201   1HG   LYS  17          2HG       LYS  17  -7.485   7.251  -8.485
  202   2HG   LYS  17          3HG       LYS  17  -8.889   7.250  -9.544
  203   1HD   LYS  17          2HD       LYS  17  -7.817   9.449  -9.574
  204   2HD   LYS  17          3HD       LYS  17  -9.478   9.519  -8.988
  205   1HE   LYS  17          2HE       LYS  17  -8.056  11.009  -7.655
  206   2HE   LYS  17          3HE       LYS  17  -8.720   9.724  -6.661
  207   1HZ   LYS  17          2HZ       LYS  17  -6.540   8.565  -7.056
  208   2HZ   LYS  17          3HZ       LYS  17  -5.938  10.017  -7.578
  209   3HZ   LYS  17          1HZ       LYS  17  -6.561   9.812  -6.050
  210    QB   LYS  17           QB       LYS  17  -9.683   7.545  -7.043
  211    QG   LYS  17           QG       LYS  17  -8.187   7.251  -9.015
  212    QD   LYS  17           QD       LYS  17  -8.648   9.484  -9.281
  213    QE   LYS  17           QE       LYS  17  -8.388  10.367  -7.158
  214    QZ   LYS  17           QZ       LYS  17  -6.346   9.464  -6.895
  215    H    ILE  18           HN       ILE  18  -8.633   3.981  -5.511
  216    HA   ILE  18           HA       ILE  18 -10.840   4.522  -3.605
  217    HB   ILE  18           HB       ILE  18  -9.317   1.917  -4.134
  218   1HG1  ILE  18          2HG1      ILE  18 -11.941   1.274  -4.388
  219   2HG1  ILE  18          3HG1      ILE  18 -12.003   2.975  -4.862
  220   1HG2  ILE  18          2HG2      ILE  18 -11.467   2.574  -2.075
  221   2HG2  ILE  18          3HG2      ILE  18 -10.830   0.952  -2.423
  222   3HG2  ILE  18          1HG2      ILE  18  -9.770   2.173  -1.734
  223   1HD1  ILE  18          2HD1      ILE  18 -10.246   0.841  -6.150
  224   2HD1  ILE  18          3HD1      ILE  18 -11.786   1.433  -6.796
  225   3HD1  ILE  18          1HD1      ILE  18 -10.400   2.524  -6.692
  226    QG1  ILE  18           QG1      ILE  18 -11.972   2.125  -4.625
  227    QG2  ILE  18           QG2      ILE  18 -10.689   1.899  -2.077
  228    QD1  ILE  18           QD1      ILE  18 -10.811   1.600  -6.546
  229    HA   PRO  19           HA       PRO  19  -7.136   5.934  -1.414
  230   1HB   PRO  19          2HB       PRO  19  -8.211   6.440   1.063
  231   2HB   PRO  19          3HB       PRO  19  -8.361   7.524  -0.351
  232   1HG   PRO  19          2HG       PRO  19 -10.359   5.470   0.624
  233   2HG   PRO  19          3HG       PRO  19 -10.670   7.172   0.163
  234   1HD   PRO  19          2HD       PRO  19 -11.127   5.131  -1.541
  235   2HD   PRO  19          3HD       PRO  19 -10.426   6.663  -2.157
  236    QB   PRO  19           QB       PRO  19  -8.286   6.982   0.356
  237    QG   PRO  19           QG       PRO  19 -10.515   6.321   0.394
  238    QD   PRO  19           QD       PRO  19 -10.776   5.897  -1.849
  239    H    SER  20           HN       SER  20  -5.608   4.857  -0.091
  240    HA   SER  20           HA       SER  20  -6.356   2.718   1.725
  241   1HB   SER  20          2HB       SER  20  -4.585   2.074  -0.695
  242   2HB   SER  20          3HB       SER  20  -4.977   0.995   0.647
  243    HG   SER  20           HG       SER  20  -7.120   2.083  -0.763
  244    QB   SER  20           QB       SER  20  -4.781   1.534  -0.024
  245    H    PHE  21           HN       PHE  21  -4.134   1.837   2.612
  246    HA   PHE  21           HA       PHE  21  -2.057   3.949   2.556
  247   1HB   PHE  21          2HB       PHE  21  -2.749   2.040   4.817
  248   2HB   PHE  21          3HB       PHE  21  -1.385   3.154   4.831
  249    HD1  PHE  21          2HD       PHE  21  -5.113   2.961   4.796
  250    HD2  PHE  21          1HD       PHE  21  -1.667   5.470   5.432
  251    HE1  PHE  21          2HE       PHE  21  -6.571   4.717   5.749
  252    HE2  PHE  21          1HE       PHE  21  -3.130   7.239   6.367
  253    HZ   PHE  21           HZ       PHE  21  -5.584   6.871   6.524
  254    QB   PHE  21           QB       PHE  21  -2.067   2.597   4.824
  255    QR   PHE  21           QR       PHE  21  -4.120   5.097   5.586
  256    OH   TYR  22           OH       TYR  22   5.318   4.332  -1.646
  257    H    TYR  22           HN       TYR  22   0.133   3.142   2.291
  258    HA   TYR  22           HA       TYR  22   0.470   0.245   2.161
  259   1HB   TYR  22          2HB       TYR  22   1.360   0.111   0.188
  260   2HB   TYR  22          3HB       TYR  22   0.132   1.254  -0.245
  261    HD1  TYR  22           HD2      TYR  22   1.271   3.876   0.385
  262    HD2  TYR  22           HD1      TYR  22   3.276   0.331  -1.051
  263    HE1  TYR  22           HE2      TYR  22   3.151   5.257  -0.425
  264    HE2  TYR  22           HE1      TYR  22   5.169   1.697  -1.803
  265    HH   TYR  22           HH       TYR  22   5.912   3.788  -2.172
  266    QB   TYR  22           QB       TYR  22   0.746   0.682  -0.028
  267    QR   TYR  22           QR       TYR  22   3.217   2.790  -0.723
  268    OH   TYR  23           OH       TYR  23   8.841   0.129   7.837
  269    H    TYR  23           HN       TYR  23   2.947  -0.133   1.970
  270    HA   TYR  23           HA       TYR  23   4.224   1.709   3.961
  271   1HB   TYR  23          2HB       TYR  23   3.798  -0.691   4.570
  272   2HB   TYR  23          3HB       TYR  23   4.945  -1.159   3.326
  273    HD1  TYR  23           HD1      TYR  23   7.363  -0.633   3.599
  274    HD2  TYR  23           HD2      TYR  23   4.503   0.357   6.616
  275    HE1  TYR  23           HE1      TYR  23   9.172  -0.507   5.297
  276    HE2  TYR  23           HE2      TYR  23   6.330   0.816   8.228
  277    HH   TYR  23           HH       TYR  23   9.658  -0.277   7.544
  278    QB   TYR  23           QB       TYR  23   4.371  -0.925   3.948
  279    QR   TYR  23           QR       TYR  23   6.842   0.008   5.935
  280    H    LYS  24           HN       LYS  24   5.637   3.137   3.011
  281    HA   LYS  24           HA       LYS  24   6.797   2.475   0.363
  282   1HB   LYS  24          2HB       LYS  24   6.043   4.736   0.863
  283   2HB   LYS  24          3HB       LYS  24   7.198   4.861   2.198
  284   1HG   LYS  24          2HG       LYS  24   9.064   4.564   0.590
  285   2HG   LYS  24          3HG       LYS  24   7.938   4.446  -0.755
  286   1HD   LYS  24          2HD       LYS  24   7.785   6.891   1.042
  287   2HD   LYS  24          3HD       LYS  24   9.223   6.697   0.057
  288   1HE   LYS  24          2HE       LYS  24   7.735   8.078  -1.155
  289   2HE   LYS  24          3HE       LYS  24   7.897   6.532  -1.999
  290   1HZ   LYS  24          3HZ       LYS  24   5.617   7.317  -0.287
  291   2HZ   LYS  24          1HZ       LYS  24   5.622   7.295  -1.932
  292   3HZ   LYS  24          2HZ       LYS  24   5.753   5.888  -1.105
  293    QB   LYS  24           QB       LYS  24   6.620   4.799   1.531
  294    QG   LYS  24           QG       LYS  24   8.501   4.505  -0.082
  295    QD   LYS  24           QD       LYS  24   8.504   6.794   0.550
  296    QE   LYS  24           QE       LYS  24   7.816   7.305  -1.577
  297    QZ   LYS  24           QZ       LYS  24   5.664   6.833  -1.108
  298    CH2  TRP  25           CH2      TRP  25  11.682  -4.026   5.805
  299    H    TRP  25           HN       TRP  25   7.962   0.494   1.019
  300    HA   TRP  25           HA       TRP  25   9.658   0.276   3.165
  301   1HB   TRP  25          2HB       TRP  25   8.958  -1.572   1.716
  302   2HB   TRP  25          3HB       TRP  25  10.058  -1.025   0.454
  303    HD1  TRP  25           HD1      TRP  25  12.567  -1.668   0.697
  304    HE1  TRP  25           HE1      TRP  25  14.018  -2.876   2.385
  305    HE3  TRP  25           HE3      TRP  25   9.005  -2.619   4.216
  306    HZ2  TRP  25           HZ2      TRP  25  13.703  -4.040   5.038
  307    HZ3  TRP  25           HZ3      TRP  25   9.592  -3.845   6.295
  308    HH2  TRP  25           HH2      TRP  25  11.930  -4.549   6.718
  309    QB   TRP  25           QB       TRP  25   9.508  -1.299   1.085
  310    H    LYS  26           HN       LYS  26  10.449   1.768   0.068
  311    HA   LYS  26           HA       LYS  26  13.205   2.080   0.255
  312   1HB   LYS  26          2HB       LYS  26  11.695   2.781  -1.621
  313   2HB   LYS  26          3HB       LYS  26  11.198   4.181  -0.659
  314   1HG   LYS  26          2HG       LYS  26  13.602   4.938  -0.590
  315   2HG   LYS  26          3HG       LYS  26  14.038   3.532  -1.577
  316   1HD   LYS  26          2HD       LYS  26  12.519   4.339  -3.379
  317   2HD   LYS  26          3HD       LYS  26  12.150   5.789  -2.442
  318   1HE   LYS  26          2HE       LYS  26  14.970   4.969  -3.329
  319   2HE   LYS  26          3HE       LYS  26  13.924   6.026  -4.278
  320   1HZ   LYS  26          3HZ       LYS  26  14.837   6.635  -1.542
  321   2HZ   LYS  26          1HZ       LYS  26  15.482   7.242  -2.923
  322   3HZ   LYS  26          2HZ       LYS  26  13.938   7.614  -2.516
  323    QB   LYS  26           QB       LYS  26  11.447   3.481  -1.140
  324    QG   LYS  26           QG       LYS  26  13.820   4.235  -1.084
  325    QD   LYS  26           QD       LYS  26  12.334   5.064  -2.910
  326    QE   LYS  26           QE       LYS  26  14.447   5.498  -3.803
  327    QZ   LYS  26           QZ       LYS  26  14.752   7.164  -2.327
  328    H    ALA  27           HN       ALA  27  10.661   3.857   1.973
  329    HA   ALA  27           HA       ALA  27  12.589   5.705   3.288
  330   1HB   ALA  27          3HB       ALA  27   9.539   5.536   3.259
  331   2HB   ALA  27          1HB       ALA  27  10.496   6.776   4.098
  332   3HB   ALA  27          2HB       ALA  27  10.540   6.655   2.327
  333    QB   ALA  27           QB       ALA  27  10.191   6.322   3.228
  334    H    LYS  28           HN       LYS  28   9.981   3.473   4.022
  335    HA   LYS  28           HA       LYS  28   9.683   1.851   5.471
  336   1HB   LYS  28          2HB       LYS  28  11.933   2.879   7.196
  337   2HB   LYS  28          3HB       LYS  28  10.963   1.455   7.510
  338   1HG   LYS  28          2HG       LYS  28  11.597   0.439   5.335
  339   2HG   LYS  28          3HG       LYS  28  12.659   1.789   4.988
  340   1HD   LYS  28          2HD       LYS  28  12.870  -0.190   7.280
  341   2HD   LYS  28          3HD       LYS  28  13.915  -0.074   5.852
  342   1HE   LYS  28          2HE       LYS  28  13.722   1.837   8.225
  343   2HE   LYS  28          3HE       LYS  28  15.129   0.944   7.666
  344   1HZ   LYS  28          3HZ       LYS  28  15.105   2.328   5.663
  345   2HZ   LYS  28          1HZ       LYS  28  13.831   3.203   6.228
  346   3HZ   LYS  28          2HZ       LYS  28  15.273   3.235   7.024
  347    QB   LYS  28           QB       LYS  28  11.448   2.167   7.353
  348    QG   LYS  28           QG       LYS  28  12.128   1.114   5.161
  349    QD   LYS  28           QD       LYS  28  13.393  -0.132   6.566
  350    QE   LYS  28           QE       LYS  28  14.425   1.391   7.946
  351    QZ   LYS  28           QZ       LYS  28  14.736   2.922   6.305
  352    H    GLN  29           HN       GLN  29   7.770   3.181   5.333
  353    HA   GLN  29           HA       GLN  29   6.742   3.868   7.885
  354   1HB   GLN  29          2HB       GLN  29   6.159   6.276   7.068
  355   2HB   GLN  29          3HB       GLN  29   7.772   5.953   7.724
  356   1HG   GLN  29          2HG       GLN  29   8.745   5.841   5.494
  357   2HG   GLN  29          3HG       GLN  29   7.145   5.936   4.734
  358   1HE2  GLN  29          2HE2      GLN  29   8.365   9.408   6.607
  359   2HE2  GLN  29          1HE2      GLN  29   8.427   7.901   7.497
  360    QB   GLN  29           QB       GLN  29   6.966   6.114   7.396
  361    QG   GLN  29           QG       GLN  29   7.945   5.888   5.114
  362    QE2  GLN  29           QE2      GLN  29   8.396   8.654   7.052
  363    H    CYS  30           HN       CYS  30   4.476   4.233   7.806
  364    HA   CYS  30           HA       CYS  30   3.092   2.986   5.490
  365   1HB   CYS  30          2HB       CYS  30   2.302   3.766   8.288
  366   2HB   CYS  30          3HB       CYS  30   1.141   3.115   7.124
  367    QB   CYS  30           QB       CYS  30   1.721   3.441   7.706
  368    H    LEU  31           HN       LEU  31   1.787   4.181   4.167
  369    HA   LEU  31           HA       LEU  31   1.373   7.080   4.738
  370   1HB   LEU  31          2HB       LEU  31   2.542   5.889   2.193
  371   2HB   LEU  31          3HB       LEU  31   2.238   7.596   2.497
  372    HG   LEU  31           HG       LEU  31   4.355   5.870   3.902
  373   1HD1  LEU  31          2HD1      LEU  31   4.750   6.411   1.504
  374   2HD1  LEU  31          3HD1      LEU  31   4.576   8.138   1.862
  375   3HD1  LEU  31          1HD1      LEU  31   5.911   7.215   2.585
  376   1HD2  LEU  31          2HD2      LEU  31   3.486   7.761   5.361
  377   2HD2  LEU  31          3HD2      LEU  31   5.151   7.986   4.842
  378   3HD2  LEU  31          1HD2      LEU  31   3.846   8.891   4.051
  379    QB   LEU  31           QB       LEU  31   2.390   6.743   2.345
  380    QD1  LEU  31           QD1      LEU  31   5.079   7.255   1.984
  381    QD2  LEU  31           QD2      LEU  31   4.161   8.213   4.752
  382    QQD  LEU  31           QQD      LEU  31   4.620   7.734   3.368
  383    HA   PRO  32           HA       PRO  32  -2.515   6.127   2.612
  384   1HB   PRO  32          2HB       PRO  32  -3.489   8.636   2.228
  385   2HB   PRO  32          3HB       PRO  32  -3.415   7.879   3.838
  386   1HG   PRO  32          2HG       PRO  32  -1.424   9.800   2.603
  387   2HG   PRO  32          3HG       PRO  32  -2.167   9.895   4.228
  388   1HD   PRO  32          2HD       PRO  32   0.307   8.835   3.802
  389   2HD   PRO  32          3HD       PRO  32  -0.788   8.151   5.042
  390    QB   PRO  32           QB       PRO  32  -3.452   8.257   3.033
  391    QG   PRO  32           QG       PRO  32  -1.796   9.848   3.415
  392    QD   PRO  32           QD       PRO  32  -0.240   8.493   4.422
  393    H    PHE  33           HN       PHE  33  -3.324   6.208   0.418
  394    HA   PHE  33           HA       PHE  33  -2.463   8.095  -1.518
  395   1HB   PHE  33          2HB       PHE  33  -1.148   6.797  -2.971
  396   2HB   PHE  33          3HB       PHE  33  -0.400   6.554  -1.423
  397    HD1  PHE  33          2HD       PHE  33  -1.426   4.386  -0.044
  398    HD2  PHE  33          1HD       PHE  33  -1.737   5.021  -4.266
  399    HE1  PHE  33          2HE       PHE  33  -1.992   1.998  -0.379
  400    HE2  PHE  33          1HE       PHE  33  -2.078   2.577  -4.630
  401    HZ   PHE  33           HZ       PHE  33  -2.115   1.053  -2.627
  402    QB   PHE  33           QB       PHE  33  -0.774   6.675  -2.197
  403    QR   PHE  33           QR       PHE  33  -1.808   3.495  -2.330
  404    H    ASP  34           HN       ASP  34  -3.362   7.093  -3.836
  405    HA   ASP  34           HA       ASP  34  -5.966   5.723  -3.275
  406   1HB   ASP  34          2HB       ASP  34  -5.052   7.679  -5.422
  407   2HB   ASP  34          3HB       ASP  34  -6.326   6.508  -5.736
  408    QB   ASP  34           QB       ASP  34  -5.689   7.094  -5.579
  409    OH   TYR  35           OH       TYR  35  -5.576  -3.448  -7.695
  410    H    TYR  35           HN       TYR  35  -6.085   3.711  -3.913
