*HEADER    PROTEINASE INHIBITOR                    16-AUG-94   1TAP      
*COMPND    FACTOR XA INHIBITOR (NMR, 20 STRUCTURES)                      
*SOURCE    TICK (ORNITHODOROS MOUBATA)                                   
*EXPDTA    NMR                                                           
*AUTHOR    W.ANTUCH,P.GUNTERT,M.BILLETER,K.WUTHRICH                      
*REVDAT   1   12-OCT-04 1TAP    0   

REMARK   1                                                              1TAP   7
REMARK   1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION   1TAP   8
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF TICK ANTICOAGULANT     1TAP   9
REMARK   1 PROTEIN BY NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY IN        1TAP  10
REMARK   1 SOLUTION.                                                    1TAP  11
REMARK   1 THE DIFFERENT KINDS OF DATA, TOGETHER WITH THE CORRESPONDING 1TAP  12
REMARK   1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. SEE     1TAP  13
REMARK   1 REMARK 2 FOR THE DETAILS.                                    1TAP  14
REMARK   1                                                              1TAP  15
REMARK   1 RECORD CONTENT                                     UNIT      1TAP  16
REMARK   1 ------ ------------------------------------------- --------- 1TAP  17
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM       1TAP  18
REMARK   1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS     HERTZ     1TAP  19
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1TAP  20
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            1TAP  21
REMARK   1 SSUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1TAP  22
REMARK   1        FOR DISULPHIDE BRIDGES                                1TAP  23
REMARK   1 SSLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 1TAP  24
REMARK   1        FOR DISULPHIDE BRIDGES                                1TAP  25
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES   1TAP  26
REMARK   1        AN ALLOWED INTERVAL                                   1TAP  27
REMARK   1                                                              1TAP  28
REMARK   1 ALL EXPERIMENTAL INPUT DATA (EXCEPT FOR THE AMINO ACID       1TAP  29
REMARK   1 SEQUENCE) FOR THE DISTANCE GEOMETRY CALCULATIONS WITH THE    1TAP  30
REMARK   1 PROGRAM DIANA AND REFINEMENT WITH AMBER IS GIVEN IN THE      1TAP  31
REMARK   1 RECORDS NOEUPP, SSUPP, SSLOW AND ANGLE.                      1TAP  32
REMARK   2                                                              1TAP  33
REMARK   2                                                              1TAP  34
REMARK   2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE        1TAP  35
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE     1TAP  36
REMARK   2 MASTER RECORD.                                               1TAP  37
REMARK   2                                                              1TAP  38
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                             1TAP  39
REMARK   2 ------ ----------------------------------------------------- 1TAP  40
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL     1TAP  41
REMARK   2        SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,    1TAP  42
REMARK   2        CHEMICAL SHIFT(S)                                     1TAP  43
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X))                 1TAP  44
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM   1TAP  45
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      1TAP  46
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      1TAP  47
REMARK   2        NAME, J-COUPLING CONSTANT                             1TAP  48
REMARK   2        ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X))            1TAP  49
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  1TAP  50
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1TAP  51
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM    1TAP  52
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     1TAP  53
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                1TAP  54
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))   1TAP  55
REMARK   2 SSUPP  SIMILAR TO NOEUPP                                     1TAP  56
REMARK   2 SSLOW  SIMILAR TO NOEUPP                                     1TAP  57
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND   1TAP  58
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND        1TAP  59
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                  1TAP  60
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS,   1TAP  61
REMARK   2        NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS,   1TAP  62
REMARK   2        NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF  1TAP  63
REMARK   2        NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE      1TAP  64
REMARK   2        RECORDS                                               1TAP  65
REMARK   2        ('MASTER',4X,7I5)                                     1TAP  66
REMARK   3                                                              1TAP  67
REMARK   3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS  1TAP  68
REMARK   3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY     1TAP  69
REMARK   3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE         1TAP  70
REMARK   3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM  1TAP  71
REMARK   3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE   1TAP  72
REMARK   3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER    1TAP  73
REMARK   3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES.            1TAP  74
REMARK   3 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE           1TAP  75
REMARK   3 COORDINATE FILE 1TAP.                                        1TAP  76
REMARK   4                                                              1TAP  77
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE     1TAP  78
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                1TAP  79
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)    1TAP  80
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL     1TAP  81
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR     1TAP  82
REMARK   4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED.       1TAP  83
REMARK   4 FOR ALL METHYLENE GROUPS, EVEN IN CASE OF IDENTICAL SHIFTS,  1TAP  84
REMARK   4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS.          1TAP  85
REMARK   4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO        1TAP  86
REMARK   4 METHYLS IN THE ISOPROPYL GROUPS.                             1TAP  87
REMARK   5                                                              1TAP  88
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE         1TAP  89
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN         1TAP  90
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...         1TAP  91
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF    1TAP  92
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS  1TAP  93
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE      1TAP  94
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED.                                1TAP  95
REMARK   5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN       1TAP  96
REMARK   5 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPEC- 1TAP  97
REMARK   5 TIVELY. QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON      1TAP  98
REMARK   5 HYDROGENS OF THE AROMATIC RINGS OF TYR AND PHE. WHERE THE    1TAP  99
REMARK   5 DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS HAVE BEEN  1TAP 100
REMARK   5 INDIVIDUALLY IDENTIFIED BUT ARE DEGENERATE IN THE ONE AND    1TAP 101
REMARK   5 TWO POSITIONS, THE CHEMICAL SHIFTS WERE LISTED UNDER CG AND  1TAP 102
REMARK   5 CZ RESPECTIVELY.                                             1TAP 103
SHIFTS  TYR    1   HA   4.24         QB   3.11         CG   7.05        1TAP 104
SHIFTS  TYR    1   CZ   6.75                                            1TAP 105
SHIFTS  ASN    2   HN   8.42         HA   4.67        2HB   2.77        1TAP 106
SHIFTS  ASN    2  3HB   2.92        1HD2  6.93        2HD2  7.54        1TAP 107
SHIFTS  ARG+   3   HN   8.40         HA   4.09        2HB   1.40        1TAP 108
SHIFTS  ARG+   3  3HB   1.49        2HG   1.41        2HD   2.80        1TAP 109
SHIFTS  ARG+   3  3HD   2.88         HE   6.99                          1TAP 110
SHIFTS  LEU    4   HN   8.20         HA   4.33        2HB   1.42        1TAP 111
SHIFTS  LEU    4  3HB   1.75         HG   1.64         QD1  0.66        1TAP 112
SHIFTS  LEU    4   QD2  0.71                                            1TAP 113
SHIFTS  CYSS   5   HN   8.18         HA   4.85        2HB   2.87        1TAP 114
SHIFTS  CYSS   5  3HB   3.08                                            1TAP 115
SHIFTS  ILE    6   HN   7.43         HA   4.33         HB   1.72        1TAP 116
SHIFTS  ILE    6   QG2  0.71        2HG2  0.00        2HG1  1.40        1TAP 117
SHIFTS  ILE    6  3HG1  1.10         QD1  0.75                          1TAP 118
SHIFTS  LYS+   7   HN   8.23         HA   2.22        2HB   0.34        1TAP 119
SHIFTS  LYS+   7  3HB   0.96        2HG  -0.12        3HG   0.60        1TAP 120
SHIFTS  LYS+   7  2HD   0.52        3HD   0.60        2HE   2.10        1TAP 121
SHIFTS  LYS+   7  3HE   2.21                                            1TAP 122
SHIFTS  PRO    8   HA   4.04        2HB   1.24        3HB   2.08        1TAP 123
SHIFTS  PRO    8  3HG   1.58        2HD   2.04        3HD   3.22        1TAP 124
SHIFTS  ARG+   9   HN   8.32         HA   3.85         QB   1.70        1TAP 125
SHIFTS  ARG+   9  2HG   1.58        2HD   3.11         HE   7.08        1TAP 126
SHIFTS  ASP-  10   HN   8.13         HA   4.55        2HB   2.73        1TAP 127
SHIFTS  ASP-  10  3HB   2.85                                            1TAP 128
SHIFTS  TRP   11   HN   7.32         HA   4.47        2HB   2.87        1TAP 129
SHIFTS  TRP   11  3HB   2.94         HD1  6.86         HE3  7.08        1TAP 130