  411    HA   TYR  35           HA       TYR  35  -4.169   2.539  -5.851
  412   1HB   TYR  35          2HB       TYR  35  -4.700   1.314  -3.842
  413   2HB   TYR  35          3HB       TYR  35  -6.431   1.470  -4.119
  414    HD1  TYR  35           HD1      TYR  35  -3.516   0.316  -6.201
  415    HD2  TYR  35           HD2      TYR  35  -7.465  -0.529  -4.772
  416    HE1  TYR  35           HE1      TYR  35  -3.667  -1.600  -7.757
  417    HE2  TYR  35           HE2      TYR  35  -7.376  -2.735  -5.908
  418    HH   TYR  35           HH       TYR  35  -6.482  -3.788  -7.726
  419    QB   TYR  35           QB       TYR  35  -5.565   1.392  -3.980
  420    QR   TYR  35           QR       TYR  35  -5.506  -1.137  -6.159
  421    H    SER  36           HN       SER  36  -4.969   1.669  -7.904
  422    HA   SER  36           HA       SER  36  -7.113   3.319  -8.922
  423   1HB   SER  36          2HB       SER  36  -6.678   2.340 -11.055
  424   2HB   SER  36          3HB       SER  36  -5.161   2.802 -10.300
  425    HG   SER  36           HG       SER  36  -4.674   0.715  -9.923
  426    QB   SER  36           QB       SER  36  -5.920   2.571 -10.678
  427    H    GLY  37           HN       GLY  37  -6.689  -0.221  -8.898
  428   1HA   GLY  37          1HA       GLY  37  -8.958  -1.038  -7.498
  429   2HA   GLY  37          2HA       GLY  37  -9.544  -0.764  -9.150
  430    QA   GLY  37           QA       GLY  37  -9.251  -0.901  -8.324
  431    H    CYS  38           HN       CYS  38  -7.313  -1.503 -10.603
  432    HA   CYS  38           HA       CYS  38  -6.987  -4.411 -10.075
  433   1HB   CYS  38          2HB       CYS  38  -7.010  -4.819 -12.449
  434   2HB   CYS  38          3HB       CYS  38  -8.555  -4.250 -11.850
  435    QB   CYS  38           QB       CYS  38  -7.783  -4.534 -12.150
  436    H    GLY  39           HN       GLY  39  -5.049  -5.258 -10.549
  437   1HA   GLY  39          1HA       GLY  39  -2.843  -5.405 -11.198
  438   2HA   GLY  39          2HA       GLY  39  -2.875  -3.738 -11.775
  439    QA   GLY  39           QA       GLY  39  -2.859  -4.571 -11.487
  440    H    GLY  40           HN       GLY  40  -3.919  -4.269  -8.436
  441   1HA   GLY  40          1HA       GLY  40  -1.536  -2.977  -7.371
  442   2HA   GLY  40          2HA       GLY  40  -2.907  -3.564  -6.467
  443    QA   GLY  40           QA       GLY  40  -2.221  -3.270  -6.919
  444    H    ASN  41           HN       ASN  41  -0.060  -3.904  -5.945
  445    HA   ASN  41           HA       ASN  41   0.279  -6.851  -5.863
  446   1HB   ASN  41          2HB       ASN  41   2.449  -6.344  -4.850
  447   2HB   ASN  41          3HB       ASN  41   2.246  -5.520  -6.379
  448   1HD2  ASN  41          2HD2      ASN  41   3.635  -2.750  -4.585
  449   2HD2  ASN  41          1HD2      ASN  41   4.069  -4.170  -5.510
  450    QB   ASN  41           QB       ASN  41   2.348  -5.932  -5.614
  451    QD2  ASN  41           QD2      ASN  41   3.852  -3.460  -5.047
  452    H    ALA  42           HN       ALA  42   1.349  -7.280  -3.400
  453    HA   ALA  42           HA       ALA  42  -0.973  -7.187  -1.657
  454   1HB   ALA  42          1HB       ALA  42   1.848  -8.291  -1.415
  455   2HB   ALA  42          2HB       ALA  42   0.645  -8.439  -0.118
  456   3HB   ALA  42          3HB       ALA  42   0.363  -9.194  -1.696
  457    QB   ALA  42           QB       ALA  42   0.952  -8.641  -1.076
  458    H    ASN  43           HN       ASN  43   1.483  -4.802  -2.108
  459    HA   ASN  43           HA       ASN  43   1.574  -4.107   0.750
  460   1HB   ASN  43          2HB       ASN  43   3.455  -3.713  -1.005
  461   2HB   ASN  43          3HB       ASN  43   2.531  -2.284  -1.471
  462   1HD2  ASN  43          2HD2      ASN  43   4.993  -1.188   1.060
  463   2HD2  ASN  43          1HD2      ASN  43   5.101  -2.069  -0.435
  464    QB   ASN  43           QB       ASN  43   2.993  -2.998  -1.238
  465    QD2  ASN  43           QD2      ASN  43   5.047  -1.629   0.312
  466    NH1  ARG  44           NH2      ARG  44  -1.939  -0.694  -4.393
  467    NH2  ARG  44           NH1      ARG  44  -1.080  -2.811  -4.095
  468    H    ARG  44           HN       ARG  44  -0.853  -4.115   0.861
  469    HA   ARG  44           HA       ARG  44  -1.800  -1.330   0.540
  470   1HB   ARG  44          2HB       ARG  44  -2.244  -3.058  -1.473
  471   2HB   ARG  44          3HB       ARG  44  -3.696  -3.393  -0.529
  472   1HG   ARG  44          2HG       ARG  44  -4.359  -1.041  -0.601
  473   2HG   ARG  44          3HG       ARG  44  -2.813  -0.590  -1.327
  474   1HD   ARG  44          2HD       ARG  44  -5.120  -2.077  -2.640
  475   2HD   ARG  44          3HD       ARG  44  -4.343  -0.604  -3.106
  476    HE   ARG  44           HE       ARG  44  -3.414  -3.384  -3.466
  477   1HH1  ARG  44          2HH2      ARG  44  -2.720  -0.067  -4.293
  478   2HH1  ARG  44          1HH2      ARG  44  -1.218  -0.463  -5.075
  479   1HH2  ARG  44          2HH1      ARG  44  -1.231  -3.773  -3.799
  480   2HH2  ARG  44          1HH1      ARG  44  -0.107  -2.519  -4.123
  481    QB   ARG  44           QB       ARG  44  -2.970  -3.226  -1.001
  482    QG   ARG  44           QG       ARG  44  -3.586  -0.816  -0.964
  483    QD   ARG  44           QD       ARG  44  -4.731  -1.341  -2.873
  484    QH1  ARG  44           QH2      ARG  44  -1.969  -0.265  -4.684
  485    QH2  ARG  44           QH1      ARG  44  -0.669  -3.146  -3.961
  486    H    PHE  45           HN       PHE  45  -2.998  -0.729   2.190
  487    HA   PHE  45           HA       PHE  45  -4.243  -2.663   4.125
  488   1HB   PHE  45          2HB       PHE  45  -2.396  -0.328   4.639
  489   2HB   PHE  45          3HB       PHE  45  -3.190  -1.312   5.846
  490    HD1  PHE  45          2HD       PHE  45  -2.683  -3.956   5.679
  491    HD2  PHE  45          1HD       PHE  45  -0.214  -0.924   3.894
  492    HE1  PHE  45          2HE       PHE  45  -0.686  -5.382   6.026
  493    HE2  PHE  45          1HE       PHE  45   1.773  -2.395   4.128
  494    HZ   PHE  45           HZ       PHE  45   1.554  -4.592   5.276
  495    QB   PHE  45           QB       PHE  45  -2.793  -0.820   5.242
  496    QR   PHE  45           QR       PHE  45  -0.452  -3.164   4.932
  497    H    LYS  46           HN       LYS  46  -6.076  -1.942   5.060
  498    HA   LYS  46           HA       LYS  46  -7.408   0.346   3.732
  499   1HB   LYS  46          2HB       LYS  46  -8.280  -1.603   5.906
  500   2HB   LYS  46          3HB       LYS  46  -9.221  -0.181   5.420
  501   1HG   LYS  46          2HG       LYS  46  -9.151  -0.957   3.062
  502   2HG   LYS  46          3HG       LYS  46  -8.381  -2.467   3.594
  503   1HD   LYS  46          2HD       LYS  46 -10.282  -3.066   4.959
  504   2HD   LYS  46          3HD       LYS  46 -11.040  -1.487   4.758
  505   1HE   LYS  46          2HE       LYS  46 -10.602  -3.538   2.527
  506   2HE   LYS  46          3HE       LYS  46 -12.124  -3.250   3.380
  507   1HZ   LYS  46          1HZ       LYS  46 -12.080  -0.979   2.541
  508   2HZ   LYS  46          2HZ       LYS  46 -10.717  -1.297   1.679
  509   3HZ   LYS  46          3HZ       LYS  46 -12.113  -2.083   1.323
  510    QB   LYS  46           QB       LYS  46  -8.751  -0.892   5.663
  511    QG   LYS  46           QG       LYS  46  -8.766  -1.712   3.328
  512    QD   LYS  46           QD       LYS  46 -10.661  -2.276   4.858
  513    QE   LYS  46           QE       LYS  46 -11.363  -3.394   2.953
  514    QZ   LYS  46           QZ       LYS  46 -11.637  -1.453   1.848
  515    H    THR  47           HN       THR  47  -5.529  -0.268   6.621
  516    HA   THR  47           HA       THR  47  -6.017   2.583   7.446
  517    HB   THR  47           HB       THR  47  -6.004   1.984   9.746
  518    HG1  THR  47          1HG       THR  47  -5.926  -0.723   8.951
  519   1HG2  THR  47          1HG2      THR  47  -8.204   1.903   8.596
  520   2HG2  THR  47          2HG2      THR  47  -7.981   0.162   8.315
  521   3HG2  THR  47          3HG2      THR  47  -8.096   0.781   9.970
  522    QG2  THR  47           QG2      THR  47  -8.094   0.949   8.961
  523    H    ILE  48           HN       ILE  48  -4.412   3.548   8.660
  524    HA   ILE  48           HA       ILE  48  -1.708   2.813   7.897
  525    HB   ILE  48           HB       ILE  48  -2.880   5.167   8.374
  526   1HG1  ILE  48          2HG1      ILE  48  -0.548   4.682   7.526
  527   2HG1  ILE  48          3HG1      ILE  48  -0.971   6.261   8.195
  528   1HG2  ILE  48          3HG2      ILE  48  -3.451   4.750  10.698
  529   2HG2  ILE  48          1HG2      ILE  48  -1.737   4.603  11.122
  530   3HG2  ILE  48          2HG2      ILE  48  -2.371   6.145  10.517
  531   1HD1  ILE  48          2HD1      ILE  48   0.458   4.088   9.718
  532   2HD1  ILE  48          3HD1      ILE  48   1.187   5.543   8.961
  533   3HD1  ILE  48          1HD1      ILE  48   0.062   5.729  10.314
  534    QG1  ILE  48           QG1      ILE  48  -0.760   5.472   7.860
  535    QG2  ILE  48           QG2      ILE  48  -2.520   5.166  10.779
  536    QD1  ILE  48           QD1      ILE  48   0.569   5.120   9.664
  537    H    GLU  49           HN       GLU  49  -3.806   2.346  10.728
  538    HA   GLU  49           HA       GLU  49  -1.569   1.580  12.392
  539   1HB   GLU  49          2HB       GLU  49  -3.211   0.848  13.997
  540   2HB   GLU  49          3HB       GLU  49  -3.546   2.488  13.459
  541   1HG   GLU  49          2HG       GLU  49  -5.545   1.900  12.419
  542   2HG   GLU  49          3HG       GLU  49  -5.004   0.255  12.046
  543    QB   GLU  49           QB       GLU  49  -3.378   1.668  13.728
  544    QG   GLU  49           QG       GLU  49  -5.274   1.078  12.232
  545    H    GLU  50           HN       GLU  50  -3.897  -0.260  10.296
  546    HA   GLU  50           HA       GLU  50  -2.898  -2.779  11.252
  547   1HB   GLU  50          2HB       GLU  50  -4.098  -3.835   9.543
  548   2HB   GLU  50          3HB       GLU  50  -5.066  -2.433   9.998
  549   1HG   GLU  50          2HG       GLU  50  -3.879  -1.258   8.018
  550   2HG   GLU  50          3HG       GLU  50  -3.346  -2.885   7.542
  551    QB   GLU  50           QB       GLU  50  -4.582  -3.134   9.770
  552    QG   GLU  50           QG       GLU  50  -3.613  -2.071   7.780
  553    H    CYS  51           HN       CYS  51  -1.993  -0.668   8.481
  554    HA   CYS  51           HA       CYS  51   0.151  -2.182   7.500
  555   1HB   CYS  51          2HB       CYS  51  -0.609  -0.176   6.334
  556   2HB   CYS  51          3HB       CYS  51  -0.136   0.852   7.675
  557    QB   CYS  51           QB       CYS  51  -0.372   0.338   7.004
  558    NH1  ARG  52           NH2      ARG  52   2.854   5.747  13.866
  559    NH2  ARG  52           NH1      ARG  52   2.811   6.220  11.598
  560    H    ARG  52           HN       ARG  52   0.337   0.443   9.992
  561    HA   ARG  52           HA       ARG  52   3.076   0.028  10.502
  562   1HB   ARG  52          2HB       ARG  52   1.620   1.953  11.174
  563   2HB   ARG  52          3HB       ARG  52   1.007   0.982  12.520
  564   1HG   ARG  52          2HG       ARG  52   3.251   0.816  13.478
  565   2HG   ARG  52          3HG       ARG  52   3.977   1.578  12.056
  566   1HD   ARG  52          2HD       ARG  52   1.995   2.932  13.934
  567   2HD   ARG  52          3HD       ARG  52   3.765   3.104  13.995
  568    HE   ARG  52           HE       ARG  52   2.799   3.712  11.362
  569   1HH1  ARG  52          2HH2      ARG  52   2.861   5.064  14.609
  570   2HH1  ARG  52          1HH2      ARG  52   2.852   6.726  14.108
  571   1HH2  ARG  52          2HH1      ARG  52   2.789   5.919  10.634
  572   2HH2  ARG  52          1HH1      ARG  52   2.810   7.212  11.782
  573    QB   ARG  52           QB       ARG  52   1.314   1.468  11.847
  574    QG   ARG  52           QG       ARG  52   3.614   1.197  12.767
  575    QD   ARG  52           QD       ARG  52   2.880   3.018  13.964
  576    QH1  ARG  52           QH2      ARG  52   2.857   5.895  14.358
  577    QH2  ARG  52           QH1      ARG  52   2.799   6.565  11.208
  578    NH1  ARG  53           NH2      ARG  53  -2.738  -3.389  17.214
  579    NH2  ARG  53           NH1      ARG  53  -4.206  -2.297  15.831
  580    H    ARG  53           HN       ARG  53   0.264  -1.544  12.025
  581    HA   ARG  53           HA       ARG  53   1.778  -2.915  14.041
  582   1HB   ARG  53          2HB       ARG  53  -0.726  -2.431  13.982
  583   2HB   ARG  53          3HB       ARG  53  -0.869  -3.771  12.829
  584   1HG   ARG  53          2HG       ARG  53   0.389  -5.153  14.722
  585   2HG   ARG  53          3HG       ARG  53  -0.061  -3.788  15.756
  586   1HD   ARG  53          2HD       ARG  53  -1.878  -5.649  14.178
  587   2HD   ARG  53          3HD       ARG  53  -1.769  -5.551  15.919
  588    HE   ARG  53           HE       ARG  53  -3.188  -3.757  14.041
  589   1HH1  ARG  53          2HH2      ARG  53  -1.996  -4.056  17.351
  590   2HH1  ARG  53          1HH2      ARG  53  -3.079  -2.858  18.001
  591   1HH2  ARG  53          2HH1      ARG  53  -4.543  -1.964  14.915
  592   2HH2  ARG  53          1HH1      ARG  53  -4.596  -1.781  16.602
  593    QB   ARG  53           QB       ARG  53  -0.797  -3.101  13.405
  594    QG   ARG  53           QG       ARG  53   0.164  -4.471  15.239
  595    QD   ARG  53           QD       ARG  53  -1.823  -5.600  15.049
  596    QH1  ARG  53           QH2      ARG  53  -2.537  -3.457  17.676
  597    QH2  ARG  53           QH1      ARG  53  -4.570  -1.872  15.758
  598    H    THR  54           HN       THR  54   0.784  -3.794  10.726
  599    HA   THR  54           HA       THR  54   1.622  -6.562  10.969
  600    HB   THR  54           HB       THR  54   1.115  -4.861   8.486
  601    HG1  THR  54          1HG       THR  54  -0.723  -4.927   9.702
  602   1HG2  THR  54          2HG2      THR  54   1.139  -7.878   8.916
  603   2HG2  THR  54          3HG2      THR  54   0.615  -7.042   7.436
  604   3HG2  THR  54          1HG2      THR  54   2.307  -6.960   7.940
  605    QG2  THR  54           QG2      THR  54   1.354  -7.293   8.098
  606    H    CYS  55           HN       CYS  55   3.020  -3.576   9.493
  607    HA   CYS  55           HA       CYS  55   5.278  -5.146   8.613
  608   1HB   CYS  55          2HB       CYS  55   4.341  -3.564   7.152
  609   2HB   CYS  55          3HB       CYS  55   4.946  -2.227   8.142
  610    QB   CYS  55           QB       CYS  55   4.643  -2.896   7.647
  611    H    VAL  56           HN       VAL  56   4.815  -2.374  10.804
  612    HA   VAL  56           HA       VAL  56   7.618  -2.456  11.729
  613    HB   VAL  56           HB       VAL  56   5.353  -0.540  12.477
  614   1HG1  VAL  56          2HG1      VAL  56   8.374  -0.414  12.818
  615   2HG1  VAL  56          3HG1      VAL  56   7.359   1.036  12.803
  616   3HG1  VAL  56          1HG1      VAL  56   7.102  -0.164  14.044
  617   1HG2  VAL  56          2HG2      VAL  56   7.390  -0.349  10.236
  618   2HG2  VAL  56          3HG2      VAL  56   5.618  -0.430  10.070
  619   3HG2  VAL  56          1HG2      VAL  56   6.359   0.988  10.792
  620    QG1  VAL  56           QG1      VAL  56   7.612   0.153  13.222