SHIFTS  TRP   11   HE1  9.92         HZ3  6.80         HZ2  7.31        1TAP 131
SHIFTS  TRP   11   HH2  6.75                                            1TAP 132
SHIFTS  ILE   12   HN   7.90         HA   4.27         HB   1.65        1TAP 133
SHIFTS  ILE   12   QG2  0.81        2HG1  1.29        3HG1  1.11        1TAP 134
SHIFTS  ILE   12   QD1  0.75                                            1TAP 135
SHIFTS  ASP-  13   HN   8.55         HA   4.89        2HB   2.83        1TAP 136
SHIFTS  ASP-  13  3HB   2.88                                            1TAP 137
SHIFTS  GLU-  14   HN   7.79         HA   4.64        2HB   2.00        1TAP 138
SHIFTS  GLU-  14  3HB   1.86        2HG   2.13        3HG   2.31        1TAP 139
SHIFTS  CYSS  15   HN   7.94         HA   4.75        2HB   3.04        1TAP 140
SHIFTS  CYSS  15  3HB   2.99                                            1TAP 141
SHIFTS  ASP-  16   HN   8.13         HA   4.19        2HB   2.60        1TAP 142
SHIFTS  ASP-  16  3HB   2.65                                            1TAP 143
SHIFTS  SER   17   HN   7.90         HA   3.90        2HB   3.59        1TAP 144
SHIFTS  SER   17  3HB   3.45                                            1TAP 145
SHIFTS  ASN   18   HN   8.03         HA   4.52         QB   2.70        1TAP 146
SHIFTS  ASN   18  1HD2  6.77        2HD2  7.42                          1TAP 147
SHIFTS  GLU-  19   HN   7.77         HA   4.29        2HB   2.12        1TAP 148
SHIFTS  GLU-  19  3HB   1.83        2HG   2.32                          1TAP 149
SHIFTS  GLY   20   HN   7.88        1HA   3.81        2HA   3.99        1TAP 150
SHIFTS  GLY   21   HN   7.94        1HA   3.89        2HA   4.17        1TAP 151
SHIFTS  GLU-  22   HN   8.23         HA   4.57        2HB   1.88        1TAP 152
SHIFTS  GLU-  22  3HB   2.06        2HG   2.36                          1TAP 153
SHIFTS  ARG+  23   HN   8.19         HA   4.28        2HB   0.87        1TAP 154
SHIFTS  ARG+  23  3HB   1.15        2HG   0.69        3HG   0.78        1TAP 155
SHIFTS  ARG+  23  2HD   2.62        3HD   2.70         HE   6.76        1TAP 156
SHIFTS  ARG+  23   QH1  6.40                                            1TAP 157
SHIFTS  ALA   24   HN   8.60         HA   4.86         QB   0.88        1TAP 158
SHIFTS  TYR   25   HN   7.88         HA   5.11        2HB   2.25        1TAP 159
SHIFTS  TYR   25  3HB   2.40         CG   6.54         CZ   6.66        1TAP 160
SHIFTS  PHE   26   HN   8.39         HA   4.99        2HB   2.45        1TAP 161
SHIFTS  PHE   26  3HB   3.29         CG   6.82         CZ   6.63        1TAP 162
SHIFTS  PHE   26   HZ   6.27                                            1TAP 163
SHIFTS  ARG+  27   HN   9.05         HA   4.64         QB   1.76        1TAP 164
SHIFTS  ARG+  27  2HG   1.56        2HD   2.96         HE   7.14        1TAP 165
SHIFTS  ASN   28   HN   8.38         HA   4.97        2HB   3.21        1TAP 166
SHIFTS  ASN   28  3HB   2.62        1HD2  7.14        2HD2  7.66        1TAP 167
SHIFTS  GLY   29   HN   8.53        1HA   3.94        2HA   4.01        1TAP 168
SHIFTS  LYS+  30   HN   8.43         HA   4.58        2HB   1.48        1TAP 169
SHIFTS  LYS+  30  3HB   1.95        2HG   1.24        2HD   1.60        1TAP 170
SHIFTS  LYS+  30  2HE   2.92                                            1TAP 171
SHIFTS  GLY   31   HN   8.28        1HA   3.67        2HA   4.26        1TAP 172
SHIFTS  GLY   32   HN   7.91        1HA   3.94        2HA   4.56        1TAP 173
SHIFTS  CYSS  33   HN   7.30         HA   5.60        2HB   3.21        1TAP 174
SHIFTS  CYSS  33  3HB   2.74                                            1TAP 175
SHIFTS  ASP-  34   HN   9.15         HA   5.13        2HB   2.68        1TAP 176
SHIFTS  ASP-  34  3HB   2.64                                            1TAP 177
SHIFTS  SER   35   HN   8.14         HA   4.51         QB   2.88        1TAP 178
SHIFTS  PHE   36   HN   8.78         HA   4.52        2HB   2.69        1TAP 179
SHIFTS  PHE   36  3HB   3.16         CG   7.20         CZ   7.26        1TAP 180
SHIFTS  PHE   36   HZ   7.17                                            1TAP 181
SHIFTS  TRP   37   HN   8.30         HA   4.70        2HB   2.87        1TAP 182
SHIFTS  TRP   37  3HB   3.28         HD1  7.19         HE3  7.32        1TAP 183
SHIFTS  TRP   37   HE1  9.89         HZ3  6.90         HZ2  7.36        1TAP 184
SHIFTS  TRP   37   HH2  7.13                                            1TAP 185
SHIFTS  ILE   38   HN   8.56         HA   4.29         HB   1.67        1TAP 186
SHIFTS  ILE   38   QG2  0.68        2HG1  0.95        3HG1  1.55        1TAP 187
SHIFTS  ILE   38   QD1  0.55                                            1TAP 188
SHIFTS  CYSS  39   HN   8.32         HA   4.91        2HB   2.54        1TAP 189
SHIFTS  CYSS  39  3HB   3.25                                            1TAP 190
SHIFTS  PRO   40   HA   4.08        2HB   1.87        3HB   2.25        1TAP 191
SHIFTS  PRO   40  2HG   1.97        3HG   2.08        2HD   3.72        1TAP 192
SHIFTS  PRO   40  3HD   3.79                                            1TAP 193