  621    QG2  VAL  56           QG2      VAL  56   6.456   0.070  10.366
  622    QQG  VAL  56           QQG      VAL  56   7.034   0.111  11.794
  623    H    GLY  57           HN       GLY  57   7.529  -1.985  14.435
  624   1HA   GLY  57          1HA       GLY  57   5.426  -3.364  15.785
  625   2HA   GLY  57          2HA       GLY  57   7.018  -4.167  15.907
  626    QA   GLY  57           QA       GLY  57   6.222  -3.766  15.846
   
  Start of MODEL          19
 Raw file had  626 H/Q atoms
  Start of MODEL   19
    1    H    ALA   1           HN       ALA   1   8.164  -7.236  10.864
    2    HA   ALA   1           HA       ALA   1   7.115  -6.481   8.974
    3   1HB   ALA   1          3HB       ALA   1   9.992  -7.141   8.224
    4   2HB   ALA   1          1HB       ALA   1   8.917  -6.273   7.118
    5   3HB   ALA   1          2HB       ALA   1   9.304  -5.569   8.695
    6    QB   ALA   1           QB       ALA   1   9.405  -6.328   8.013
    7    H    ALA   2           HN       ALA   2   6.779  -6.846   6.486
    8    HA   ALA   2           HA       ALA   2   6.002  -9.713   6.132
    9   1HB   ALA   2          2HB       ALA   2   4.383  -7.440   6.159
   10   2HB   ALA   2          3HB       ALA   2   4.647  -7.736   4.439
   11   3HB   ALA   2          1HB       ALA   2   3.982  -9.019   5.463
   12    QB   ALA   2           QB       ALA   2   4.337  -8.065   5.353
   13    H    LYS   3           HN       LYS   3   6.101 -10.511   3.858
   14    HA   LYS   3           HA       LYS   3   8.618  -9.730   2.634
   15   1HB   LYS   3          2HB       LYS   3   6.590 -11.836   2.185
   16   2HB   LYS   3          3HB       LYS   3   7.176 -11.141   0.691
   17   1HG   LYS   3          2HG       LYS   3   8.574 -12.902   0.976
   18   2HG   LYS   3          3HG       LYS   3   9.588 -11.564   1.503
   19   1HD   LYS   3          2HD       LYS   3   7.890 -12.998   3.576
   20   2HD   LYS   3          3HD       LYS   3   9.195 -13.928   2.864
   21   1HE   LYS   3          2HE       LYS   3  10.883 -12.671   3.800
   22   2HE   LYS   3          3HE       LYS   3   9.892 -11.212   3.974
   23   1HZ   LYS   3          3HZ       LYS   3   9.535 -13.648   5.596
   24   2HZ   LYS   3          1HZ       LYS   3  10.361 -12.316   6.076
   25   3HZ   LYS   3          2HZ       LYS   3   8.751 -12.214   5.785
   26    QB   LYS   3           QB       LYS   3   6.883 -11.488   1.438
   27    QG   LYS   3           QG       LYS   3   9.081 -12.233   1.240
   28    QD   LYS   3           QD       LYS   3   8.542 -13.463   3.220
   29    QE   LYS   3           QE       LYS   3  10.387 -11.942   3.887
   30    QZ   LYS   3           QZ       LYS   3   9.549 -12.726   5.819
   31    OH   TYR   4           OH       TYR   4   0.941  -8.556   5.305
   32    H    TYR   4           HN       TYR   4   5.213  -9.511   1.652
   33    HA   TYR   4           HA       TYR   4   5.575  -7.875  -0.584
   34   1HB   TYR   4          2HB       TYR   4   3.150  -7.313  -0.243
   35   2HB   TYR   4          3HB       TYR   4   3.540  -9.040  -0.218
   36    HD1  TYR   4           HD2      TYR   4   2.947  -6.087   2.072
   37    HD2  TYR   4           HD1      TYR   4   2.729 -10.371   1.553
   38    HE1  TYR   4           HE2      TYR   4   1.943  -6.304   4.273
   39    HE2  TYR   4           HE1      TYR   4   1.571 -10.559   3.736
   40    HH   TYR   4           HH       TYR   4   0.602  -7.720   5.635
   41    QB   TYR   4           QB       TYR   4   3.345  -8.177  -0.230
   42    QR   TYR   4           QR       TYR   4   2.297  -8.330   2.908
   43    H    CYS   5           HN       CYS   5   5.909  -7.060   2.733
   44    HA   CYS   5           HA       CYS   5   5.118  -4.335   2.657
   45   1HB   CYS   5          2HB       CYS   5   5.985  -5.914   4.673
   46   2HB   CYS   5          3HB       CYS   5   7.505  -5.077   4.303
   47    QB   CYS   5           QB       CYS   5   6.745  -5.496   4.488
   48    H    LYS   6           HN       LYS   6   7.890  -6.031   1.333
   49    HA   LYS   6           HA       LYS   6   9.492  -3.667   0.782
   50   1HB   LYS   6          2HB       LYS   6   9.692  -6.597   0.169
   51   2HB   LYS   6          3HB       LYS   6  10.638  -5.452  -0.784
   52   1HG   LYS   6          2HG       LYS   6  11.682  -4.511   1.066
   53   2HG   LYS   6          3HG       LYS   6  10.587  -5.285   2.232
   54   1HD   LYS   6          2HD       LYS   6  12.034  -7.183   0.524
   55   2HD   LYS   6          3HD       LYS   6  13.130  -6.126   1.434
   56   1HE   LYS   6          2HE       LYS   6  12.618  -6.997   3.467
   57   2HE   LYS   6          3HE       LYS   6  10.912  -7.279   3.081
   58   1HZ   LYS   6          1HZ       LYS   6  13.112  -8.944   2.074
   59   2HZ   LYS   6          2HZ       LYS   6  12.166  -9.298   3.372
   60   3HZ   LYS   6          3HZ       LYS   6  11.494  -9.187   1.870
   61    QB   LYS   6           QB       LYS   6  10.165  -6.024  -0.307
   62    QG   LYS   6           QG       LYS   6  11.135  -4.898   1.649
   63    QD   LYS   6           QD       LYS   6  12.582  -6.655   0.979
   64    QE   LYS   6           QE       LYS   6  11.765  -7.138   3.274
   65    QZ   LYS   6           QZ       LYS   6  12.257  -9.143   2.439
   66    H    LEU   7           HN       LEU   7   6.520  -4.566  -0.564
   67    HA   LEU   7           HA       LEU   7   7.276  -4.101  -3.286
   68   1HB   LEU   7          2HB       LEU   7   4.586  -4.230  -1.937
   69   2HB   LEU   7          3HB       LEU   7   4.827  -4.081  -3.671
   70    HG   LEU   7           HG       LEU   7   6.066  -6.330  -2.064
   71   1HD1  LEU   7          3HD1      LEU   7   3.372  -6.133  -2.285
   72   2HD1  LEU   7          1HD1      LEU   7   3.782  -6.944  -3.817
   73   3HD1  LEU   7          2HD1      LEU   7   4.253  -7.685  -2.323
   74   1HD2  LEU   7          1HD2      LEU   7   6.335  -5.486  -4.807
   75   2HD2  LEU   7          2HD2      LEU   7   7.098  -6.856  -3.952
   76   3HD2  LEU   7          3HD2      LEU   7   5.575  -7.069  -4.803
   77    QB   LEU   7           QB       LEU   7   4.706  -4.155  -2.804
   78    QD1  LEU   7           QD1      LEU   7   3.803  -6.920  -2.808
   79    QD2  LEU   7           QD2      LEU   7   6.336  -6.471  -4.521
   80    QQD  LEU   7           QQD      LEU   7   5.069  -6.696  -3.664
   81    HA   PRO   8           HA       PRO   8   7.055   0.368  -2.816
   82   1HB   PRO   8          2HB       PRO   8   7.341   1.090  -5.479
   83   2HB   PRO   8          3HB       PRO   8   8.663   0.505  -4.437
   84   1HG   PRO   8          2HG       PRO   8   7.125  -1.002  -6.538
   85   2HG   PRO   8          3HG       PRO   8   8.852  -1.120  -6.101
   86   1HD   PRO   8          2HD       PRO   8   6.792  -2.874  -5.214
   87   2HD   PRO   8          3HD       PRO   8   8.421  -2.663  -4.465
   88    QB   PRO   8           QB       PRO   8   8.002   0.798  -4.958
   89    QG   PRO   8           QG       PRO   8   7.989  -1.061  -6.319
   90    QD   PRO   8           QD       PRO   8   7.607  -2.768  -4.840
   91    H    LEU   9           HN       LEU   9   5.861   2.219  -4.165
   92    HA   LEU   9           HA       LEU   9   3.106   1.927  -3.697
   93   1HB   LEU   9          2HB       LEU   9   4.303   4.083  -3.737
   94   2HB   LEU   9          3HB       LEU   9   4.605   3.916  -5.451
   95    HG   LEU   9           HG       LEU   9   2.384   4.259  -6.036
   96   1HD1  LEU   9          3HD1      LEU   9   1.552   3.869  -3.123
   97   2HD1  LEU   9          1HD1      LEU   9   0.494   4.497  -4.379
   98   3HD1  LEU   9          2HD1      LEU   9   1.097   2.843  -4.483
   99   1HD2  LEU   9          1HD2      LEU   9   3.776   6.194  -4.817
  100   2HD2  LEU   9          2HD2      LEU   9   2.130   6.477  -5.383
  101   3HD2  LEU   9          3HD2      LEU   9   2.422   6.124  -3.673
  102    QB   LEU   9           QB       LEU   9   4.454   3.999  -4.594
  103    QD1  LEU   9           QD1      LEU   9   1.048   3.736  -3.995
  104    QD2  LEU   9           QD2      LEU   9   2.776   6.265  -4.625
  105    QQD  LEU   9           QQD      LEU   9   1.912   5.001  -4.310
  106    NH1  ARG  10           NH2      ARG  10   3.352  -0.344 -11.078
  107    NH2  ARG  10           NH1      ARG  10   1.720   1.286 -10.986
  108    H    ARG  10           HN       ARG  10   1.905   0.487  -4.764
  109    HA   ARG  10           HA       ARG  10   2.027   0.440  -7.746
  110   1HB   ARG  10          2HB       ARG  10   2.854  -1.629  -6.579
  111   2HB   ARG  10          3HB       ARG  10   1.287  -1.754  -5.801
  112   1HG   ARG  10          2HG       ARG  10   1.401  -3.307  -7.620
  113   2HG   ARG  10          3HG       ARG  10   0.182  -2.078  -7.911
  114   1HD   ARG  10          2HD       ARG  10   2.978  -1.994  -9.073
  115   2HD   ARG  10          3HD       ARG  10   1.620  -2.798  -9.892
  116    HE   ARG  10           HE       ARG  10   0.467  -0.476  -9.626
  117   1HH1  ARG  10          2HH2      ARG  10   3.664  -1.278 -10.857
  118   2HH1  ARG  10          1HH2      ARG  10   3.938   0.235 -11.658
  119   1HH2  ARG  10          2HH1      ARG  10   0.845   1.653 -10.654
  120   2HH2  ARG  10          1HH1      ARG  10   2.275   1.883 -11.583
  121    QB   ARG  10           QB       ARG  10   2.070  -1.691  -6.190
  122    QG   ARG  10           QG       ARG  10   0.792  -2.693  -7.766
  123    QD   ARG  10           QD       ARG  10   2.299  -2.396  -9.483
  124    QH1  ARG  10           QH2      ARG  10   3.801  -0.521 -11.258
  125    QH2  ARG  10           QH1      ARG  10   1.560   1.768 -11.119
  126    H    ILE  11           HN       ILE  11   0.443   2.237  -7.761
  127    HA   ILE  11           HA       ILE  11  -2.159   1.965  -6.608
  128    HB   ILE  11           HB       ILE  11  -1.105   3.581  -8.959
  129   1HG1  ILE  11          2HG1      ILE  11  -1.882   5.130  -6.664
  130   2HG1  ILE  11          3HG1      ILE  11  -0.901   3.798  -6.066
  131   1HG2  ILE  11          2HG2      ILE  11  -3.830   3.621  -7.634
  132   2HG2  ILE  11          3HG2      ILE  11  -3.187   4.984  -8.575
  133   3HG2  ILE  11          1HG2      ILE  11  -3.459   3.422  -9.352
  134   1HD1  ILE  11          2HD1      ILE  11  -0.147   5.730  -8.292
  135   2HD1  ILE  11          3HD1      ILE  11   0.452   5.748  -6.626
  136   3HD1  ILE  11          1HD1      ILE  11   0.864   4.386  -7.703
  137    QG1  ILE  11           QG1      ILE  11  -1.392   4.464  -6.365
  138    QG2  ILE  11           QG2      ILE  11  -3.492   4.009  -8.520
  139    QD1  ILE  11           QD1      ILE  11   0.390   5.288  -7.540
  140    H    GLY  12           HN       GLY  12  -0.947   1.378  -9.884
  141   1HA   GLY  12          1HA       GLY  12  -1.623  -0.885 -10.784
  142   2HA   GLY  12          2HA       GLY  12  -3.286  -0.366 -10.476
  143    QA   GLY  12           QA       GLY  12  -2.455  -0.625 -10.630
  144    HA   PRO  13           HA       PRO  13  -2.052   1.448 -14.620
  145   1HB   PRO  13          2HB       PRO  13  -2.600  -0.550 -16.417
  146   2HB   PRO  13          3HB       PRO  13  -1.012  -0.310 -15.647
  147   1HG   PRO  13          2HG       PRO  13  -3.082  -2.384 -15.018
  148   2HG   PRO  13          3HG       PRO  13  -1.303  -2.484 -14.915
  149   1HD   PRO  13          2HD       PRO  13  -3.121  -1.968 -12.788
  150   2HD   PRO  13          3HD       PRO  13  -1.340  -1.798 -12.745
  151    QB   PRO  13           QB       PRO  13  -1.806  -0.430 -16.032
  152    QG   PRO  13           QG       PRO  13  -2.192  -2.434 -14.967
  153    QD   PRO  13           QD       PRO  13  -2.230  -1.883 -12.767
  154    H    CYS  14           HN       CYS  14  -4.712   0.100 -12.977
  155    HA   CYS  14           HA       CYS  14  -6.773   0.733 -14.935
  156   1HB   CYS  14          2HB       CYS  14  -6.573  -0.392 -12.193
  157   2HB   CYS  14          3HB       CYS  14  -8.010   0.579 -12.488
  158    QB   CYS  14           QB       CYS  14  -7.291   0.094 -12.340
  159    H    LYS  15           HN       LYS  15  -8.576   2.303 -13.990
  160    HA   LYS  15           HA       LYS  15  -7.263   4.921 -13.342
  161   1HB   LYS  15          2HB       LYS  15  -9.319   4.280 -15.488
  162   2HB   LYS  15          3HB       LYS  15  -8.844   5.920 -15.005
  163   1HG   LYS  15          2HG       LYS  15  -6.493   5.459 -15.655
  164   2HG   LYS  15          3HG       LYS  15  -6.924   3.806 -16.051
  165   1HD   LYS  15          2HD       LYS  15  -6.950   4.613 -18.120
  166   2HD   LYS  15          3HD       LYS  15  -8.647   4.865 -17.752
  167   1HE   LYS  15          2HE       LYS  15  -6.550   7.062 -17.305
  168   2HE   LYS  15          3HE       LYS  15  -7.160   6.730 -18.924
  169   1HZ   LYS  15          3HZ       LYS  15  -8.922   7.419 -16.679
  170   2HZ   LYS  15          1HZ       LYS  15  -8.347   8.491 -17.792
  171   3HZ   LYS  15          2HZ       LYS  15  -9.331   7.269 -18.268
  172    QB   LYS  15           QB       LYS  15  -9.082   5.100 -15.247
  173    QG   LYS  15           QG       LYS  15  -6.709   4.633 -15.853
  174    QD   LYS  15           QD       LYS  15  -7.798   4.739 -17.936
  175    QE   LYS  15           QE       LYS  15  -6.855   6.896 -18.115
  176    QZ   LYS  15           QZ       LYS  15  -8.866   7.726 -17.580
  177    NH1  ARG  16           NH2      ARG  16 -15.301   1.803  -8.303
  178    NH2  ARG  16           NH1      ARG  16 -14.836  -0.463  -8.167
  179    H    ARG  16           HN       ARG  16  -8.147   3.561 -11.335
  180    HA   ARG  16           HA       ARG  16 -10.816   4.638 -10.578
  181   1HB   ARG  16          2HB       ARG  16  -9.410   2.056 -10.079
  182   2HB   ARG  16          3HB       ARG  16 -10.285   2.733  -8.707
  183   1HG   ARG  16          2HG       ARG  16 -11.710   2.551 -11.351
  184   2HG   ARG  16          3HG       ARG  16 -11.323   1.059 -10.505
  185   1HD   ARG  16          2HD       ARG  16 -12.451   2.918  -8.565
  186   2HD   ARG  16          3HD       ARG  16 -13.487   2.834 -10.001
  187    HE   ARG  16           HE       ARG  16 -12.564   0.241  -8.988
  188   1HH1  ARG  16          2HH2      ARG  16 -14.984   2.743  -8.491
  189   2HH1  ARG  16          1HH2      ARG  16 -16.241   1.668  -7.964
  190   1HH2  ARG  16          2HH1      ARG  16 -14.205  -1.242  -8.293
  191   2HH2  ARG  16          1HH1      ARG  16 -15.762  -0.656  -7.815
  192    QB   ARG  16           QB       ARG  16  -9.847   2.394  -9.393
  193    QG   ARG  16           QG       ARG  16 -11.517   1.805 -10.928
  194    QD   ARG  16           QD       ARG  16 -12.969   2.876  -9.283
  195    QH1  ARG  16           QH2      ARG  16 -15.613   2.205  -8.228
  196    QH2  ARG  16           QH1      ARG  16 -14.984  -0.949  -8.054
  197    H    LYS  17           HN       LYS  17 -10.886   4.926  -8.115
  198    HA   LYS  17           HA       LYS  17  -8.413   5.912  -6.864
  199   1HB   LYS  17          2HB       LYS  17 -10.770   7.658  -7.729
  200   2HB   LYS  17          3HB       LYS  17  -9.912   8.006  -6.243
  201   1HG   LYS  17          2HG       LYS  17  -8.445   9.174  -7.399
  202   2HG   LYS  17          3HG       LYS  17  -7.784   7.651  -7.948
  203   1HD   LYS  17          2HD       LYS  17  -9.832   8.039  -9.798
  204   2HD   LYS  17          3HD       LYS  17  -9.372   9.705  -9.384
  205   1HE   LYS  17          2HE       LYS  17  -6.898   8.839  -9.729
  206   2HE   LYS  17          3HE       LYS  17  -7.644   7.463 -10.550
  207   1HZ   LYS  17          3HZ       LYS  17  -8.574  10.011 -11.466
  208   2HZ   LYS  17          1HZ       LYS  17  -6.960   9.778 -11.673
  209   3HZ   LYS  17          2HZ       LYS  17  -8.030   8.709 -12.319
  210    QB   LYS  17           QB       LYS  17 -10.341   7.832  -6.986
  211    QG   LYS  17           QG       LYS  17  -8.114   8.412  -7.673
  212    QD   LYS  17           QD       LYS  17  -9.602   8.872  -9.591
  213    QE   LYS  17           QE       LYS  17  -7.271   8.151 -10.140
  214    QZ   LYS  17           QZ       LYS  17  -7.855   9.499 -11.819
  215    H    ILE  18           HN       ILE  18  -8.481   4.550  -5.191
  216    HA   ILE  18           HA       ILE  18 -10.906   4.553  -3.468
  217    HB   ILE  18           HB       ILE  18  -9.139   2.148  -4.038
  218   1HG1  ILE  18          2HG1      ILE  18 -11.829   2.939  -5.223
  219   2HG1  ILE  18          3HG1      ILE  18 -10.307   2.626  -6.076
  220   1HG2  ILE  18          3HG2      ILE  18 -10.264   2.256  -1.789
  221   2HG2  ILE  18          1HG2      ILE  18 -11.827   2.396  -2.620
  222   3HG2  ILE  18          2HG2      ILE  18 -10.840   0.924  -2.777
  223   1HD1  ILE  18          1HD1      ILE  18 -10.402   0.242  -5.270
  224   2HD1  ILE  18          2HD1      ILE  18 -12.050   0.578  -4.671
  225   3HD1  ILE  18          3HD1      ILE  18 -11.689   0.719  -6.397
  226    QG1  ILE  18           QG1      ILE  18 -11.068   2.782  -5.650
  227    QG2  ILE  18           QG2      ILE  18 -10.977   1.859  -2.395
  228    QD1  ILE  18           QD1      ILE  18 -11.380   0.513  -5.446
  229    HA   PRO  19           HA       PRO  19  -7.603   6.050  -0.825
  230   1HB   PRO  19          2HB       PRO  19  -8.949   6.048   1.620
  231   2HB   PRO  19          3HB       PRO  19  -9.039   7.326   0.380
  232   1HG   PRO  19          2HG       PRO  19 -11.010   5.147   0.975
  233   2HG   PRO  19          3HG       PRO  19 -11.316   6.814   0.414
  234   1HD   PRO  19          2HD       PRO  19 -11.352   4.550  -1.195
  235   2HD   PRO  19          3HD       PRO  19 -11.051   6.201  -1.817
  236    QB   PRO  19           QB       PRO  19  -8.994   6.687   1.000
  237    QG   PRO  19           QG       PRO  19 -11.163   5.980   0.694
  238    QD   PRO  19           QD       PRO  19 -11.201   5.375  -1.506
  239    H    SER  20           HN       SER  20  -5.896   4.793  -0.183
  240    HA   SER  20           HA       SER  20  -6.356   2.556   1.663
  241   1HB   SER  20          2HB       SER  20  -4.730   2.018  -0.831
  242   2HB   SER  20          3HB       SER  20  -5.330   0.869   0.363
  243    HG   SER  20           HG       SER  20  -7.013   2.407  -1.309
  244    QB   SER  20           QB       SER  20  -5.030   1.444  -0.234
  245    H    PHE  21           HN       PHE  21  -4.180   1.584   2.188
  246    HA   PHE  21           HA       PHE  21  -1.990   3.623   2.411
  247   1HB   PHE  21          2HB       PHE  21  -3.289   1.815   4.484
  248   2HB   PHE  21          3HB       PHE  21  -1.714   2.547   4.738
  249    HD1  PHE  21          2HD       PHE  21  -5.348   3.309   4.171
  250    HD2  PHE  21          1HD       PHE  21  -1.485   4.888   5.199
  251    HE1  PHE  21          2HE       PHE  21  -6.377   5.469   4.805
  252    HE2  PHE  21          1HE       PHE  21  -2.565   6.900   6.188
  253    HZ   PHE  21           HZ       PHE  21  -5.000   7.230   5.902
  254    QB   PHE  21           QB       PHE  21  -2.501   2.181   4.611
  255    QR   PHE  21           QR       PHE  21  -3.943   5.142   5.090
  256    OH   TYR  22           OH       TYR  22   4.734   4.669  -1.480
  257    H    TYR  22           HN       TYR  22   0.099   2.749   2.077
  258    HA   TYR  22           HA       TYR  22   0.426  -0.192   2.013
  259   1HB   TYR  22          2HB       TYR  22   1.410  -0.204  -0.070
  260   2HB   TYR  22          3HB       TYR  22   0.040   0.831  -0.369
  261    HD1  TYR  22           HD2      TYR  22   0.649   3.444  -0.031
  262    HD2  TYR  22           HD1      TYR  22   3.569   0.348  -0.693
  263    HE1  TYR  22           HE2      TYR  22   2.261   5.140  -0.777
  264    HE2  TYR  22           HE1      TYR  22   5.180   2.047  -1.468
  265    HH   TYR  22           HH       TYR  22   4.401   5.541  -1.254
  266    QB   TYR  22           QB       TYR  22   0.725   0.313  -0.219
  267    QR   TYR  22           QR       TYR  22   2.915   2.745  -0.742
  268    OH   TYR  23           OH       TYR  23   8.928  -0.293   7.693
  269    H    TYR  23           HN       TYR  23   2.713  -0.775   2.258
  270    HA   TYR  23           HA       TYR  23   4.188   1.214   3.883
  271   1HB   TYR  23          2HB       TYR  23   3.869  -1.182   4.595
  272   2HB   TYR  23          3HB       TYR  23   4.979  -1.622   3.308
  273    HD1  TYR  23           HD2      TYR  23   4.605  -0.039   6.587
  274    HD2  TYR  23           HD1      TYR  23   7.381  -1.069   3.499
  275    HE1  TYR  23           HE2      TYR  23   6.464   0.487   8.117
  276    HE2  TYR  23           HE1      TYR  23   9.226  -0.911   5.139
  277    HH   TYR  23           HH       TYR  23   9.659  -0.855   7.429
  278    QB   TYR  23           QB       TYR  23   4.424  -1.402   3.952
  279    QR   TYR  23           QR       TYR  23   6.919  -0.383   5.835
  280    H    LYS  24           HN       LYS  24   5.487   2.642   2.780
  281    HA   LYS  24           HA       LYS  24   6.680   1.802   0.194
  282   1HB   LYS  24          2HB       LYS  24   5.836   4.125   0.572
  283   2HB   LYS  24          3HB       LYS  24   7.064   4.374   1.789
  284   1HG   LYS  24          2HG       LYS  24   8.842   4.266   0.251
  285   2HG   LYS  24          3HG       LYS  24   7.893   3.429  -0.982
  286   1HD   LYS  24          2HD       LYS  24   6.980   5.309  -1.820
  287   2HD   LYS  24          3HD       LYS  24   6.914   6.144  -0.258
  288   1HE   LYS  24          2HE       LYS  24   9.419   6.551  -0.483
  289   2HE   LYS  24          3HE       LYS  24   9.331   5.782  -2.079
  290   1HZ   LYS  24          3HZ       LYS  24   7.586   7.534  -2.549
  291   2HZ   LYS  24          1HZ       LYS  24   8.162   8.323  -1.226
  292   3HZ   LYS  24          2HZ       LYS  24   9.155   8.017  -2.497
  293    QB   LYS  24           QB       LYS  24   6.450   4.249   1.180
  294    QG   LYS  24           QG       LYS  24   8.368   3.848  -0.365
  295    QD   LYS  24           QD       LYS  24   6.947   5.727  -1.039
  296    QE   LYS  24           QE       LYS  24   9.375   6.166  -1.281
  297    QZ   LYS  24           QZ       LYS  24   8.301   7.958  -2.091
  298    CH2  TRP  25           CH2      TRP  25  12.240  -4.741   5.191
  299    H    TRP  25           HN       TRP  25   7.926  -0.028   1.053
  300    HA   TRP  25           HA       TRP  25   9.859   0.149   3.085
  301   1HB   TRP  25          2HB       TRP  25   9.237  -1.851   1.887
  302   2HB   TRP  25          3HB       TRP  25  10.108  -1.323   0.440
  303    HD1  TRP  25           HD1      TRP  25  12.851  -1.265   0.707
  304    HE1  TRP  25           HE1      TRP  25  14.422  -2.702   2.105
  305    HE3  TRP  25           HE3      TRP  25   9.439  -3.287   3.906
  306    HZ2  TRP  25           HZ2      TRP  25  14.232  -4.490   4.389
  307    HZ3  TRP  25           HZ3      TRP  25  10.146  -4.826   5.707
  308    HH2  TRP  25           HH2      TRP  25  12.539  -5.451   5.948
  309    QB   TRP  25           QB       TRP  25   9.672  -1.587   1.164
  310    H    LYS  26           HN       LYS  26   9.930   1.566  -0.106
  311    HA   LYS  26           HA       LYS  26  12.674   2.154  -0.304
  312   1HB   LYS  26          2HB       LYS  26  10.473   2.575  -1.888
  313   2HB   LYS  26          3HB       LYS  26  10.717   4.196  -1.240
  314   1HG   LYS  26          2HG       LYS  26  12.013   4.217  -3.202
  315   2HG   LYS  26          3HG       LYS  26  13.193   3.901  -1.935
  316   1HD   LYS  26          2HD       LYS  26  13.804   2.309  -3.490
  317   2HD   LYS  26          3HD       LYS  26  12.709   1.342  -2.491
  318   1HE   LYS  26          2HE       LYS  26  10.873   1.705  -4.126
  319   2HE   LYS  26          3HE       LYS  26  11.905   2.786  -5.074
  320   1HZ   LYS  26          1HZ       LYS  26  12.415  -0.084  -4.663
  321   2HZ   LYS  26          2HZ       LYS  26  11.816   0.609  -6.025
  322   3HZ   LYS  26          3HZ       LYS  26  13.347   0.946  -5.547
  323    QB   LYS  26           QB       LYS  26  10.595   3.385  -1.564
  324    QG   LYS  26           QG       LYS  26  12.603   4.059  -2.569
  325    QD   LYS  26           QD       LYS  26  13.256   1.826  -2.990
  326    QE   LYS  26           QE       LYS  26  11.389   2.245  -4.600
  327    QZ   LYS  26           QZ       LYS  26  12.526   0.490  -5.412
  328    H    ALA  27           HN       ALA  27  10.190   3.608   1.729
  329    HA   ALA  27           HA       ALA  27  12.040   5.751   2.682
  330   1HB   ALA  27          1HB       ALA  27   9.448   6.012   1.746
  331   2HB   ALA  27          2HB       ALA  27   9.189   5.870   3.487
  332   3HB   ALA  27          3HB       ALA  27  10.262   7.130   2.849
  333    QB   ALA  27           QB       ALA  27   9.633   6.337   2.694
  334    H    LYS  28           HN       LYS  28  10.021   3.067   3.565
  335    HA   LYS  28           HA       LYS  28  10.050   1.563   5.159
  336   1HB   LYS  28          2HB       LYS  28  11.920   3.144   6.928
  337   2HB   LYS  28          3HB       LYS  28  11.532   1.420   6.938
  338   1HG   LYS  28          2HG       LYS  28  12.449   1.764   4.353
  339   2HG   LYS  28          3HG       LYS  28  13.362   3.006   5.211
  340   1HD   LYS  28          2HD       LYS  28  13.660   0.720   6.824
  341   2HD   LYS  28          3HD       LYS  28  13.613   0.035   5.196
  342   1HE   LYS  28          2HE       LYS  28  15.402   2.327   6.153
  343   2HE   LYS  28          3HE       LYS  28  15.940   0.652   5.998
  344   1HZ   LYS  28          3HZ       LYS  28  14.802   1.988   3.658
  345   2HZ   LYS  28          1HZ       LYS  28  16.343   2.339   4.110
  346   3HZ   LYS  28          2HZ       LYS  28  15.932   0.794   3.734
  347    QB   LYS  28           QB       LYS  28  11.726   2.282   6.933
  348    QG   LYS  28           QG       LYS  28  12.905   2.385   4.782
  349    QD   LYS  28           QD       LYS  28  13.636   0.377   6.010
  350    QE   LYS  28           QE       LYS  28  15.671   1.489   6.075
  351    QZ   LYS  28           QZ       LYS  28  15.692   1.707   3.834
  352    H    GLN  29           HN       GLN  29   7.945   3.153   4.862
  353    HA   GLN  29           HA       GLN  29   6.741   3.068   7.455
  354   1HB   GLN  29          2HB       GLN  29   7.656   5.728   6.353
  355   2HB   GLN  29          3HB       GLN  29   6.010   5.655   6.971
  356   1HG   GLN  29          2HG       GLN  29   7.135   4.495   9.080
  357   2HG   GLN  29          3HG       GLN  29   8.580   5.335   8.503
  358   1HE2  GLN  29          2HE2      GLN  29   6.933   8.612   8.942
  359   2HE2  GLN  29          1HE2      GLN  29   7.871   7.774   7.717
  360    QB   GLN  29           QB       GLN  29   6.833   5.692   6.662
  361    QG   GLN  29           QG       GLN  29   7.857   4.915   8.792
  362    QE2  GLN  29           QE2      GLN  29   7.402   8.193   8.329
  363    H    CYS  30           HN       CYS  30   4.459   3.758   7.364
  364    HA   CYS  30           HA       CYS  30   3.221   2.739   4.906
  365   1HB   CYS  30          2HB       CYS  30   2.089   3.633   7.546
  366   2HB   CYS  30          3HB       CYS  30   1.165   2.857   6.235
  367    QB   CYS  30           QB       CYS  30   1.627   3.245   6.890
  368    H    LEU  31           HN       LEU  31   2.189   4.039   3.402
  369    HA   LEU  31           HA       LEU  31   1.826   6.902   4.116
  370   1HB   LEU  31          2HB       LEU  31   3.001   5.883   1.513
  371   2HB   LEU  31          3HB       LEU  31   2.675   7.567   1.921
  372    HG   LEU  31           HG       LEU  31   4.744   5.732   3.176
  373   1HD1  LEU  31          2HD1      LEU  31   4.942   7.108   0.811
  374   2HD1  LEU  31          3HD1      LEU  31   5.647   8.274   1.932
  375   3HD1  LEU  31          1HD1      LEU  31   6.295   6.634   1.863
  376   1HD2  LEU  31          3HD2      LEU  31   3.638   8.258   4.243
  377   2HD2  LEU  31          1HD2      LEU  31   4.659   7.024   5.017
  378   3HD2  LEU  31          2HD2      LEU  31   5.397   8.293   4.077
  379    QB   LEU  31           QB       LEU  31   2.838   6.725   1.717
  380    QD1  LEU  31           QD1      LEU  31   5.628   7.339   1.535
  381    QD2  LEU  31           QD2      LEU  31   4.565   7.858   4.446
  382    QQD  LEU  31           QQD      LEU  31   5.096   7.598   2.991
  383    HA   PRO  32           HA       PRO  32  -2.207   5.997   2.474
  384   1HB   PRO  32          2HB       PRO  32  -3.123   8.649   2.296
  385   2HB   PRO  32          3HB       PRO  32  -3.218   7.611   3.718
  386   1HG   PRO  32          2HG       PRO  32  -1.380   9.875   3.188
  387   2HG   PRO  32          3HG       PRO  32  -1.849   9.153   4.750
  388   1HD   PRO  32          2HD       PRO  32   0.593   8.768   3.342
  389   2HD   PRO  32          3HD       PRO  32   0.010   7.862   4.773
  390    QB   PRO  32           QB       PRO  32  -3.170   8.130   3.007
  391    QG   PRO  32           QG       PRO  32  -1.615   9.514   3.969
  392    QD   PRO  32           QD       PRO  32   0.302   8.315   4.057
  393    H    PHE  33           HN       PHE  33  -3.316   6.134   0.445
  394    HA   PHE  33           HA       PHE  33  -2.528   7.999  -1.600
  395   1HB   PHE  33          2HB       PHE  33  -1.410   6.520  -3.094
  396   2HB   PHE  33          3HB       PHE  33  -0.567   6.354  -1.575
  397    HD1  PHE  33          2HD       PHE  33  -1.464   4.400   0.028
  398    HD2  PHE  33          1HD       PHE  33  -2.236   4.612  -4.202
  399    HE1  PHE  33          2HE       PHE  33  -2.027   1.980  -0.024
  400    HE2  PHE  33          1HE       PHE  33  -2.858   2.249  -4.212
  401    HZ   PHE  33           HZ       PHE  33  -2.752   0.910  -2.042
  402    QB   PHE  33           QB       PHE  33  -0.989   6.437  -2.335
  403    QR   PHE  33           QR       PHE  33  -2.146   3.310  -2.103
  404    H    ASP  34           HN       ASP  34  -3.431   6.916  -3.822
  405    HA   ASP  34           HA       ASP  34  -6.203   5.956  -3.229
  406   1HB   ASP  34          2HB       ASP  34  -5.097   8.032  -5.099
  407   2HB   ASP  34          3HB       ASP  34  -6.359   6.961  -5.721
  408    QB   ASP  34           QB       ASP  34  -5.728   7.496  -5.410
  409    OH   TYR  35           OH       TYR  35  -5.289  -3.621  -6.942
  410    H    TYR  35           HN       TYR  35  -6.279   3.843  -3.640
  411    HA   TYR  35           HA       TYR  35  -4.514   2.573  -5.613
  412   1HB   TYR  35          2HB       TYR  35  -5.103   1.406  -3.480
  413   2HB   TYR  35          3HB       TYR  35  -6.807   1.507  -3.899