SHIFTS  GLU-  41   HN   8.56         HA   4.06        2HB   1.99        1TAP 194
SHIFTS  GLU-  41  3HB   1.77        2HG   2.35                          1TAP 195
SHIFTS  ASP-  42   HN   7.75         HA   4.49        2HB   2.33        1TAP 196
SHIFTS  ASP-  42  3HB   2.13                                            1TAP 197
SHIFTS  HIS   43   HN   7.77         HA   4.70        2HB   3.14        1TAP 198
SHIFTS  HIS   43  3HB   3.23         HD2  7.14         HE1  8.40        1TAP 199
SHIFTS  THR   44   HN   8.12         HA   4.34         HB   4.31        1TAP 200
SHIFTS  THR   44   QG2  1.20                                            1TAP 201
SHIFTS  GLY   45   HN   8.45        1HA   3.77        2HA   4.01        1TAP 202
SHIFTS  ALA   46   HN   7.70         HA   4.23         QB   1.12        1TAP 203
SHIFTS  ASP-  47   HN   8.06         HA   4.60        2HB   2.61        1TAP 204
SHIFTS  ASP-  47  3HB   2.49                                            1TAP 205
SHIFTS  TYR   48   HN   7.26         HA   4.36        2HB   3.13        1TAP 206
SHIFTS  TYR   48  3HB   2.58         CG   7.11         CZ   6.83        1TAP 207
SHIFTS  TYR   49   HN   9.97         HA   4.55        2HB   2.75        1TAP 208
SHIFTS  TYR   49  3HB   3.06         CG   7.08         CZ   6.50        1TAP 209
SHIFTS  SER   50   HN   9.16         HA   4.92        2HB   4.25        1TAP 210
SHIFTS  SER   50  3HB   3.93                                            1TAP 211
SHIFTS  SER   51   HN   7.37         HA   4.33        2HB   3.87        1TAP 212
SHIFTS  SER   51  3HB   3.76                                            1TAP 213
SHIFTS  TYR   52   HN   8.15         HA   2.85        2HB   2.55        1TAP 214
SHIFTS  TYR   52  3HB   2.64         CG   6.82         CZ   6.77        1TAP 215
SHIFTS  ARG+  53   HN   8.35         HA   3.73        2HB   1.60        1TAP 216
SHIFTS  ARG+  53  3HB   1.82        2HG   1.52        2HD   3.11        1TAP 217
SHIFTS  ARG+  53   HE   7.08                                            1TAP 218
SHIFTS  ASP-  54   HN   7.31         HA   4.23        2HB   2.50        1TAP 219
SHIFTS  ASP-  54  3HB   2.67                                            1TAP 220
SHIFTS  CYSS  55   HN   6.89         HA   3.16        2HB   2.74        1TAP 221
SHIFTS  CYSS  55  3HB   2.67                                            1TAP 222
SHIFTS  PHE   56   HN   8.97         HA   3.50        2HB   2.38        1TAP 223
SHIFTS  PHE   56  3HB   2.76         CG   6.95         CZ   7.38        1TAP 224
SHIFTS  PHE   56   HZ   7.29                                            1TAP 225
SHIFTS  ASN   57   HN   8.06         HA   4.29        2HB   2.69        1TAP 226
SHIFTS  ASN   57  3HB   2.74        1HD2  6.67        2HD2  7.58        1TAP 227
SHIFTS  ALA   58   HN   7.10         HA   4.32         QB   1.22        1TAP 228
SHIFTS  CYSS  59   HN   8.19         HA   4.82         QB   2.87        1TAP 229
SHIFTS  ILE   60   HN   7.11         HA   3.90         HB   1.47        1TAP 230
SHIFTS  ILE   60   QG2  0.58        2HG1  0.82        3HG1  1.00        1TAP 231
SHIFTS  ILE   60   QD1  0.43                                            1TAP 232
JCOUPL  ARG+   3   HN   HA   3.90                                       1TAP 233
JCOUPL  LEU    4   HN   HA   5.30    HA  2HB   3.90    HA  3HB  11.60   1TAP 234
JCOUPL  CYSS   5   HA  2HB   2.50    HA  3HB  11.40                     1TAP 235
JCOUPL  ILE    6   HN   HA   7.30    HA   HB  10.60                     1TAP 236
JCOUPL  LYS+   7   HN   HA   4.90                                       1TAP 237
JCOUPL  ARG+   9   HN   HA   3.20                                       1TAP 238
JCOUPL  ASP-  10   HN   HA   3.50    HA  2HB   4.70                     1TAP 239
JCOUPL  TRP   11   HN   HA   5.70                                       1TAP 240
JCOUPL  ILE   12   HN   HA   9.20                                       1TAP 241
JCOUPL  CYSS  15   HN   HA   7.40                                       1TAP 242
JCOUPL  ASP-  16   HN   HA   6.90                                       1TAP 243
JCOUPL  SER   17   HN   HA   4.90                                       1TAP 244
JCOUPL  GLU-  19   HN   HA   8.10                                       1TAP 245
JCOUPL  GLU-  22   HN   HA   8.30                                       1TAP 246
JCOUPL  ARG+  23   HN   HA   7.30                                       1TAP 247
JCOUPL  ALA   24   HN   HA   9.30                                       1TAP 248
JCOUPL  TYR   25   HN   HA   9.60    HA  2HB  10.30    HA  3HB   2.80   1TAP 249
JCOUPL  PHE   26   HN   HA   9.60    HA  2HB  11.00    HA  3HB   3.80   1TAP 250
JCOUPL  ARG+  27   HN   HA   4.00                                       1TAP 251
JCOUPL  ASN   28   HA  3HB   4.20    HA  2HB   4.10                     1TAP 252
JCOUPL  LYS+  30   HN   HA   9.90    HA  2HB  10.00    HA  3HB   3.90   1TAP 253
JCOUPL  CYSS  33   HN   HA   9.40    HA  3HB   3.10    HA  2HB  11.20   1TAP 254
JCOUPL  ASP-  34   HN   HA   9.90    HA  3HB   9.20    HA  2HB   4.20   1TAP 255
JCOUPL  SER   35   HN   HA   7.70                                       1TAP 256