  414    HD1  TYR  35           HD1      TYR  35  -3.806   0.520  -5.908
  415    HD2  TYR  35           HD2      TYR  35  -7.504  -0.781  -4.169
  416    HE1  TYR  35           HE1      TYR  35  -3.566  -1.618  -7.083
  417    HE2  TYR  35           HE2      TYR  35  -7.128  -3.046  -5.170
  418    HH   TYR  35           HH       TYR  35  -4.635  -3.571  -7.641
  419    QB   TYR  35           QB       TYR  35  -5.955   1.457  -3.689
  420    QR   TYR  35           QR       TYR  35  -5.501  -1.231  -5.583
  421    H    SER  36           HN       SER  36  -5.317   1.438  -7.492
  422    HA   SER  36           HA       SER  36  -7.757   2.619  -8.606
  423   1HB   SER  36          2HB       SER  36  -7.223   1.408 -10.588
  424   2HB   SER  36          3HB       SER  36  -5.780   2.255 -10.033
  425    HG   SER  36           HG       SER  36  -4.924   0.332  -9.350
  426    QB   SER  36           QB       SER  36  -6.501   1.832 -10.310
  427    H    GLY  37           HN       GLY  37  -6.644  -0.738  -8.331
  428   1HA   GLY  37          1HA       GLY  37  -8.586  -2.116  -6.898
  429   2HA   GLY  37          2HA       GLY  37  -9.415  -1.671  -8.387
  430    QA   GLY  37           QA       GLY  37  -9.001  -1.893  -7.642
  431    H    CYS  38           HN       CYS  38  -6.671  -1.802  -9.863
  432    HA   CYS  38           HA       CYS  38  -6.586  -4.762 -10.175
  433   1HB   CYS  38          2HB       CYS  38  -6.416  -3.388 -12.719
  434   2HB   CYS  38          3HB       CYS  38  -7.468  -4.699 -12.224
  435    QB   CYS  38           QB       CYS  38  -6.942  -4.044 -12.472
  436    H    GLY  39           HN       GLY  39  -4.568  -5.522 -10.931
  437   1HA   GLY  39          1HA       GLY  39  -2.274  -5.512 -11.066
  438   2HA   GLY  39          2HA       GLY  39  -2.394  -3.908 -11.790
  439    QA   GLY  39           QA       GLY  39  -2.334  -4.710 -11.428
  440    H    GLY  40           HN       GLY  40  -3.275  -5.117  -8.540
  441   1HA   GLY  40          1HA       GLY  40  -1.581  -3.019  -7.237
  442   2HA   GLY  40          2HA       GLY  40  -2.825  -3.924  -6.443
  443    QA   GLY  40           QA       GLY  40  -2.203  -3.471  -6.840
  444    H    ASN  41           HN       ASN  41  -1.419  -4.599  -4.822
  445    HA   ASN  41           HA       ASN  41  -0.050  -7.083  -5.350
  446   1HB   ASN  41          2HB       ASN  41   1.987  -6.326  -4.327
  447   2HB   ASN  41          3HB       ASN  41   1.739  -5.455  -5.828
  448   1HD2  ASN  41          2HD2      ASN  41   2.607  -2.515  -4.052
  449   2HD2  ASN  41          1HD2      ASN  41   3.074  -3.771  -5.168
  450    QB   ASN  41           QB       ASN  41   1.863  -5.890  -5.078
  451    QD2  ASN  41           QD2      ASN  41   2.841  -3.143  -4.610
  452    H    ALA  42           HN       ALA  42   1.085  -7.493  -2.907
  453    HA   ALA  42           HA       ALA  42  -1.375  -7.518  -1.233
  454   1HB   ALA  42          3HB       ALA  42   0.099  -9.572  -1.726
  455   2HB   ALA  42          1HB       ALA  42   1.273  -8.849  -0.618
  456   3HB   ALA  42          2HB       ALA  42  -0.341  -9.276  -0.032
  457    QB   ALA  42           QB       ALA  42   0.343  -9.233  -0.792
  458    H    ASN  43           HN       ASN  43   0.189  -4.968  -1.608
  459    HA   ASN  43           HA       ASN  43   0.892  -4.438   1.247
  460   1HB   ASN  43          2HB       ASN  43   2.743  -4.342  -0.639
  461   2HB   ASN  43          3HB       ASN  43   1.939  -2.872  -1.147
  462   1HD2  ASN  43          2HD2      ASN  43   4.553  -1.565   0.986
  463   2HD2  ASN  43          1HD2      ASN  43   4.358  -2.218  -0.591
  464    QB   ASN  43           QB       ASN  43   2.341  -3.607  -0.893
  465    QD2  ASN  43           QD2      ASN  43   4.456  -1.892   0.197
  466    NH1  ARG  44           NH2      ARG  44  -2.244  -0.315  -4.134
  467    NH2  ARG  44           NH1      ARG  44  -0.899  -2.130  -4.268
  468    H    ARG  44           HN       ARG  44  -1.613  -4.355   1.157
  469    HA   ARG  44           HA       ARG  44  -2.318  -1.512   0.789
  470   1HB   ARG  44          2HB       ARG  44  -3.157  -3.476  -1.023
  471   2HB   ARG  44          3HB       ARG  44  -4.558  -3.237   0.004
  472   1HG   ARG  44          2HG       ARG  44  -4.981  -1.137  -0.657
  473   2HG   ARG  44          3HG       ARG  44  -3.283  -0.686  -0.892
  474   1HD   ARG  44          2HD       ARG  44  -4.941  -2.507  -2.682
  475   2HD   ARG  44          3HD       ARG  44  -4.499  -0.854  -3.001
  476    HE   ARG  44           HE       ARG  44  -2.679  -3.250  -2.904
  477   1HH1  ARG  44          2HH2      ARG  44  -3.082   0.146  -3.831
  478   2HH1  ARG  44          1HH2      ARG  44  -1.644   0.123  -4.827
  479   1HH2  ARG  44          2HH1      ARG  44  -0.449  -2.888  -3.761
  480   2HH2  ARG  44          1HH1      ARG  44  -0.409  -1.615  -4.991
  481    QB   ARG  44           QB       ARG  44  -3.857  -3.356  -0.510
  482    QG   ARG  44           QG       ARG  44  -4.132  -0.912  -0.774
  483    QD   ARG  44           QD       ARG  44  -4.720  -1.681  -2.841
  484    QH1  ARG  44           QH2      ARG  44  -2.363   0.134  -4.329
  485    QH2  ARG  44           QH1      ARG  44  -0.429  -2.251  -4.376
  486    H    PHE  45           HN       PHE  45  -3.463  -0.760   2.358
  487    HA   PHE  45           HA       PHE  45  -4.814  -2.509   4.359
  488   1HB   PHE  45          2HB       PHE  45  -2.770  -0.284   4.765
  489   2HB   PHE  45          3HB       PHE  45  -3.649  -1.112   6.039
  490    HD1  PHE  45          2HD       PHE  45  -3.169  -3.440   6.563
  491    HD2  PHE  45          1HD       PHE  45  -0.911  -1.427   3.524
  492    HE1  PHE  45          2HE       PHE  45  -1.440  -5.190   6.720
  493    HE2  PHE  45          1HE       PHE  45   0.834  -3.179   3.663
  494    HZ   PHE  45           HZ       PHE  45   0.571  -5.049   5.282
  495    QB   PHE  45           QB       PHE  45  -3.210  -0.698   5.402
  496    QR   PHE  45           QR       PHE  45  -1.172  -3.309   5.118
  497    H    LYS  46           HN       LYS  46  -6.576  -1.518   5.275
  498    HA   LYS  46           HA       LYS  46  -7.643   0.930   3.976
  499   1HB   LYS  46          2HB       LYS  46  -8.684  -1.250   5.782
  500   2HB   LYS  46          3HB       LYS  46  -9.550   0.274   5.705
  501   1HG   LYS  46          2HG       LYS  46  -8.771  -0.998   3.074
  502   2HG   LYS  46          3HG       LYS  46 -10.001  -1.800   4.043
  503   1HD   LYS  46          2HD       LYS  46 -11.070   0.671   4.188
  504   2HD   LYS  46          3HD       LYS  46 -10.033   0.990   2.802
  505   1HE   LYS  46          2HE       LYS  46 -12.296   0.376   2.103
  506   2HE   LYS  46          3HE       LYS  46 -11.151  -0.853   1.547
  507   1HZ   LYS  46          2HZ       LYS  46 -12.232  -1.425   4.124
  508   2HZ   LYS  46          3HZ       LYS  46 -13.410  -1.292   2.987
  509   3HZ   LYS  46          1HZ       LYS  46 -12.186  -2.371   2.781
  510    QB   LYS  46           QB       LYS  46  -9.117  -0.488   5.744
  511    QG   LYS  46           QG       LYS  46  -9.386  -1.399   3.559
  512    QD   LYS  46           QD       LYS  46 -10.552   0.831   3.495
  513    QE   LYS  46           QE       LYS  46 -11.724  -0.238   1.825
  514    QZ   LYS  46           QZ       LYS  46 -12.610  -1.696   3.297
  515    H    THR  47           HN       THR  47  -5.665   0.182   6.699
  516    HA   THR  47           HA       THR  47  -6.165   2.899   7.769
  517    HB   THR  47           HB       THR  47  -6.149   2.107  10.047
  518    HG1  THR  47          1HG       THR  47  -6.358  -0.320  10.231
  519   1HG2  THR  47          1HG2      THR  47  -8.361   2.134   8.911
  520   2HG2  THR  47          2HG2      THR  47  -8.167   0.415   8.498
  521   3HG2  THR  47          3HG2      THR  47  -8.271   0.912  10.193
  522    QG2  THR  47           QG2      THR  47  -8.266   1.154   9.201
  523    H    ILE  48           HN       ILE  48  -4.342   3.837   8.714
  524    HA   ILE  48           HA       ILE  48  -1.787   2.877   7.849
  525    HB   ILE  48           HB       ILE  48  -2.508   5.302   8.488
  526   1HG1  ILE  48          2HG1      ILE  48  -0.202   5.786   9.604
  527   2HG1  ILE  48          3HG1      ILE  48   0.137   4.068   9.342
  528   1HG2  ILE  48          2HG2      ILE  48  -3.356   4.554  10.802
  529   2HG2  ILE  48          3HG2      ILE  48  -1.640   4.496  11.277
  530   3HG2  ILE  48          1HG2      ILE  48  -2.361   6.018  10.722
  531   1HD1  ILE  48          2HD1      ILE  48  -0.678   6.087   7.208
  532   2HD1  ILE  48          3HD1      ILE  48   0.962   5.549   7.544
  533   3HD1  ILE  48          1HD1      ILE  48  -0.239   4.381   6.936
  534    QG1  ILE  48           QG1      ILE  48  -0.033   4.927   9.473
  535    QG2  ILE  48           QG2      ILE  48  -2.452   5.023  10.933
  536    QD1  ILE  48           QD1      ILE  48   0.015   5.339   7.230
  537    H    GLU  49           HN       GLU  49  -3.750   2.297  10.753
  538    HA   GLU  49           HA       GLU  49  -1.515   1.283  12.223
  539   1HB   GLU  49          2HB       GLU  49  -4.225   1.870  12.889
  540   2HB   GLU  49          3HB       GLU  49  -4.109   0.121  13.022
  541   1HG   GLU  49          2HG       GLU  49  -1.767   1.052  14.333
  542   2HG   GLU  49          3HG       GLU  49  -3.038   2.198  14.784
  543    QB   GLU  49           QB       GLU  49  -4.167   0.995  12.956
  544    QG   GLU  49           QG       GLU  49  -2.402   1.625  14.559
  545    H    GLU  50           HN       GLU  50  -3.958  -0.319  10.092
  546    HA   GLU  50           HA       GLU  50  -3.062  -2.951  10.766
  547   1HB   GLU  50          2HB       GLU  50  -5.167  -2.255   9.530
  548   2HB   GLU  50          3HB       GLU  50  -4.187  -2.014   8.091
  549   1HG   GLU  50          2HG       GLU  50  -3.616  -4.561   8.358
  550   2HG   GLU  50          3HG       GLU  50  -4.832  -4.568   9.629
  551    QB   GLU  50           QB       GLU  50  -4.677  -2.135   8.811
  552    QG   GLU  50           QG       GLU  50  -4.224  -4.564   8.994
  553    H    CYS  51           HN       CYS  51  -2.014  -0.661   8.190
  554    HA   CYS  51           HA       CYS  51   0.105  -2.263   7.174
  555   1HB   CYS  51          2HB       CYS  51  -0.672  -0.305   5.970
  556   2HB   CYS  51          3HB       CYS  51  -0.158   0.760   7.268
  557    QB   CYS  51           QB       CYS  51  -0.415   0.227   6.619
  558    NH1  ARG  52           NH2      ARG  52   2.469   3.221  15.110
  559    NH2  ARG  52           NH1      ARG  52   0.341   4.090  14.793
  560    H    ARG  52           HN       ARG  52   0.315   0.352   9.675
  561    HA   ARG  52           HA       ARG  52   3.074   0.017  10.130
  562   1HB   ARG  52          2HB       ARG  52   1.566   1.964  10.630
  563   2HB   ARG  52          3HB       ARG  52   1.006   1.110  12.078
  564   1HG   ARG  52          2HG       ARG  52   3.175   1.287  13.084
  565   2HG   ARG  52          3HG       ARG  52   3.960   1.605  11.524
  566   1HD   ARG  52          2HD       ARG  52   3.850   3.693  12.816
  567   2HD   ARG  52          3HD       ARG  52   2.979   3.772  11.300
  568    HE   ARG  52           HE       ARG  52   0.994   4.068  12.367
  569   1HH1  ARG  52          2HH2      ARG  52   3.324   2.859  14.713
  570   2HH1  ARG  52          1HH2      ARG  52   2.336   3.145  16.108
  571   1HH2  ARG  52          2HH1      ARG  52  -0.396   4.408  14.181
  572   2HH2  ARG  52          1HH1      ARG  52   0.150   4.041  15.783
  573    QB   ARG  52           QB       ARG  52   1.286   1.537  11.354
  574    QG   ARG  52           QG       ARG  52   3.567   1.446  12.304
  575    QD   ARG  52           QD       ARG  52   3.414   3.733  12.058
  576    QH1  ARG  52           QH2      ARG  52   2.830   3.002  15.411
  577    QH2  ARG  52           QH1      ARG  52  -0.123   4.225  14.982
  578    NH1  ARG  53           NH2      ARG  53   2.600  -5.182  15.748
  579    NH2  ARG  53           NH1      ARG  53   1.877  -6.844  17.176
  580    H    ARG  53           HN       ARG  53   0.254  -1.625  11.596
  581    HA   ARG  53           HA       ARG  53   1.758  -2.966  13.627
  582   1HB   ARG  53          2HB       ARG  53  -0.744  -2.585  13.632
  583   2HB   ARG  53          3HB       ARG  53  -0.873  -3.739  12.292
  584   1HG   ARG  53          2HG       ARG  53  -1.421  -4.992  14.193
  585   2HG   ARG  53          3HG       ARG  53   0.261  -5.432  13.902
  586   1HD   ARG  53          2HD       ARG  53   0.676  -3.319  15.578
  587   2HD   ARG  53          3HD       ARG  53  -0.970  -3.663  16.031
  588    HE   ARG  53           HE       ARG  53  -0.323  -5.623  17.063
  589   1HH1  ARG  53          2HH2      ARG  53   2.548  -4.174  15.545
  590   2HH1  ARG  53          1HH2      ARG  53   3.472  -5.636  15.532
  591   1HH2  ARG  53          2HH1      ARG  53   1.154  -7.273  17.735
  592   2HH2  ARG  53          1HH1      ARG  53   2.809  -7.228  17.211
  593    QB   ARG  53           QB       ARG  53  -0.809  -3.162  12.962
  594    QG   ARG  53           QG       ARG  53  -0.580  -5.212  14.048
  595    QD   ARG  53           QD       ARG  53  -0.147  -3.491  15.804
  596    QH1  ARG  53           QH2      ARG  53   3.010  -4.905  15.539
  597    QH2  ARG  53           QH1      ARG  53   1.981  -7.250  17.473
  598    H    THR  54           HN       THR  54   0.919  -3.740  10.211
  599    HA   THR  54           HA       THR  54   1.913  -6.444  10.345
  600    HB   THR  54           HB       THR  54   1.533  -4.532   8.006
  601    HG1  THR  54          1HG       THR  54  -0.107  -6.145   9.499
  602   1HG2  THR  54          2HG2      THR  54   3.055  -6.824   7.844
  603   2HG2  THR  54          3HG2      THR  54   1.442  -7.485   7.606
  604   3HG2  THR  54          1HG2      THR  54   2.053  -6.190   6.546
  605    QG2  THR  54           QG2      THR  54   2.184  -6.833   7.332
  606    H    CYS  55           HN       CYS  55   3.379  -3.327   9.252
  607    HA   CYS  55           HA       CYS  55   5.884  -4.808   8.793
  608   1HB   CYS  55          2HB       CYS  55   4.874  -2.547   7.558
  609   2HB   CYS  55          3HB       CYS  55   6.241  -1.982   8.519
  610    QB   CYS  55           QB       CYS  55   5.557  -2.264   8.039
  611    H    VAL  56           HN       VAL  56   4.915  -2.055  10.823
  612    HA   VAL  56           HA       VAL  56   7.431  -2.082  12.350
  613    HB   VAL  56           HB       VAL  56   5.053  -0.161  12.472
  614   1HG1  VAL  56          2HG1      VAL  56   7.804  -0.074  13.693
  615   2HG1  VAL  56          3HG1      VAL  56   6.920   1.418  13.319
  616   3HG1  VAL  56          1HG1      VAL  56   6.208   0.273  14.423
  617   1HG2  VAL  56          3HG2      VAL  56   7.336  -0.281  10.551
  618   2HG2  VAL  56          1HG2      VAL  56   5.667   0.287  10.350
  619   3HG2  VAL  56          2HG2      VAL  56   6.853   1.311  11.150
  620    QG1  VAL  56           QG1      VAL  56   6.978   0.539  13.812
  621    QG2  VAL  56           QG2      VAL  56   6.619   0.439  10.683
  622    QQG  VAL  56           QQG      VAL  56   6.798   0.489  12.248
  623    H    GLY  57           HN       GLY  57   6.588  -1.519  14.894