JCOUPL  PHE   36   HN   HA   9.00                                       1TAP 257
JCOUPL  TRP   37   HN   HA   7.00    HA  2HB  10.80    HA  3HB   4.90   1TAP 258
JCOUPL  CYSS  39   HA  3HB   4.00                                       1TAP 259
JCOUPL  GLU-  41   HN   HA   5.40                                       1TAP 260
JCOUPL  ASP-  42   HA  3HB   4.50    HA  2HB  11.00                     1TAP 261
JCOUPL  HIS   43   HN   HA   5.50                                       1TAP 262
JCOUPL  THR   44   HN   HA   7.80                                       1TAP 263
JCOUPL  ASP-  47   HN   HA   8.10                                       1TAP 264
JCOUPL  TYR   48   HN   HA   7.30    HA  2HB   4.50                     1TAP 265
JCOUPL  TYR   49   HA  2HB   3.60    HA  3HB  11.70                     1TAP 266
JCOUPL  SER   50   HN   HA   8.70    HA  2HB   4.10    HA  3HB   4.00   1TAP 267
JCOUPL  SER   51   HN   HA   8.10    HA  3HB   3.80    HA  2HB   4.00   1TAP 268
JCOUPL  TYR   52   HN   HA   4.70    HA  2HB   5.20    HA  3HB  11.60   1TAP 269
JCOUPL  ARG+  53   HN   HA   3.30                                       1TAP 270
JCOUPL  ASP-  54   HN   HA   4.50    HA  2HB  11.80    HA  3HB   3.10   1TAP 271
JCOUPL  CYSS  55   HN   HA   3.70    HA  3HB  12.50                     1TAP 272
JCOUPL  PHE   56   HN   HA   4.40    HA  2HB   4.80    HA  3HB  11.70   1TAP 273
JCOUPL  ASN   57   HN   HA   4.40                                       1TAP 274
JCOUPL  ALA   58   HN   HA   8.90                                       1TAP 275
JCOUPL  CYSS  59   HN   HA   8.80                                       1TAP 276
JCOUPL  ILE   60   HN   HA   8.40    HA   HB   9.70                     1TAP 277
NOEUPP  TYR    1  HA  ASN    2  HN   2.90      CG  ASN    2  HN   7.40  1TAP 278
NOEUPP  TYR    1  CG  ARG+   3  HA   7.40      CG  ILE    6  QD1  8.50  1TAP 279
NOEUPP  TYR    1  CZ  ILE    6  QG1  7.58      CZ  ILE    6  QD1  8.50  1TAP 280
NOEUPP  ASN    2  HA  ARG+   3  HN   3.60                               1TAP 281
NOEUPP  ARG+   3  HN  ARG+   3 2HB   2.80      HN  ARG+   3 3HB   2.90  1TAP 282
NOEUPP  ARG+   3  HN  LEU    4  HN   4.60      HA  ARG+   3 2HB   2.70  1TAP 283
NOEUPP  ARG+   3  HA  LEU    4  HN   2.80      HA  ILE    6  HN   5.40  1TAP 284
NOEUPP  ARG+   3  HA  ILE    6  HB   4.90      HA  ILE    6  QD1  5.80  1TAP 285
NOEUPP  ARG+   3  QG  ARG+   3  HE   3.75                               1TAP 286
NOEUPP  LEU    4  HN  LEU    4  QB   3.45      HN  LEU    4  HG   2.80  1TAP 287
NOEUPP  LEU    4  HN  LEU    4  QQD  6.87      HA  LEU    4  QB   2.63  1TAP 288
NOEUPP  LEU    4  HA  LEU    4  HG   3.20     2HB  PHE   26  CZ   7.40  1TAP 289
NOEUPP  LEU    4 2HB  TYR   48  CG   6.80     2HB  TYR   49  CZ   5.60  1TAP 290
NOEUPP  LEU    4 3HB  PHE   26  CZ   7.40     3HB  TYR   48  CG   6.80  1TAP 291
NOEUPP  LEU    4 3HB  TYR   49  CZ   5.60      QB  PHE   26  CZ   7.00  1TAP 292
NOEUPP  LEU    4  QB  TYR   48  CG   6.54      QB  TYR   49  HN   6.38  1TAP 293
NOEUPP  LEU    4  QD1 ASP-  47  HN   6.50      QD1 TYR   48  CG   8.50  1TAP 294
NOEUPP  LEU    4  QD1 TYR   48  CZ   7.80      QD1 TYR   49  CZ   8.50  1TAP 295
NOEUPP  LEU    4  QD2 ASP-  47  HN   6.50      QD2 TYR   48  CG   8.50  1TAP 296
NOEUPP  LEU    4  QD2 TYR   48  CZ   7.80      QD2 TYR   49  CZ   8.50  1TAP 297
NOEUPP  LEU    4  QQD ASP-  47  HA   7.37      QQD TYR   48  CG   8.05  1TAP 298
NOEUPP  LEU    4  QQD TYR   48  CZ   7.39                               1TAP 299
NOEUPP  CYSS   5  HN  CYSS   5 2HB   2.70      HN  CYSS   5 3HB   2.70  1TAP 300
NOEUPP  CYSS   5  HN  ILE    6  HN   2.80      HA  CYSS   5 2HB   2.60  1TAP 301
NOEUPP  CYSS   5  HA  ARG+  27  HN   4.10      HA  ARG+  27  QB   5.40  1TAP 302
NOEUPP  CYSS   5  HA  TYR   49  CZ   5.60     2HB  ILE    6  HN   4.30  1TAP 303
NOEUPP  CYSS   5 3HB  ILE    6  HN   3.60     3HB  ARG+  27  HN   5.50  1TAP 304
NOEUPP  ILE    6  HN  ILE    6  HB   2.60      HN  ILE    6 2HG1  3.30  1TAP 305
NOEUPP  ILE    6  HN  ILE    6 3HG1  3.30      HN  ILE    6  QG1  3.08  1TAP 306
NOEUPP  ILE    6  HN  ILE    6  QD1  6.20      HA  ILE    6  QG1  3.54  1TAP 307
NOEUPP  ILE    6  HA  LYS+   7  HN   2.80      HA  ARG+  27  HN   4.30  1TAP 308
NOEUPP  ILE    6  QG2 LYS+   7  HN   3.90      QD1 LYS+   7  HN   6.50  1TAP 309
NOEUPP  ILE    6  QD1 ARG+  27  HN   6.50                               1TAP 310
NOEUPP  LYS+   7  HN  LYS+   7 2HB   2.90      HN  LYS+   7 3HB   2.90  1TAP 311
NOEUPP  LYS+   7  HN  LYS+   7 2HG   5.50      HN  LYS+   7 3HG   5.50  1TAP 312
NOEUPP  LYS+   7  HN  LYS+   7  QG   5.09      HN  PHE   26 2HB   5.10  1TAP 313
NOEUPP  LYS+   7  HN  PHE   26 3HB   3.50      HN  ARG+  27  HN   5.40  1TAP 314
NOEUPP  LYS+   7  HA  PRO    8  QD   3.29      HA  PHE   26  CG   6.20  1TAP 315
NOEUPP  LYS+   7  HA  PHE   26  CZ   6.80     2HB  PHE   26 3HB   5.20  1TAP 316
NOEUPP  LYS+   7 2HB  PHE   26  CG   6.50     3HB  PHE   26 3HB   5.20  1TAP 317
NOEUPP  LYS+   7 3HB  PHE   26  CG   6.50      QB  LYS+   7  QE   5.75  1TAP 318
NOEUPP  LYS+   7  QB  PHE   26 2HB   4.38      QB  PHE   26 3HB   4.39  1TAP 319