  624   1HA   GLY  57          1HA       GLY  57   5.073  -3.898  15.764
  625   2HA   GLY  57          2HA       GLY  57   5.935  -2.731  16.775
  626    QA   GLY  57           QA       GLY  57   5.504  -3.315  16.269
   
  Start of MODEL          20
 Raw file had  626 H/Q atoms
  Start of MODEL   20
    1    H    ALA   1           HN       ALA   1   8.739  -8.188   9.947
    2    HA   ALA   1           HA       ALA   1   7.278  -6.634   8.888
    3   1HB   ALA   1          1HB       ALA   1   9.014  -4.936   8.381
    4   2HB   ALA   1          2HB       ALA   1   9.681  -5.993   7.114
    5   3HB   ALA   1          3HB       ALA   1   8.051  -5.311   6.939
    6    QB   ALA   1           QB       ALA   1   8.916  -5.413   7.478
    7    H    ALA   2           HN       ALA   2   6.123  -7.073   6.772
    8    HA   ALA   2           HA       ALA   2   6.265  -9.892   6.227
    9   1HB   ALA   2          3HB       ALA   2   4.154  -8.622   6.268
   10   2HB   ALA   2          1HB       ALA   2   4.659  -7.729   4.820
   11   3HB   ALA   2          2HB       ALA   2   4.389  -9.479   4.735
   12    QB   ALA   2           QB       ALA   2   4.401  -8.610   5.274
   13    H    LYS   3           HN       LYS   3   6.321 -10.846   4.055
   14    HA   LYS   3           HA       LYS   3   8.700 -10.202   2.650
   15   1HB   LYS   3          2HB       LYS   3   6.923 -12.375   2.677
   16   2HB   LYS   3          3HB       LYS   3   6.703 -11.685   1.071
   17   1HG   LYS   3          2HG       LYS   3   8.419 -13.239   0.797
   18   2HG   LYS   3          3HG       LYS   3   9.281 -11.700   0.876
   19   1HD   LYS   3          2HD       LYS   3   9.590 -12.226   3.421
   20   2HD   LYS   3          3HD       LYS   3   8.944 -13.832   3.037
   21   1HE   LYS   3          2HE       LYS   3  10.801 -14.059   1.289
   22   2HE   LYS   3          3HE       LYS   3  11.479 -12.541   1.899
   23   1HZ   LYS   3          2HZ       LYS   3  11.719 -13.631   4.060
   24   2HZ   LYS   3          3HZ       LYS   3  11.140 -15.040   3.433
   25   3HZ   LYS   3          1HZ       LYS   3  12.551 -14.413   2.880
   26    QB   LYS   3           QB       LYS   3   6.813 -12.030   1.874
   27    QG   LYS   3           QG       LYS   3   8.850 -12.469   0.837
   28    QD   LYS   3           QD       LYS   3   9.267 -13.029   3.229
   29    QE   LYS   3           QE       LYS   3  11.140 -13.300   1.594
   30    QZ   LYS   3           QZ       LYS   3  11.803 -14.361   3.458
   31    OH   TYR   4           OH       TYR   4   0.814  -8.340   5.230
   32    H    TYR   4           HN       TYR   4   5.244  -9.750   1.778
   33    HA   TYR   4           HA       TYR   4   5.672  -8.250  -0.568
   34   1HB   TYR   4          2HB       TYR   4   3.334  -7.522  -0.257
   35   2HB   TYR   4          3HB       TYR   4   3.590  -9.267  -0.146
   36    HD1  TYR   4           HD2      TYR   4   3.122  -6.180   1.983
   37    HD2  TYR   4           HD1      TYR   4   2.559 -10.442   1.596
   38    HE1  TYR   4           HE2      TYR   4   1.935  -6.230   4.143
   39    HE2  TYR   4           HE1      TYR   4   1.258 -10.455   3.692
   40    HH   TYR   4           HH       TYR   4   0.385  -9.178   5.421
   41    QB   TYR   4           QB       TYR   4   3.462  -8.394  -0.201
   42    QR   TYR   4           QR       TYR   4   2.218  -8.327   2.853
   43    H    CYS   5           HN       CYS   5   6.043  -7.270   2.724
   44    HA   CYS   5           HA       CYS   5   5.313  -4.561   2.542
   45   1HB   CYS   5          2HB       CYS   5   6.068  -5.993   4.585
   46   2HB   CYS   5          3HB       CYS   5   7.684  -5.365   4.242
   47    QB   CYS   5           QB       CYS   5   6.876  -5.679   4.413
   48    H    LYS   6           HN       LYS   6   8.013  -6.164   1.140
   49    HA   LYS   6           HA       LYS   6   9.770  -3.902   0.764
   50   1HB   LYS   6          2HB       LYS   6   9.669  -6.749  -0.084
   51   2HB   LYS   6          3HB       LYS   6  10.250  -5.669  -1.330
   52   1HG   LYS   6          2HG       LYS   6  12.159  -6.394  -0.127
   53   2HG   LYS   6          3HG       LYS   6  11.896  -4.681   0.148
   54   1HD   LYS   6          2HD       LYS   6  12.570  -5.554   2.193
   55   2HD   LYS   6          3HD       LYS   6  10.846  -5.257   2.405
   56   1HE   LYS   6          2HE       LYS   6  11.937  -8.003   1.622
   57   2HE   LYS   6          3HE       LYS   6  11.978  -7.448   3.298
   58   1HZ   LYS   6          1HZ       LYS   6   9.556  -7.218   3.245
   59   2HZ   LYS   6          2HZ       LYS   6   9.507  -7.791   1.705
   60   3HZ   LYS   6          3HZ       LYS   6  10.054  -8.717   2.927
   61    QB   LYS   6           QB       LYS   6   9.960  -6.209  -0.707
   62    QG   LYS   6           QG       LYS   6  12.028  -5.538   0.011
   63    QD   LYS   6           QD       LYS   6  11.708  -5.406   2.299
   64    QE   LYS   6           QE       LYS   6  11.957  -7.725   2.460
   65    QZ   LYS   6           QZ       LYS   6   9.705  -7.909   2.626
   66    H    LEU   7           HN       LEU   7   6.799  -4.940  -0.877
   67    HA   LEU   7           HA       LEU   7   7.564  -4.166  -3.462
   68   1HB   LEU   7          2HB       LEU   7   4.844  -4.338  -2.172
   69   2HB   LEU   7          3HB       LEU   7   5.094  -4.223  -3.911
   70    HG   LEU   7           HG       LEU   7   6.367  -6.485  -2.306
   71   1HD1  LEU   7          1HD1      LEU   7   3.796  -6.316  -2.017
   72   2HD1  LEU   7          2HD1      LEU   7   3.746  -6.662  -3.745
   73   3HD1  LEU   7          3HD1      LEU   7   4.452  -7.850  -2.654
   74   1HD2  LEU   7          3HD2      LEU   7   5.474  -6.233  -5.219
   75   2HD2  LEU   7          1HD2      LEU   7   7.160  -6.173  -4.647
   76   3HD2  LEU   7          2HD2      LEU   7   6.206  -7.665  -4.468
   77    QB   LEU   7           QB       LEU   7   4.969  -4.281  -3.041
   78    QD1  LEU   7           QD1      LEU   7   3.998  -6.943  -2.805
   79    QD2  LEU   7           QD2      LEU   7   6.280  -6.690  -4.778
   80    QQD  LEU   7           QQD      LEU   7   5.139  -6.817  -3.792
   81    HA   PRO   8           HA       PRO   8   7.331   0.261  -2.979
   82   1HB   PRO   8          2HB       PRO   8   7.533   1.102  -5.575
   83   2HB   PRO   8          3HB       PRO   8   8.852   0.210  -4.767
   84   1HG   PRO   8          2HG       PRO   8   6.674  -0.942  -6.540
   85   2HG   PRO   8          3HG       PRO   8   8.442  -1.144  -6.726
   86   1HD   PRO   8          2HD       PRO   8   6.919  -3.002  -5.426
   87   2HD   PRO   8          3HD       PRO   8   8.559  -2.579  -4.837
   88    QB   PRO   8           QB       PRO   8   8.192   0.656  -5.171
   89    QG   PRO   8           QG       PRO   8   7.558  -1.043  -6.633
   90    QD   PRO   8           QD       PRO   8   7.739  -2.791  -5.131
   91    H    LEU   9           HN       LEU   9   6.121   2.213  -4.173
   92    HA   LEU   9           HA       LEU   9   3.327   1.931  -3.818
   93   1HB   LEU   9          2HB       LEU   9   4.463   4.125  -3.770
   94   2HB   LEU   9          3HB       LEU   9   4.869   3.970  -5.472
   95    HG   LEU   9           HG       LEU   9   2.575   4.107  -6.159
   96   1HD1  LEU   9          2HD1      LEU   9   1.756   4.098  -3.217
   97   2HD1  LEU   9          3HD1      LEU   9   0.700   4.505  -4.559
   98   3HD1  LEU   9          1HD1      LEU   9   1.331   2.874  -4.409
   99   1HD2  LEU   9          2HD2      LEU   9   3.755   6.218  -5.658
  100   2HD2  LEU   9          3HD2      LEU   9   2.006   6.363  -5.396
  101   3HD2  LEU   9          1HD2      LEU   9   3.097   6.192  -4.004
  102    QB   LEU   9           QB       LEU   9   4.666   4.048  -4.621
  103    QD1  LEU   9           QD1      LEU   9   1.262   3.825  -4.062
  104    QD2  LEU   9           QD2      LEU   9   2.953   6.257  -5.019
  105    QQD  LEU   9           QQD      LEU   9   2.107   5.041  -4.540
  106    NH1  ARG  10           NH2      ARG  10   1.502  -4.477 -10.242
  107    NH2  ARG  10           NH1      ARG  10   1.292  -3.348 -12.259
  108    H    ARG  10           HN       ARG  10   1.913   0.969  -5.048
  109    HA   ARG  10           HA       ARG  10   2.353   0.565  -7.966
  110   1HB   ARG  10          2HB       ARG  10   3.215  -1.344  -6.541
  111   2HB   ARG  10          3HB       ARG  10   1.615  -1.474  -5.842
  112   1HG   ARG  10          2HG       ARG  10   1.693  -3.166  -7.515
  113   2HG   ARG  10          3HG       ARG  10   0.729  -1.872  -8.225
  114   1HD   ARG  10          2HD       ARG  10   3.259  -1.160  -9.071
  115   2HD   ARG  10          3HD       ARG  10   3.460  -2.897  -8.963
  116    HE   ARG  10           HE       ARG  10   2.026  -1.367 -10.930
  117   1HH1  ARG  10          2HH2      ARG  10   1.471  -4.417  -9.231
  118   2HH1  ARG  10          1HH2      ARG  10   1.208  -5.343 -10.662
  119   1HH2  ARG  10          2HH1      ARG  10   1.379  -2.507 -12.809
  120   2HH2  ARG  10          1HH1      ARG  10   0.958  -4.183 -12.716
  121    QB   ARG  10           QB       ARG  10   2.415  -1.409  -6.191
  122    QG   ARG  10           QG       ARG  10   1.211  -2.519  -7.870
  123    QD   ARG  10           QD       ARG  10   3.360  -2.029  -9.017
  124    QH1  ARG  10           QH2      ARG  10   1.340  -4.880  -9.946
  125    QH2  ARG  10           QH1      ARG  10   1.169  -3.345 -12.762
  126    H    ILE  11           HN       ILE  11   0.856   2.361  -8.003
  127    HA   ILE  11           HA       ILE  11  -1.762   2.289  -6.872
  128    HB   ILE  11           HB       ILE  11  -0.721   3.729  -9.349
  129   1HG1  ILE  11          2HG1      ILE  11  -1.064   4.623  -6.451
  130   2HG1  ILE  11          3HG1      ILE  11   0.477   4.307  -7.257
  131   1HG2  ILE  11          2HG2      ILE  11  -3.284   4.092  -7.740
  132   2HG2  ILE  11          3HG2      ILE  11  -2.718   5.224  -8.980
  133   3HG2  ILE  11          1HG2      ILE  11  -3.171   3.591  -9.431
  134   1HD1  ILE  11          2HD1      ILE  11  -0.090   6.158  -8.894
  135   2HD1  ILE  11          3HD1      ILE  11  -1.439   6.589  -7.808
  136   3HD1  ILE  11          1HD1      ILE  11   0.223   6.650  -7.217
  137    QG1  ILE  11           QG1      ILE  11  -0.293   4.465  -6.854
  138    QG2  ILE  11           QG2      ILE  11  -3.058   4.302  -8.717
  139    QD1  ILE  11           QD1      ILE  11  -0.435   6.465  -7.973
  140    H    GLY  12           HN       GLY  12  -0.386   1.017  -9.869
  141   1HA   GLY  12          1HA       GLY  12  -1.080  -0.813 -11.052
  142   2HA   GLY  12          2HA       GLY  12  -2.625  -0.875 -10.177
  143    QA   GLY  12           QA       GLY  12  -1.853  -0.844 -10.615
  144    HA   PRO  13           HA       PRO  13  -2.720   1.425 -14.338
  145   1HB   PRO  13          2HB       PRO  13  -3.284  -0.409 -16.239
  146   2HB   PRO  13          3HB       PRO  13  -1.656  -0.295 -15.512
  147   1HG   PRO  13          2HG       PRO  13  -3.897  -2.174 -14.686
  148   2HG   PRO  13          3HG       PRO  13  -2.220  -2.614 -15.121
  149   1HD   PRO  13          2HD       PRO  13  -2.996  -2.211 -12.528
  150   2HD   PRO  13          3HD       PRO  13  -1.373  -1.725 -13.103
  151    QB   PRO  13           QB       PRO  13  -2.470  -0.352 -15.875
  152    QG   PRO  13           QG       PRO  13  -3.059  -2.394 -14.903
  153    QD   PRO  13           QD       PRO  13  -2.184  -1.968 -12.816
  154    H    CYS  14           HN       CYS  14  -5.171   0.030 -12.341
  155    HA   CYS  14           HA       CYS  14  -7.283   0.322 -14.348
  156   1HB   CYS  14          2HB       CYS  14  -7.105  -0.429 -11.493
  157   2HB   CYS  14          3HB       CYS  14  -8.507   0.467 -11.992
  158    QB   CYS  14           QB       CYS  14  -7.806   0.019 -11.742
  159    H    LYS  15           HN       LYS  15  -9.036   1.898 -13.919
  160    HA   LYS  15           HA       LYS  15  -7.736   4.586 -13.717
  161   1HB   LYS  15          2HB       LYS  15  -8.579   3.569 -15.968
  162   2HB   LYS  15          3HB       LYS  15 -10.195   3.977 -15.371
  163   1HG   LYS  15          2HG       LYS  15  -9.286   6.353 -14.998
  164   2HG   LYS  15          3HG       LYS  15  -7.805   5.814 -15.833
  165   1HD   LYS  15          2HD       LYS  15  -9.365   5.072 -17.764
  166   2HD   LYS  15          3HD       LYS  15 -10.636   6.000 -16.967
  167   1HE   LYS  15          2HE       LYS  15  -7.966   7.025 -18.072
  168   2HE   LYS  15          3HE       LYS  15  -9.573   7.320 -18.747
  169   1HZ   LYS  15          1HZ       LYS  15 -10.109   8.556 -16.741
  170   2HZ   LYS  15          2HZ       LYS  15  -8.593   8.304 -16.148
  171   3HZ   LYS  15          3HZ       LYS  15  -8.804   9.199 -17.508
  172    QB   LYS  15           QB       LYS  15  -9.387   3.773 -15.669
  173    QG   LYS  15           QG       LYS  15  -8.546   6.084 -15.416
  174    QD   LYS  15           QD       LYS  15 -10.000   5.536 -17.365
  175    QE   LYS  15           QE       LYS  15  -8.770   7.173 -18.410
  176    QZ   LYS  15           QZ       LYS  15  -9.169   8.686 -16.799
  177    NH1  ARG  16           NH2      ARG  16 -10.832  -2.510 -10.941
  178    NH2  ARG  16           NH1      ARG  16 -12.859  -2.637  -9.831
  179    H    ARG  16           HN       ARG  16  -8.483   3.494 -11.473
  180    HA   ARG  16           HA       ARG  16 -11.118   4.562 -10.602
  181   1HB   ARG  16          2HB       ARG  16  -9.529   2.119  -9.868
  182   2HB   ARG  16          3HB       ARG  16 -10.955   2.592  -8.934
  183   1HG   ARG  16          2HG       ARG  16 -12.437   1.961 -10.638
  184   2HG   ARG  16          3HG       ARG  16 -11.265   2.283 -11.892
  185   1HD   ARG  16          2HD       ARG  16 -10.931   0.091 -12.079
  186   2HD   ARG  16          3HD       ARG  16 -10.059   0.154 -10.524
  187    HE   ARG  16           HE       ARG  16 -12.793  -0.120  -9.963
  188   1HH1  ARG  16          2HH2      ARG  16 -10.098  -1.979 -11.398
  189   2HH1  ARG  16          1HH2      ARG  16 -10.748  -3.515 -10.938
  190   1HH2  ARG  16          2HH1      ARG  16 -13.669  -2.194  -9.421
  191   2HH2  ARG  16          1HH1      ARG  16 -12.809  -3.644  -9.812
  192    QB   ARG  16           QB       ARG  16 -10.242   2.356  -9.401
  193    QG   ARG  16           QG       ARG  16 -11.851   2.122 -11.265
  194    QD   ARG  16           QD       ARG  16 -10.495   0.122 -11.302
  195    QH1  ARG  16           QH2      ARG  16 -10.423  -2.747 -11.168
  196    QH2  ARG  16           QH1      ARG  16 -13.239  -2.919  -9.616
  197    H    LYS  17           HN       LYS  17 -10.965   4.769  -8.067
  198    HA   LYS  17           HA       LYS  17  -8.372   5.826  -7.119
  199   1HB   LYS  17          2HB       LYS  17  -9.309   7.588  -8.586
  200   2HB   LYS  17          3HB       LYS  17 -10.789   7.606  -7.634
  201   1HG   LYS  17          2HG       LYS  17  -8.458   7.963  -5.921
  202   2HG   LYS  17          3HG       LYS  17  -8.373   9.100  -7.270
  203   1HD   LYS  17          2HD       LYS  17 -10.863   9.645  -6.690
  204   2HD   LYS  17          3HD       LYS  17 -10.561   8.792  -5.175
  205   1HE   LYS  17          2HE       LYS  17  -9.232  11.348  -6.223
  206   2HE   LYS  17          3HE       LYS  17 -10.339  11.182  -4.853
  207   1HZ   LYS  17          2HZ       LYS  17  -8.399   9.638  -3.960
  208   2HZ   LYS  17          3HZ       LYS  17  -7.504  10.387  -5.015
  209   3HZ   LYS  17          1HZ       LYS  17  -8.245  11.288  -3.874
  210    QB   LYS  17           QB       LYS  17 -10.049   7.597  -8.110
  211    QG   LYS  17           QG       LYS  17  -8.416   8.532  -6.595
  212    QD   LYS  17           QD       LYS  17 -10.712   9.218  -5.933
  213    QE   LYS  17           QE       LYS  17  -9.785  11.265  -5.538
  214    QZ   LYS  17           QZ       LYS  17  -8.050  10.438  -4.283
  215    H    ILE  18           HN       ILE  18  -8.533   4.371  -5.410
  216    HA   ILE  18           HA       ILE  18 -10.850   4.631  -3.555
  217    HB   ILE  18           HB       ILE  18  -9.157   2.177  -4.111
  218   1HG1  ILE  18          2HG1      ILE  18 -11.962   2.867  -5.099
  219   2HG1  ILE  18          3HG1      ILE  18 -10.504   2.723  -6.094
  220   1HG2  ILE  18          3HG2      ILE  18 -10.167   2.346  -1.807
  221   2HG2  ILE  18          1HG2      ILE  18 -11.767   2.494  -2.560
  222   3HG2  ILE  18          2HG2      ILE  18 -10.811   1.008  -2.741
  223   1HD1  ILE  18          2HD1      ILE  18 -10.266   0.339  -5.355
  224   2HD1  ILE  18          3HD1      ILE  18 -11.881   0.464  -4.612
  225   3HD1  ILE  18          1HD1      ILE  18 -11.691   0.688  -6.357
  226    QG1  ILE  18           QG1      ILE  18 -11.233   2.795  -5.597
  227    QG2  ILE  18           QG2      ILE  18 -10.915   1.950  -2.369
  228    QD1  ILE  18           QD1      ILE  18 -11.279   0.497  -5.441
  229    HA   PRO  19           HA       PRO  19  -7.317   6.150  -1.145
  230   1HB   PRO  19          2HB       PRO  19  -8.556   6.575   1.281
  231   2HB   PRO  19          3HB       PRO  19  -8.675   7.674  -0.123
  232   1HG   PRO  19          2HG       PRO  19 -10.626   5.518   0.714
  233   2HG   PRO  19          3HG       PRO  19 -10.993   7.209   0.260
  234   1HD   PRO  19          2HD       PRO  19 -11.259   5.170  -1.485
  235   2HD   PRO  19          3HD       PRO  19 -10.610   6.740  -2.055
  236    QB   PRO  19           QB       PRO  19  -8.615   7.125   0.579
  237    QG   PRO  19           QG       PRO  19 -10.810   6.364   0.487
  238    QD   PRO  19           QD       PRO  19 -10.935   5.955  -1.770
  239    H    SER  20           HN       SER  20  -5.764   4.796  -0.366
  240    HA   SER  20           HA       SER  20  -6.459   2.671   1.557
  241   1HB   SER  20          2HB       SER  20  -4.611   1.976  -0.754
  242   2HB   SER  20          3HB       SER  20  -5.424   0.885   0.351
  243    HG   SER  20           HG       SER  20  -6.834   2.536  -1.455
  244    QB   SER  20           QB       SER  20  -5.018   1.430  -0.201
  245    H    PHE  21           HN       PHE  21  -4.278   1.689   2.246
  246    HA   PHE  21           HA       PHE  21  -2.112   3.728   2.395
  247   1HB   PHE  21          2HB       PHE  21  -3.155   1.900   4.588
  248   2HB   PHE  21          3HB       PHE  21  -1.627   2.764   4.691
  249    HD1  PHE  21          2HD       PHE  21  -5.324   3.128   4.602
  250    HD2  PHE  21          1HD       PHE  21  -1.567   5.157   5.146
  251    HE1  PHE  21          2HE       PHE  21  -6.511   5.051   5.605
  252    HE2  PHE  21          1HE       PHE  21  -2.754   7.077   6.183
  253    HZ   PHE  21           HZ       PHE  21  -5.227   7.032   6.404
  254    QB   PHE  21           QB       PHE  21  -2.391   2.332   4.640
  255    QR   PHE  21           QR       PHE  21  -4.039   5.103   5.384
  256    OH   TYR  22           OH       TYR  22   4.172   5.270  -1.604
  257    H    TYR  22           HN       TYR  22   0.007   2.836   2.209
  258    HA   TYR  22           HA       TYR  22   0.301  -0.081   1.921
  259   1HB   TYR  22          2HB       TYR  22   1.441   0.032  -0.059
  260   2HB   TYR  22          3HB       TYR  22   0.021   0.979  -0.433
  261    HD1  TYR  22           HD2      TYR  22   0.423   3.643   0.294
  262    HD2  TYR  22           HD1      TYR  22   3.458   0.824  -0.913
  263    HE1  TYR  22           HE2      TYR  22   1.801   5.496  -0.507
  264    HE2  TYR  22           HE1      TYR  22   4.875   2.707  -1.674
  265    HH   TYR  22           HH       TYR  22   3.709   6.103  -1.482
  266    QB   TYR  22           QB       TYR  22   0.731   0.505  -0.246
  267    QR   TYR  22           QR       TYR  22   2.639   3.168  -0.700
  268    OH   TYR  23           OH       TYR  23   8.987   0.080   7.367
  269    H    TYR  23           HN       TYR  23   2.717  -0.549   1.963
  270    HA   TYR  23           HA       TYR  23   4.109   1.342   3.806
  271   1HB   TYR  23          2HB       TYR  23   3.669  -1.028   4.514
  272   2HB   TYR  23          3HB       TYR  23   4.764  -1.548   3.244
  273    HD1  TYR  23           HD1      TYR  23   7.187  -0.759   3.295
  274    HD2  TYR  23           HD2      TYR  23   4.529  -0.436   6.649
  275    HE1  TYR  23           HE1      TYR  23   9.118  -0.477   4.832
  276    HE2  TYR  23           HE2      TYR  23   6.437   0.109   8.123
  277    HH   TYR  23           HH       TYR  23   8.779   0.518   8.196
  278    QB   TYR  23           QB       TYR  23   4.217  -1.288   3.879
  279    QR   TYR  23           QR       TYR  23   6.818  -0.391   5.725
  280    H    LYS  24           HN       LYS  24   5.422   2.757   2.707
  281    HA   LYS  24           HA       LYS  24   6.548   1.921   0.085
  282   1HB   LYS  24          2HB       LYS  24   5.705   4.158   0.299
  283   2HB   LYS  24          3HB       LYS  24   6.795   4.521   1.635
  284   1HG   LYS  24          2HG       LYS  24   8.673   4.613   0.250
  285   2HG   LYS  24          3HG       LYS  24   7.972   3.552  -0.988
  286   1HD   LYS  24          2HD       LYS  24   6.564   5.244  -1.826
  287   2HD   LYS  24          3HD       LYS  24   6.834   6.305  -0.426
  288   1HE   LYS  24          2HE       LYS  24   9.195   6.624  -1.126
  289   2HE   LYS  24          3HE       LYS  24   8.944   5.536  -2.504
  290   1HZ   LYS  24          3HZ       LYS  24   7.550   8.102  -2.077
  291   2HZ   LYS  24          1HZ       LYS  24   8.774   7.840  -3.139
  292   3HZ   LYS  24          2HZ       LYS  24   7.324   7.097  -3.359
  293    QB   LYS  24           QB       LYS  24   6.250   4.339   0.967
  294    QG   LYS  24           QG       LYS  24   8.322   4.082  -0.369
  295    QD   LYS  24           QD       LYS  24   6.699   5.775  -1.126
  296    QE   LYS  24           QE       LYS  24   9.070   6.080  -1.815
  297    QZ   LYS  24           QZ       LYS  24   7.883   7.680  -2.858
  298    CH2  TRP  25           CH2      TRP  25  11.925  -4.007   5.282
  299    H    TRP  25           HN       TRP  25   7.917   0.212   0.659
  300    HA   TRP  25           HA       TRP  25   9.708   0.100   2.778
  301   1HB   TRP  25          2HB       TRP  25   9.204  -1.709   1.126
  302   2HB   TRP  25          3HB       TRP  25  10.292  -0.932  -0.019
  303    HD1  TRP  25           HD1      TRP  25  12.867  -1.306   0.343
  304    HE1  TRP  25           HE1      TRP  25  14.310  -2.589   2.005
  305    HE3  TRP  25           HE3      TRP  25   9.234  -2.624   3.699
  306    HZ2  TRP  25           HZ2      TRP  25  13.955  -3.965   4.538
  307    HZ3  TRP  25           HZ3      TRP  25   9.825  -3.853   5.758
  308    HH2  TRP  25           HH2      TRP  25  12.177  -4.548   6.182
  309    QB   TRP  25           QB       TRP  25   9.748  -1.320   0.553
  310    H    LYS  26           HN       LYS  26  10.087   1.722  -0.295
  311    HA   LYS  26           HA       LYS  26  12.816   2.404  -0.092
  312   1HB   LYS  26          2HB       LYS  26  10.728   2.722  -1.920
  313   2HB   LYS  26          3HB       LYS  26  11.091   4.383  -1.481
  314   1HG   LYS  26          2HG       LYS  26  13.340   4.198  -2.240
  315   2HG   LYS  26          3HG       LYS  26  13.318   2.436  -2.260
  316   1HD   LYS  26          2HD       LYS  26  11.490   4.079  -4.049
  317   2HD   LYS  26          3HD       LYS  26  13.134   3.703  -4.540
  318   1HE   LYS  26          2HE       LYS  26  11.096   1.538  -3.783
  319   2HE   LYS  26          3HE       LYS  26  11.311   2.149  -5.425
  320   1HZ   LYS  26          2HZ       LYS  26  13.427   0.853  -3.838
  321   2HZ   LYS  26          3HZ       LYS  26  12.560   0.157  -5.047
  322   3HZ   LYS  26          1HZ       LYS  26  13.572   1.404  -5.383
  323    QB   LYS  26           QB       LYS  26  10.910   3.553  -1.700
  324    QG   LYS  26           QG       LYS  26  13.329   3.317  -2.250
  325    QD   LYS  26           QD       LYS  26  12.312   3.891  -4.295
  326    QE   LYS  26           QE       LYS  26  11.203   1.844  -4.604
  327    QZ   LYS  26           QZ       LYS  26  13.187   0.805  -4.756
  328    H    ALA  27           HN       ALA  27  10.062   3.724   1.604
  329    HA   ALA  27           HA       ALA  27  11.641   6.020   2.670
  330   1HB   ALA  27          1HB       ALA  27   9.403   6.563   1.762
  331   2HB   ALA  27          2HB       ALA  27   8.669   5.399   2.898
  332   3HB   ALA  27          3HB       ALA  27   9.508   6.834   3.515
  333    QB   ALA  27           QB       ALA  27   9.193   6.265   2.725
  334    H    LYS  28           HN       LYS  28  10.147   2.943   3.442
  335    HA   LYS  28           HA       LYS  28  10.281   1.530   5.161
  336   1HB   LYS  28          2HB       LYS  28  12.116   3.484   6.588
  337   2HB   LYS  28          3HB       LYS  28  11.734   1.856   7.105
  338   1HG   LYS  28          2HG       LYS  28  12.944   0.806   5.491
  339   2HG   LYS  28          3HG       LYS  28  12.780   2.095   4.308
  340   1HD   LYS  28          2HD       LYS  28  14.478   2.442   6.795
  341   2HD   LYS  28          3HD       LYS  28  15.091   1.749   5.277
  342   1HE   LYS  28          2HE       LYS  28  14.334   3.804   4.037
  343   2HE   LYS  28          3HE       LYS  28  13.848   4.535   5.574
  344   1HZ   LYS  28          2HZ       LYS  28  16.590   3.731   4.876
  345   2HZ   LYS  28          3HZ       LYS  28  15.993   5.262   4.862
  346   3HZ   LYS  28          1HZ       LYS  28  16.120   4.449   6.286
  347    QB   LYS  28           QB       LYS  28  11.925   2.670   6.847
  348    QG   LYS  28           QG       LYS  28  12.862   1.451   4.900
  349    QD   LYS  28           QD       LYS  28  14.784   2.096   6.036
  350    QE   LYS  28           QE       LYS  28  14.091   4.170   4.806
  351    QZ   LYS  28           QZ       LYS  28  16.234   4.481   5.341
  352    H    GLN  29           HN       GLN  29   8.078   3.209   4.778
  353    HA   GLN  29           HA       GLN  29   6.918   2.959   7.403
  354   1HB   GLN  29          2HB       GLN  29   7.650   5.698   6.369
  355   2HB   GLN  29          3HB       GLN  29   6.021   5.514   7.000
  356   1HG   GLN  29          2HG       GLN  29   7.155   4.388   9.080
  357   2HG   GLN  29          3HG       GLN  29   8.608   5.225   8.514
  358   1HE2  GLN  29          2HE2      GLN  29   7.158   8.511   9.095
  359   2HE2  GLN  29          1HE2      GLN  29   8.243   7.655   8.013
  360    QB   GLN  29           QB       GLN  29   6.836   5.606   6.685
  361    QG   GLN  29           QG       GLN  29   7.881   4.807   8.797
  362    QE2  GLN  29           QE2      GLN  29   7.700   8.083   8.554
  363    H    CYS  30           HN       CYS  30   4.695   3.582   7.480
  364    HA   CYS  30           HA       CYS  30   3.162   2.646   5.172
  365   1HB   CYS  30          2HB       CYS  30   2.392   3.527   7.968
  366   2HB   CYS  30          3HB       CYS  30   1.270   2.868   6.774
  367    QB   CYS  30           QB       CYS  30   1.831   3.197   7.371
  368    H    LEU  31           HN       LEU  31   1.966   3.951   3.853
  369    HA   LEU  31           HA       LEU  31   1.655   6.830   4.503
  370   1HB   LEU  31          2HB       LEU  31   2.637   5.658   1.868
  371   2HB   LEU  31          3HB       LEU  31   2.349   7.371   2.168
  372    HG   LEU  31           HG       LEU  31   4.526   5.652   3.448
  373   1HD1  LEU  31          2HD1      LEU  31   4.806   6.138   1.024
  374   2HD1  LEU  31          3HD1      LEU  31   4.676   7.876   1.363
  375   3HD1  LEU  31          1HD1      LEU  31   6.041   6.942   2.024
  376   1HD2  LEU  31          3HD2      LEU  31   4.052   8.665   3.623
  377   2HD2  LEU  31          1HD2      LEU  31   3.832   7.532   4.960
  378   3HD2  LEU  31          2HD2      LEU  31   5.442   7.776   4.287
  379    QB   LEU  31           QB       LEU  31   2.493   6.515   2.018
  380    QD1  LEU  31           QD1      LEU  31   5.174   6.985   1.471
  381    QD2  LEU  31           QD2      LEU  31   4.442   7.991   4.290
  382    QQD  LEU  31           QQD      LEU  31   4.808   7.488   2.880
  383    HA   PRO  32           HA       PRO  32  -2.370   5.989   2.568
  384   1HB   PRO  32          2HB       PRO  32  -3.235   8.515   2.098
  385   2HB   PRO  32          3HB       PRO  32  -3.076   7.892   3.759
  386   1HG   PRO  32          2HG       PRO  32  -1.077   9.570   2.214
  387   2HG   PRO  32          3HG       PRO  32  -1.701   9.868   3.863
  388   1HD   PRO  32          2HD       PRO  32   0.674   8.612   3.397
  389   2HD   PRO  32          3HD       PRO  32  -0.376   8.119   4.760
  390    QB   PRO  32           QB       PRO  32  -3.156   8.204   2.929
  391    QG   PRO  32           QG       PRO  32  -1.389   9.719   3.038
  392    QD   PRO  32           QD       PRO  32   0.149   8.365   4.079
  393    H    PHE  33           HN       PHE  33  -3.342   6.180   0.397
  394    HA   PHE  33           HA       PHE  33  -2.332   7.912  -1.607
  395   1HB   PHE  33          2HB       PHE  33  -1.294   6.422  -3.119
  396   2HB   PHE  33          3HB       PHE  33  -0.450   6.174  -1.615
  397    HD1  PHE  33          2HD       PHE  33  -1.769   4.226  -0.053
  398    HD2  PHE  33          1HD       PHE  33  -1.803   4.524  -4.347
  399    HE1  PHE  33          2HE       PHE  33  -2.221   1.800  -0.235
  400    HE2  PHE  33          1HE       PHE  33  -2.232   2.125  -4.517
  401    HZ   PHE  33           HZ       PHE  33  -2.354   0.712  -2.398
  402    QB   PHE  33           QB       PHE  33  -0.872   6.298  -2.367
  403    QR   PHE  33           QR       PHE  33  -2.006   3.169  -2.288
  404    H    ASP  34           HN       ASP  34  -3.335   7.024  -3.869
  405    HA   ASP  34           HA       ASP  34  -6.087   5.998  -3.339
  406   1HB   ASP  34          2HB       ASP  34  -4.773   7.528  -5.636
  407   2HB   ASP  34          3HB       ASP  34  -6.341   6.737  -5.756
  408    QB   ASP  34           QB       ASP  34  -5.557   7.133  -5.696
  409    OH   TYR  35           OH       TYR  35  -5.239  -3.607  -7.267
  410    H    TYR  35           HN       TYR  35  -6.196   3.803  -3.691
  411    HA   TYR  35           HA       TYR  35  -4.307   2.529  -5.569
  412   1HB   TYR  35          2HB       TYR  35  -5.043   1.280  -3.562
  413   2HB   TYR  35          3HB       TYR  35  -6.721   1.446  -4.064
  414    HD1  TYR  35           HD1      TYR  35  -3.802   0.550  -6.251
  415    HD2  TYR  35           HD2      TYR  35  -7.399  -0.821  -4.377
  416    HE1  TYR  35           HE1      TYR  35  -3.729  -1.481  -7.636