NOEUPP  LYS+   7  QB  PHE   26  CG   6.24      QG  TRP   11  HE3  4.98  1TAP 320
NOEUPP  LYS+   7  QG  PHE   26  CG   7.68      QG  PHE   26  CZ   8.38  1TAP 321
NOEUPP  LYS+   7  QG  PHE   26  HZ   6.38      QD  PHE   36  CG   7.28  1TAP 322
NOEUPP  LYS+   7  QD  PHE   36  CZ   7.88     2HE  TRP   11  HD1  4.70  1TAP 323
NOEUPP  LYS+   7 2HE  PHE   36  CG   7.00     2HE  PHE   36  CZ   6.90  1TAP 324
NOEUPP  LYS+   7 3HE  TRP   11  HD1  4.70     3HE  PHE   36  CG   7.00  1TAP 325
NOEUPP  LYS+   7 3HE  PHE   36  CZ   6.90      QE  TRP   11  HD1  4.37  1TAP 326
NOEUPP  LYS+   7  QE  PHE   36  CG   6.70      QE  PHE   36  CZ   6.50  1TAP 327
NOEUPP  LYS+   7  QE  PHE   36  HZ   5.38                               1TAP 328
NOEUPP  PRO    8  HA  ARG+   9  HN   2.40      QB  ARG+   9  HN   4.17  1TAP 329
NOEUPP  ARG+   9  HN  ARG+   9  QB   3.50      HN  ASP-  10  HN   3.20  1TAP 330
NOEUPP  ARG+   9  HA  ARG+   9  QG   3.64      HA  ARG+   9  QD   4.78  1TAP 331
NOEUPP  ARG+   9  HA  ASP-  10  HN   3.20      QB  ASP-  10  HN   4.30  1TAP 332
NOEUPP  ASP-  10  HN  TRP   11  HN   3.10                               1TAP 333
NOEUPP  TRP   11  HN  TRP   11  QB   3.46      HA  TRP   11  HD1  3.30  1TAP 334
NOEUPP  TRP   11  HA  ILE   12  HN   3.30     2HB  TRP   11  HE3  3.20  1TAP 335
NOEUPP  TRP   11 3HB  TRP   11  HE3  3.20      HD1 ASP-  13  HA   4.40  1TAP 336
NOEUPP  TRP   11  HE3 ILE   38  QG2  5.10      HE1 ASP-  13  HA   5.30  1TAP 337
NOEUPP  TRP   11  HE1 ASP-  13  QB   5.58      HE1 PHE   36  QB   4.58  1TAP 338
NOEUPP  TRP   11  HZ3 ALA   24  QB   5.90      HZ3 ILE   38  QG2  5.40  1TAP 339
NOEUPP  TRP   11  HZ3 ILE   38  QG1  4.78      HZ3 ILE   38  QD1  5.00  1TAP 340
NOEUPP  TRP   11  HZ2 ALA   24  QB   4.80      HZ2 PHE   36 2HB   4.50  1TAP 341
NOEUPP  TRP   11  HZ2 PHE   36 3HB   4.50      HZ2 ILE   38  HA   3.20  1TAP 342
NOEUPP  TRP   11  HZ2 ILE   38  QG2  4.90      HZ2 ILE   38 2HG1  4.10  1TAP 343
NOEUPP  TRP   11  HZ2 ILE   38 3HG1  4.10      HZ2 ILE   38  QG1  3.71  1TAP 344
NOEUPP  TRP   11  HZ2 ILE   38  QD1  6.50      HZ2 THR   44  QG2  6.50  1TAP 345
NOEUPP  TRP   11  HZ2 ALA   46  QB   6.50      HH2 ALA   24  QB   4.70  1TAP 346
NOEUPP  TRP   11  HH2 ILE   38  QG2  5.30      HH2 ILE   38  QG1  4.48  1TAP 347
NOEUPP  TRP   11  HH2 ILE   38  QD1  5.40                               1TAP 348
NOEUPP  ILE   12  HN  ILE   12  HB   3.10      HN  ILE   12  QG2  4.90  1TAP 349
NOEUPP  ILE   12  HN  ILE   12 2HG1  3.60      HN  ILE   12 3HG1  3.60  1TAP 350
NOEUPP  ILE   12  HN  ILE   12  QG1  3.29      HN  ILE   12  QD1  6.50  1TAP 351
NOEUPP  ILE   12  HN  ASP-  13  HN   3.40      HA  ILE   12  HB   3.00  1TAP 352
NOEUPP  ILE   12  HA  ILE   12  QG2  3.40      HA  ILE   12  QG1  3.75  1TAP 353
NOEUPP  ILE   12  HA  ASP-  13  HN   2.90      QG2 ASP-  13  HN   4.80  1TAP 354
NOEUPP  ILE   12  QG2 GLU-  14  HN   4.60      QG2 CYSS  39 2HB   6.50  1TAP 355
NOEUPP  ILE   12  QG2 CYSS  39 3HB   6.50      QG2 CYSS  39  QB   6.10  1TAP 356
NOEUPP  ILE   12  QG2 GLU-  41  QG   7.38                               1TAP 357
NOEUPP  ASP-  13  HN  ASP-  13 2HB   3.60      HN  ASP-  13 3HB   3.60  1TAP 358
NOEUPP  ASP-  13  HN  ASP-  13  QB   3.39      HA  ASP-  13 2HB   2.90  1TAP 359
NOEUPP  ASP-  13  HA  ASP-  13 3HB   2.90      HA  GLU-  14  HN   2.90  1TAP 360
NOEUPP  ASP-  13 2HB  GLU-  14  HN   5.10     3HB  GLU-  14  HN   5.10  1TAP 361
NOEUPP  GLU-  14  HN  GLU-  14 2HB   3.60      HN  GLU-  14 3HB   3.60  1TAP 362
NOEUPP  GLU-  14  HA  GLU-  14 2HB   2.90      HA  GLU-  14 3HB   2.90  1TAP 363
NOEUPP  GLU-  14 2HB  CYSS  15  HN   4.10     3HB  CYSS  15  HN   4.10  1TAP 364
NOEUPP  GLU-  14  QB  CYSS  15  HN   3.90                               1TAP 365
NOEUPP  CYSS  15  HN  CYSS  15 2HB   3.50      HN  CYSS  15 3HB   3.50  1TAP 366
NOEUPP  CYSS  15  HN  TRP   37  QB   6.28      HA  CYSS  15  QB   2.68  1TAP 367
NOEUPP  CYSS  15  HA  ASP-  16  HN   2.90      HA  GLU-  19 2HB   4.90  1TAP 368
NOEUPP  CYSS  15  HA  GLU-  19 3HB   4.10     2HB  ASP-  16  HN   4.60  1TAP 369
NOEUPP  CYSS  15 2HB  CYSS  39  HA   3.20     3HB  ASP-  16  HN   4.60  1TAP 370
NOEUPP  CYSS  15 3HB  CYSS  39  HA   3.20      QB  ASP-  16  HN   4.22  1TAP 371
NOEUPP  ASP-  16  HN  GLU-  19  QG   5.68      HA  ASP-  16 2HB   3.00  1TAP 372
NOEUPP  ASP-  16  HA  ASP-  16 3HB   3.00      HA  SER   17  HN   2.90  1TAP 373
NOEUPP  ASP-  16  HA  TRP   37 2HB   4.80      HA  TRP   37 3HB   4.80  1TAP 374
NOEUPP  ASP-  16  HA  TRP   37  QB   4.62     2HB  SER   17  HN   3.40  1TAP 375
NOEUPP  ASP-  16 3HB  SER   17  HN   3.40      QB  SER   17  HN   3.13  1TAP 376
NOEUPP  SER   17  HN  SER   17 2HB   3.50      HN  SER   17 3HB   3.50  1TAP 377
NOEUPP  SER   17  HN  SER   17  QB   3.24      HA  ASN   18  HN   3.20  1TAP 378
NOEUPP  SER   17  HA  GLU-  19  HN   4.30      HA  TRP   37  HE3  3.70  1TAP 379
NOEUPP  SER   17  HA  TRP   37  HZ3  3.60      HA  TRP   37  HZ2  4.80  1TAP 380
NOEUPP  SER   17  HA  TRP   37  HH2  4.80     2HB  ASN   18  HN   4.00  1TAP 381
NOEUPP  SER   17 2HB  TRP   37  HZ3  4.80     2HB  TRP   37  HZ2  5.50  1TAP 382
NOEUPP  SER   17 2HB  TRP   37  HH2  5.50     3HB  ASN   18  HN   4.00  1TAP 383
NOEUPP  SER   17 3HB  TRP   37  HZ3  4.80     3HB  TRP   37  HZ2  5.50  1TAP 384
NOEUPP  SER   17 3HB  TRP   37  HH2  5.50      QB  TRP   37  HZ3  4.38  1TAP 385
NOEUPP  SER   17  QB  TRP   37  HH2  4.95                               1TAP 386
NOEUPP  ASN   18  HN  ASN   18  QB   3.50      HN  GLU-  19  HN   3.00  1TAP 387
NOEUPP  GLU-  19  HN  GLU-  19 2HB   3.10      HN  GLU-  19 3HB   3.10  1TAP 388
NOEUPP  GLU-  19  HA  GLU-  19 2HB   2.80      HA  GLU-  19  QG   3.51  1TAP 389
NOEUPP  GLU-  19  HA  GLY   20  HN   3.00     2HB  GLY   20  HN   4.60  1TAP 390
NOEUPP  GLU-  19 3HB  GLY   20  HN   4.20                               1TAP 391
NOEUPP  GLY   20  HN  GLY   20 1HA   2.90      HN  GLY   20 2HA   2.90  1TAP 392
NOEUPP  GLY   20  HN  GLY   20  QA   2.66     1HA  GLY   21  HN   3.40  1TAP 393
NOEUPP  GLY   20 2HA  GLY   21  HN   3.40      QA  GLY   21  HN   3.18  1TAP 394
NOEUPP  GLY   21  HN  GLU-  22  HN   4.20     1HA  GLU-  22  HN   3.00  1TAP 395
NOEUPP  GLY   21 2HA  GLU-  22  HN   3.00      QA  GLU-  22  HN   2.77  1TAP 396
NOEUPP  GLY   21  QA  CYSS  39  HA   4.48                               1TAP 397
NOEUPP  GLU-  22  HN  GLU-  22 2HB   3.60      HN  GLU-  22 3HB   3.60  1TAP 398
NOEUPP  GLU-  22  HN  GLU-  22  QB   3.34      HN  GLU-  22  QG   4.38  1TAP 399
NOEUPP  GLU-  22  HN  ILE   38  HN   3.30      HA  GLU-  22 2HB   3.00  1TAP 400
NOEUPP  GLU-  22  HA  GLU-  22 3HB   3.00      HA  GLU-  22  QG   3.86  1TAP 401
NOEUPP  GLU-  22  HA  ARG+  23  HN   2.70      HA  TRP   37  HE3  4.70  1TAP 402
NOEUPP  GLU-  22  HA  TRP   37  HZ3  3.60     2HB  ARG+  23  HN   3.90  1TAP 403
NOEUPP  GLU-  22 3HB  ARG+  23  HN   3.90      QB  ARG+  23  HN   3.70  1TAP 404
NOEUPP  GLU-  22  QB  ILE   38  QD1  7.38      QG  ARG+  23  HN   5.38  1TAP 405
NOEUPP  GLU-  22  QG  ILE   38  QD1  7.38                               1TAP 406
NOEUPP  ARG+  23  HN  ARG+  23 2HB   3.20      HN  ARG+  23 3HB   3.20  1TAP 407
NOEUPP  ARG+  23  HA  ALA   24  HN   2.70      HA  TRP   37  HA   2.80  1TAP 408
NOEUPP  ARG+  23  HA  ILE   38  HN   4.20     2HB  TYR   25  CZ   6.40  1TAP 409
NOEUPP  ARG+  23 3HB  TYR   25  CZ   6.40      QB  ARG+  23  HE   4.28  1TAP 410
NOEUPP  ARG+  23  QB  ALA   24  HN   4.38      QB  TYR   25  CG   7.38  1TAP 411
NOEUPP  ARG+  23  QB  TYR   25  CZ   6.00      QB  SER   35  QB   6.08  1TAP 412
NOEUPP  ARG+  23  QB  PHE   36  HN   6.28     2HG  TRP   37  HZ3  4.40  1TAP 413
NOEUPP  ARG+  23 3HG  TRP   37  HZ3  4.40      QG  ARG+  23  HE   3.61  1TAP 414
NOEUPP  ARG+  23  QG  ALA   24  HN   4.68      QG  TYR   25  CG   8.38  1TAP 415
NOEUPP  ARG+  23  QG  TYR   25  CZ   7.28      QG  SER   35  QB   6.18  1TAP 416
NOEUPP  ARG+  23  QG  TRP   37  HE3  5.68      QG  TRP   37  HZ3  4.21  1TAP 417
NOEUPP  ARG+  23 2HD  ARG+  23  QH1  4.70     2HD  TRP   37  HZ2  4.20  1TAP 418
NOEUPP  ARG+  23 3HD  ARG+  23  QH1  4.70     3HD  TRP   37  HZ2  4.20  1TAP 419
NOEUPP  ARG+  23  QD  TRP   37  HZ3  5.78      QD  TRP   37  HZ2  3.86  1TAP 420
NOEUPP  ALA   24  HN  PHE   36  HN   3.20      HN  TRP   37  HA   4.20  1TAP 421
NOEUPP  ALA   24  HN  ILE   38  QD1  6.50      HA  TYR   25  HN   2.70  1TAP 422
NOEUPP  ALA   24  HA  TYR   25  CG   5.60      HA  TYR   25  CZ   7.50  1TAP 423
NOEUPP  ALA   24  HA  ILE   38  QD1  6.50      QB  TYR   25  HN   4.10  1TAP 424
NOEUPP  ALA   24  QB  PHE   26  CG   7.80      QB  PHE   26  CZ   6.60  1TAP 425
NOEUPP  ALA   24  QB  PHE   26  HZ   4.60      QB  PHE   36  HN   6.50  1TAP 426
NOEUPP  ALA   24  QB  PHE   36  CG   8.50      QB  TYR   48 2HB   3.80  1TAP 427
NOEUPP  ALA   24  QB  TYR   48 3HB   3.80      QB  TYR   48  QB   3.55  1TAP 428
NOEUPP  ALA   24  QB  TYR   48  CG   6.80      QB  TYR   49  HN   6.50  1TAP 429
NOEUPP  ALA   24  QB  SER   50  HA   6.00                               1TAP 430
NOEUPP  TYR   25  HN  TYR   25 2HB   2.90      HN  TYR   25 3HB   3.80  1TAP 431
NOEUPP  TYR   25  HN  TYR   49  HN   4.80      HN  TYR   49  QB   5.18  1TAP 432
NOEUPP  TYR   25  HA  TYR   25 3HB   2.80      HA  PHE   26  HN   2.50  1TAP 433
NOEUPP  TYR   25  HA  SER   35  HA   2.60      HA  SER   35  QB   5.00  1TAP 434
NOEUPP  TYR   25  HA  PHE   36  HN   4.20      HA  PHE   36  CG   7.30  1TAP 435
NOEUPP  TYR   25 2HB  PHE   26  HN   4.90     2HB  TYR   49  QB   4.68  1TAP 436
NOEUPP  TYR   25 2HB  TYR   52  HA   4.00     2HB  CYSS  55  HN   4.40  1TAP 437
NOEUPP  TYR   25 3HB  PHE   26  HN   3.30     3HB  TYR   49  QB   4.38  1TAP 438
NOEUPP  TYR   25 3HB  CYSS  55  HN   3.80      CG  PHE   26  HN   7.50  1TAP 439
NOEUPP  TYR   25  CG  CYSS  33 2HB   5.90      CG  CYSS  33 3HB   5.90  1TAP 440
NOEUPP  TYR   25  CG  CYSS  33  QB   5.49      CG  ASP-  34  HN   7.00  1TAP 441
NOEUPP  TYR   25  CG  SER   35  HA   6.20      CG  SER   50  HA   5.50  1TAP 442
NOEUPP  TYR   25  CG  SER   51  HN   6.30      CG  SER   51  HA   6.00  1TAP 443
NOEUPP  TYR   25  CG  TYR   52  HN   6.90      CG  TYR   52  HA   5.30  1TAP 444