  417    HE2  TYR  35           HE2      TYR  35  -7.029  -3.069  -5.408
  418    HH   TYR  35           HH       TYR  35  -6.083  -4.078  -7.263
  419    QB   TYR  35           QB       TYR  35  -5.882   1.363  -3.813
  420    QR   TYR  35           QR       TYR  35  -5.489  -1.205  -5.918
  421    H    SER  36           HN       SER  36  -5.124   1.541  -7.567
  422    HA   SER  36           HA       SER  36  -7.480   2.870  -8.696
  423   1HB   SER  36          2HB       SER  36  -6.958   1.696 -10.662
  424   2HB   SER  36          3HB       SER  36  -5.508   2.534 -10.109
  425    HG   SER  36           HG       SER  36  -4.601   0.638  -9.537
  426    QB   SER  36           QB       SER  36  -6.233   2.115 -10.386
  427    H    GLY  37           HN       GLY  37  -6.623  -0.566  -8.854
  428   1HA   GLY  37          1HA       GLY  37  -8.634  -1.653  -7.153
  429   2HA   GLY  37          2HA       GLY  37  -9.376  -1.396  -8.732
  430    QA   GLY  37           QA       GLY  37  -9.005  -1.524  -7.942
  431    H    CYS  38           HN       CYS  38  -7.172  -1.933 -10.395
  432    HA   CYS  38           HA       CYS  38  -6.662  -4.834  -9.957
  433   1HB   CYS  38          2HB       CYS  38  -6.565  -5.150 -12.303
  434   2HB   CYS  38          3HB       CYS  38  -8.153  -4.535 -11.878
  435    QB   CYS  38           QB       CYS  38  -7.359  -4.843 -12.091
  436    H    GLY  39           HN       GLY  39  -4.664  -5.587 -10.646
  437   1HA   GLY  39          1HA       GLY  39  -2.415  -5.623 -10.730
  438   2HA   GLY  39          2HA       GLY  39  -2.531  -4.213 -11.774
  439    QA   GLY  39           QA       GLY  39  -2.473  -4.918 -11.252
  440    H    GLY  40           HN       GLY  40  -3.549  -4.262  -8.316
  441   1HA   GLY  40          1HA       GLY  40  -1.386  -2.504  -7.419
  442   2HA   GLY  40          2HA       GLY  40  -2.585  -3.355  -6.452
  443    QA   GLY  40           QA       GLY  40  -1.986  -2.929  -6.935
  444    H    ASN  41           HN       ASN  41  -1.357  -4.411  -4.991
  445    HA   ASN  41           HA       ASN  41  -0.213  -6.920  -5.645
  446   1HB   ASN  41          2HB       ASN  41   1.975  -6.455  -4.706
  447   2HB   ASN  41          3HB       ASN  41   1.742  -5.487  -6.140
  448   1HD2  ASN  41          2HD2      ASN  41   2.930  -2.698  -4.311
  449   2HD2  ASN  41          1HD2      ASN  41   3.171  -3.906  -5.560
  450    QB   ASN  41           QB       ASN  41   1.859  -5.971  -5.423
  451    QD2  ASN  41           QD2      ASN  41   3.051  -3.302  -4.936
  452    H    ALA  42           HN       ALA  42   0.978  -7.454  -3.211
  453    HA   ALA  42           HA       ALA  42  -1.367  -7.448  -1.439
  454   1HB   ALA  42          1HB       ALA  42  -0.013  -9.496  -1.796
  455   2HB   ALA  42          2HB       ALA  42   1.417  -8.673  -1.151
  456   3HB   ALA  42          3HB       ALA  42   0.031  -9.000  -0.095
  457    QB   ALA  42           QB       ALA  42   0.478  -9.056  -1.014
  458    H    ASN  43           HN       ASN  43   0.714  -5.009  -1.901
  459    HA   ASN  43           HA       ASN  43   1.205  -4.416   0.955
  460   1HB   ASN  43          2HB       ASN  43   2.948  -4.141  -0.992
  461   2HB   ASN  43          3HB       ASN  43   2.038  -2.704  -1.424
  462   1HD2  ASN  43          2HD2      ASN  43   4.682  -1.510   0.846
  463   2HD2  ASN  43          1HD2      ASN  43   4.658  -2.278  -0.698
  464    QB   ASN  43           QB       ASN  43   2.493  -3.422  -1.208
  465    QD2  ASN  43           QD2      ASN  43   4.670  -1.894   0.074
  466    NH1  ARG  44           NH2      ARG  44  -2.173  -0.462  -4.608
  467    NH2  ARG  44           NH1      ARG  44  -0.669  -2.141  -4.374
  468    H    ARG  44           HN       ARG  44  -1.304  -4.387   1.095
  469    HA   ARG  44           HA       ARG  44  -2.155  -1.580   0.759
  470   1HB   ARG  44          2HB       ARG  44  -2.817  -3.507  -1.157
  471   2HB   ARG  44          3HB       ARG  44  -4.281  -3.388  -0.193
  472   1HG   ARG  44          2HG       ARG  44  -4.663  -1.167  -0.695
  473   2HG   ARG  44          3HG       ARG  44  -2.959  -0.812  -0.996
  474   1HD   ARG  44          2HD       ARG  44  -4.804  -2.333  -2.842
  475   2HD   ARG  44          3HD       ARG  44  -4.191  -0.727  -3.031
  476    HE   ARG  44           HE       ARG  44  -2.493  -3.241  -3.051
  477   1HH1  ARG  44          2HH2      ARG  44  -3.053  -0.027  -4.390
  478   2HH1  ARG  44          1HH2      ARG  44  -1.580  -0.064  -5.332
  479   1HH2  ARG  44          2HH1      ARG  44  -0.242  -2.866  -3.796
  480   2HH2  ARG  44          1HH1      ARG  44  -0.101  -1.646  -5.046
  481    QB   ARG  44           QB       ARG  44  -3.549  -3.447  -0.675
  482    QG   ARG  44           QG       ARG  44  -3.811  -0.989  -0.846
  483    QD   ARG  44           QD       ARG  44  -4.497  -1.530  -2.936
  484    QH1  ARG  44           QH2      ARG  44  -2.316  -0.045  -4.861
  485    QH2  ARG  44           QH1      ARG  44  -0.172  -2.256  -4.421
  486    H    PHE  45           HN       PHE  45  -3.436  -0.846   2.235
  487    HA   PHE  45           HA       PHE  45  -4.722  -2.550   4.351
  488   1HB   PHE  45          2HB       PHE  45  -2.755  -0.276   4.653
  489   2HB   PHE  45          3HB       PHE  45  -3.499  -1.189   5.935
  490    HD1  PHE  45          2HD       PHE  45  -2.995  -3.874   5.822
  491    HD2  PHE  45          1HD       PHE  45  -0.660  -0.897   3.779
  492    HE1  PHE  45          2HE       PHE  45  -0.966  -5.269   6.114
  493    HE2  PHE  45          1HE       PHE  45   1.349  -2.337   3.965
  494    HZ   PHE  45           HZ       PHE  45   1.237  -4.440   5.288
  495    QB   PHE  45           QB       PHE  45  -3.127  -0.733   5.294
  496    QR   PHE  45           QR       PHE  45  -0.818  -3.094   4.920
  497    H    LYS  46           HN       LYS  46  -6.490  -1.580   5.251
  498    HA   LYS  46           HA       LYS  46  -7.507   0.845   3.839
  499   1HB   LYS  46          2HB       LYS  46  -9.571   0.486   5.120
  500   2HB   LYS  46          3HB       LYS  46  -9.161  -0.834   4.017
  501   1HG   LYS  46          2HG       LYS  46  -8.480  -2.267   5.794
  502   2HG   LYS  46          3HG       LYS  46  -8.338  -0.881   6.902
  503   1HD   LYS  46          2HD       LYS  46 -10.710  -0.614   7.065
  504   2HD   LYS  46          3HD       LYS  46 -10.991  -1.833   5.811
  505   1HE   LYS  46          2HE       LYS  46 -11.356  -2.752   8.109
  506   2HE   LYS  46          3HE       LYS  46 -10.095  -3.607   7.208
  507   1HZ   LYS  46          3HZ       LYS  46  -9.577  -1.568   9.282
  508   2HZ   LYS  46          1HZ       LYS  46  -9.430  -3.192   9.467
  509   3HZ   LYS  46          2HZ       LYS  46  -8.428  -2.379   8.462
  510    QB   LYS  46           QB       LYS  46  -9.366  -0.174   4.569
  511    QG   LYS  46           QG       LYS  46  -8.409  -1.574   6.348
  512    QD   LYS  46           QD       LYS  46 -10.850  -1.224   6.438
  513    QE   LYS  46           QE       LYS  46 -10.726  -3.180   7.659
  514    QZ   LYS  46           QZ       LYS  46  -9.145  -2.380   9.070
  515    H    THR  47           HN       THR  47  -5.796  -0.027   6.815
  516    HA   THR  47           HA       THR  47  -6.185   2.842   7.671
  517    HB   THR  47           HB       THR  47  -6.010   2.235   9.977
  518    HG1  THR  47          1HG       THR  47  -6.232  -0.487   9.233
  519   1HG2  THR  47          3HG2      THR  47  -8.270   2.382   9.008
  520   2HG2  THR  47          1HG2      THR  47  -8.248   0.649   8.644
  521   3HG2  THR  47          2HG2      THR  47  -8.174   1.199  10.328
  522    QG2  THR  47           QG2      THR  47  -8.230   1.410   9.327
  523    H    ILE  48           HN       ILE  48  -4.465   3.775   8.746
  524    HA   ILE  48           HA       ILE  48  -1.828   2.885   7.906
  525    HB   ILE  48           HB       ILE  48  -2.619   5.344   8.403
  526   1HG1  ILE  48          2HG1      ILE  48  -0.399   5.899   9.630
  527   2HG1  ILE  48          3HG1      ILE  48  -0.033   4.171   9.494
  528   1HG2  ILE  48          3HG2      ILE  48  -3.633   4.768  10.630
  529   2HG2  ILE  48          1HG2      ILE  48  -1.977   4.511  11.245
  530   3HG2  ILE  48          2HG2      ILE  48  -2.470   6.108  10.684
  531   1HD1  ILE  48          3HD1      ILE  48  -0.328   4.383   7.009
  532   2HD1  ILE  48          1HD1      ILE  48  -0.634   6.121   7.230
  533   3HD1  ILE  48          2HD1      ILE  48   0.942   5.446   7.663
  534    QG1  ILE  48           QG1      ILE  48  -0.216   5.035   9.562
  535    QG2  ILE  48           QG2      ILE  48  -2.693   5.129  10.853
  536    QD1  ILE  48           QD1      ILE  48  -0.007   5.317   7.301
  537    H    GLU  49           HN       GLU  49  -3.836   2.584  10.859
  538    HA   GLU  49           HA       GLU  49  -1.699   1.537  12.398
  539   1HB   GLU  49          2HB       GLU  49  -4.702   1.616  12.634
  540   2HB   GLU  49          3HB       GLU  49  -3.915   0.303  13.513
  541   1HG   GLU  49          2HG       GLU  49  -4.208   2.329  14.909
  542   2HG   GLU  49          3HG       GLU  49  -2.514   1.843  14.752
  543    QB   GLU  49           QB       GLU  49  -4.308   0.959  13.073
  544    QG   GLU  49           QG       GLU  49  -3.361   2.086  14.831
  545    H    GLU  50           HN       GLU  50  -4.046  -0.199  10.271
  546    HA   GLU  50           HA       GLU  50  -3.059  -2.738  11.199
  547   1HB   GLU  50          2HB       GLU  50  -4.335  -3.747   9.476
  548   2HB   GLU  50          3HB       GLU  50  -5.247  -2.382  10.145
  549   1HG   GLU  50          2HG       GLU  50  -4.278  -1.072   8.128
  550   2HG   GLU  50          3HG       GLU  50  -3.869  -2.673   7.486
  551    QB   GLU  50           QB       GLU  50  -4.791  -3.064   9.810
  552    QG   GLU  50           QG       GLU  50  -4.073  -1.872   7.807
  553    H    CYS  51           HN       CYS  51  -2.112  -0.616   8.452
  554    HA   CYS  51           HA       CYS  51   0.006  -2.234   7.472
  555   1HB   CYS  51          2HB       CYS  51  -0.770  -0.215   6.294
  556   2HB   CYS  51          3HB       CYS  51  -0.145   0.811   7.577
  557    QB   CYS  51           QB       CYS  51  -0.457   0.298   6.935
  558    NH1  ARG  52           NH2      ARG  52   2.057   6.087  12.927
  559    NH2  ARG  52           NH1      ARG  52   2.313   6.225  10.627
  560    H    ARG  52           HN       ARG  52   0.173   0.423   9.944
  561    HA   ARG  52           HA       ARG  52   2.946   0.117  10.436
  562   1HB   ARG  52          2HB       ARG  52   1.314   1.992  11.011
  563   2HB   ARG  52          3HB       ARG  52   0.857   1.060  12.439
  564   1HG   ARG  52          2HG       ARG  52   3.088   1.223  13.340
  565   2HG   ARG  52          3HG       ARG  52   3.762   1.799  11.808
  566   1HD   ARG  52          2HD       ARG  52   1.694   3.320  13.449
  567   2HD   ARG  52          3HD       ARG  52   3.452   3.606  13.511
  568    HE   ARG  52           HE       ARG  52   2.674   3.741  10.803
  569   1HH1  ARG  52          2HH2      ARG  52   1.999   5.518  13.758
  570   2HH1  ARG  52          1HH2      ARG  52   1.866   7.075  13.003
  571   1HH2  ARG  52          2HH1      ARG  52   2.522   5.801   9.734
  572   2HH2  ARG  52          1HH1      ARG  52   2.144   7.221  10.648
  573    QB   ARG  52           QB       ARG  52   1.086   1.526  11.725
  574    QG   ARG  52           QG       ARG  52   3.425   1.511  12.574
  575    QD   ARG  52           QD       ARG  52   2.573   3.463  13.480
  576    QH1  ARG  52           QH2      ARG  52   1.933   6.296  13.381
  577    QH2  ARG  52           QH1      ARG  52   2.333   6.511  10.191
  578    NH1  ARG  53           NH2      ARG  53  -2.313  -1.884  17.544
  579    NH2  ARG  53           NH1      ARG  53  -1.764  -3.923  18.501
  580    H    ARG  53           HN       ARG  53   0.158  -1.487  11.971
  581    HA   ARG  53           HA       ARG  53   1.851  -2.880  13.893
  582   1HB   ARG  53          2HB       ARG  53  -1.049  -3.267  13.098
  583   2HB   ARG  53          3HB       ARG  53  -0.275  -4.046  14.477
  584   1HG   ARG  53          2HG       ARG  53  -0.377  -1.001  14.185
  585   2HG   ARG  53          3HG       ARG  53  -1.694  -1.919  14.892
  586   1HD   ARG  53          2HD       ARG  53   1.201  -1.983  15.881
  587   2HD   ARG  53          3HD       ARG  53  -0.006  -0.887  16.520
  588    HE   ARG  53           HE       ARG  53   0.319  -3.709  17.090
  589   1HH1  ARG  53          2HH2      ARG  53  -2.081  -1.139  16.903
  590   2HH1  ARG  53          1HH2      ARG  53  -3.188  -1.839  18.044
  591   1HH2  ARG  53          2HH1      ARG  53  -1.130  -4.702  18.607
  592   2HH2  ARG  53          1HH1      ARG  53  -2.626  -3.932  19.026
  593    QB   ARG  53           QB       ARG  53  -0.662  -3.656  13.787
  594    QG   ARG  53           QG       ARG  53  -1.035  -1.460  14.538
  595    QD   ARG  53           QD       ARG  53   0.598  -1.435  16.201
  596    QH1  ARG  53           QH2      ARG  53  -2.634  -1.489  17.473
  597    QH2  ARG  53           QH1      ARG  53  -1.878  -4.317  18.816
  598    H    THR  54           HN       THR  54   0.831  -3.545  10.568
  599    HA   THR  54           HA       THR  54   1.478  -6.375  10.721
  600    HB   THR  54           HB       THR  54   1.265  -4.469   8.349
  601    HG1  THR  54          1HG       THR  54  -0.647  -4.910   9.490
  602   1HG2  THR  54          2HG2      THR  54   1.526  -7.506   8.423
  603   2HG2  THR  54          3HG2      THR  54   1.121  -6.531   6.998
  604   3HG2  THR  54          1HG2      THR  54   2.719  -6.379   7.737
  605    QG2  THR  54           QG2      THR  54   1.789  -6.805   7.719
  606    H    CYS  55           HN       CYS  55   3.244  -3.479   9.449
  607    HA   CYS  55           HA       CYS  55   5.587  -5.278   9.107
  608   1HB   CYS  55          2HB       CYS  55   5.116  -2.509   8.044
  609   2HB   CYS  55          3HB       CYS  55   6.621  -3.422   7.910
  610    QB   CYS  55           QB       CYS  55   5.869  -2.965   7.977
  611    H    VAL  56           HN       VAL  56   4.653  -2.565  11.117
  612    HA   VAL  56           HA       VAL  56   7.365  -2.386  12.316
  613    HB   VAL  56           HB       VAL  56   5.109  -0.349  12.577
  614   1HG1  VAL  56          3HG1      VAL  56   8.118  -0.162  12.986
  615   2HG1  VAL  56          1HG1      VAL  56   7.010   1.222  12.980
  616   3HG1  VAL  56          2HG1      VAL  56   6.852   0.001  14.227
  617   1HG2  VAL  56          3HG2      VAL  56   7.269  -0.429  10.445
  618   2HG2  VAL  56          1HG2      VAL  56   5.503  -0.473  10.196
  619   3HG2  VAL  56          2HG2      VAL  56   6.261   0.988  10.821
  620    QG1  VAL  56           QG1      VAL  56   7.327   0.353  13.398
  621    QG2  VAL  56           QG2      VAL  56   6.344   0.029  10.487
  622    QQG  VAL  56           QQG      VAL  56   6.836   0.191  11.943
  623    H    GLY  57           HN       GLY  57   7.121  -1.886  14.803
  624   1HA   GLY  57          1HA       GLY  57   5.090  -2.402  16.491
  625   2HA   GLY  57          2HA       GLY  57   5.648  -4.029  16.008
  626    QA   GLY  57           QA       GLY  57   5.369  -3.215  16.250