NOEUPP  TYR   25  CG  TYR   52 2HB   6.30      CZ  SER   35  HA   7.10  1TAP 445
NOEUPP  TYR   25  CZ  SER   35  QB   6.50      CZ  SER   50  HA   6.80  1TAP 446
NOEUPP  TYR   25  CZ  SER   51  HA   5.30      CZ  TYR   52  HN   6.30  1TAP 447
NOEUPP  TYR   25  CZ  TYR   52 2HB   5.60      CZ  TYR   52 3HB   5.80  1TAP 448
NOEUPP  PHE   26  HN  PHE   26 2HB   3.30      HN  ASP-  34  HN   3.30  1TAP 449
NOEUPP  PHE   26  HA  PHE   26 3HB   2.70      HA  ARG+  27  HN   2.70  1TAP 450
NOEUPP  PHE   26 2HB  ARG+  27  HN   3.70     2HB  PHE   36  CG   6.80  1TAP 451
NOEUPP  PHE   26 2HB  PHE   36  CZ   6.30     3HB  ARG+  27  HN   3.00  1TAP 452
NOEUPP  PHE   26 3HB  PHE   36  CZ   7.00      CG  ARG+  27  HN   6.70  1TAP 453
NOEUPP  PHE   26  CG  PHE   36  CG   7.60      CZ  PHE   36  CG   8.70  1TAP 454
NOEUPP  PHE   26  CZ  ILE   38  QD1  8.50      CZ  TYR   48  CG   7.70  1TAP 455
NOEUPP  PHE   26  HZ  ILE   38  QG2  6.50      HZ  ILE   38  QD1  5.70  1TAP 456
NOEUPP  PHE   26  HZ  TYR   48  CG   6.00                               1TAP 457
NOEUPP  ARG+  27  HN  ARG+  27  QB   3.70      HN  ARG+  27  QG   4.88  1TAP 458
NOEUPP  ARG+  27  HN  ARG+  27  QD   5.48      HN  ASN   28  HN   4.80  1TAP 459
NOEUPP  ARG+  27  HA  ARG+  27  QG   3.73      HA  CYSS  33  HA   2.60  1TAP 460
NOEUPP  ARG+  27  HA  ASP-  34  HN   3.30      HA  ILE   60  QD1  5.10  1TAP 461
NOEUPP  ARG+  27  QB  ARG+  27  QD   3.72      QB  ARG+  27  HE   4.50  1TAP 462
NOEUPP  ARG+  27  QB  ASN   28  HA   5.80      QB  CYSS  33  HA   5.50  1TAP 463
NOEUPP  ARG+  27  QB  ILE   60  QD1  6.00      QG  ARG+  27  HE   3.93  1TAP 464
NOEUPP  ARG+  27  QG  ILE   60  QD1  5.68      QD  ILE   60  QD1  6.58  1TAP 465
NOEUPP  ASN   28  HN  ASN   28 2HB   3.70      HN  ASN   28 3HB   3.10  1TAP 466
NOEUPP  ASN   28  HN  CYSS  33  HA   3.30      HN  ILE   60  QD1  6.50  1TAP 467
NOEUPP  ASN   28  HA  ASN   28 2HB   2.70      HA  ASN   28 3HB   2.70  1TAP 468
NOEUPP  ASN   28  HA  ASN   28  QD2  4.97      HA  GLY   29  HN   3.10  1TAP 469
NOEUPP  ASN   28 2HB  ASN   28  QD2  3.56     2HB  GLY   29  HN   2.90  1TAP 470
NOEUPP  ASN   28 2HB  LYS+  30  HN   3.80     3HB  ASN   28  QD2  3.36  1TAP 471
NOEUPP  ASN   28 3HB  GLY   29  HN   4.20                               1TAP 472
NOEUPP  GLY   29  HN  LYS+  30  HN   3.30                               1TAP 473
NOEUPP  LYS+  30  HN  LYS+  30 2HB   3.90      HN  LYS+  30 3HB   3.90  1TAP 474
NOEUPP  LYS+  30  HN  LYS+  30  QB   3.32      HN  LYS+  30  QG   4.08  1TAP 475
NOEUPP  LYS+  30  HN  LYS+  30  QD   6.18      HN  GLY   31  HN   2.90  1TAP 476
NOEUPP  LYS+  30  HN  GLY   32  HN   3.60      HA  LYS+  30  QG   3.46  1TAP 477
NOEUPP  LYS+  30  QB  GLY   31  HN   5.18                               1TAP 478
NOEUPP  GLY   31  HN  GLY   32  HN   3.00      HN  ILE   60  QD1  6.50  1TAP 479
NOEUPP  GLY   31 1HA  ILE   60  QG2  6.50     2HA  ILE   60  QG2  6.50  1TAP 480
NOEUPP  GLY   31  QA  ILE   60  QG2  5.78      QA  ILE   60  QD1  5.98  1TAP 481
NOEUPP  GLY   32  HN  ILE   60  QD1  6.00     1HA  PHE   56  CG   7.10  1TAP 482
NOEUPP  GLY   32 2HA  PHE   56  CG   7.10      QA  PHE   56  CG   6.51  1TAP 483
NOEUPP  GLY   32  QA  PHE   56  CZ   7.38      QA  ILE   60  QG1  5.45  1TAP 484
NOEUPP  GLY   32  QA  ILE   60  QD1  6.18                               1TAP 485
NOEUPP  CYSS  33  HN  CYSS  33 2HB   3.70      HN  CYSS  33 3HB   3.70  1TAP 486
NOEUPP  CYSS  33  HN  CYSS  33  QB   3.35      HA  ASP-  34  HN   2.70  1TAP 487
NOEUPP  CYSS  33  HA  ILE   60  QD1  6.50     2HB  ASP-  34  HN   3.90  1TAP 488
NOEUPP  CYSS  33 3HB  ASP-  34  HN   3.90      QB  ASP-  34  HN   3.41  1TAP 489
NOEUPP  ASP-  34  HN  ASP-  34 2HB   4.00      HN  ASP-  34 3HB   4.00  1TAP 490
NOEUPP  ASP-  34  HN  ASP-  34  QB   3.34      HN  PHE   36  CZ   7.50  1TAP 491
NOEUPP  ASP-  34  HA  SER   35  HN   2.60                               1TAP 492
NOEUPP  SER   35  HA  PHE   36  HN   3.30                               1TAP 493
NOEUPP  PHE   36  HN  PHE   36 2HB   3.70      HN  PHE   36 3HB   3.70  1TAP 494
NOEUPP  PHE   36  HN  PHE   36  QB   3.39      HA  TRP   37  HN   3.30  1TAP 495
NOEUPP  PHE   36 2HB  TRP   37  HN   4.90     3HB  TRP   37  HN   4.90  1TAP 496
NOEUPP  PHE   36  QB  TRP   37  HN   4.39      CG  ILE   38  HA   6.50  1TAP 497
NOEUPP  PHE   36  CG  ILE   38  QG2  8.50      CG  ILE   38 2HG1  6.50  1TAP 498
NOEUPP  PHE   36  CG  ILE   38 3HG1  6.50      CG  ILE   38  QG1  6.19  1TAP 499
NOEUPP  PHE   36  CZ  ILE   38  HA   5.80      CZ  ILE   38  QG2  8.50  1TAP 500
NOEUPP  PHE   36  CZ  ILE   38  QG1  7.48                               1TAP 501
NOEUPP  TRP   37  HN  TRP   37 2HB   3.50      HN  TRP   37 3HB   3.50  1TAP 502
NOEUPP  TRP   37  HN  TRP   37  QB   3.09      HN  TRP   37  HD1  3.40  1TAP 503
NOEUPP  TRP   37  HA  TRP   37  QB   2.68      HA  TRP   37  HD1  4.70  1TAP 504
NOEUPP  TRP   37  HA  TRP   37  HE3  3.00      HA  ILE   38  HN   3.30  1TAP 505
NOEUPP  TRP   37  QB  TRP   37  HD1  3.43      QB  TRP   37  HE3  3.57  1TAP 506
NOEUPP  TRP   37  QB  ILE   38  HN   4.48                               1TAP 507
NOEUPP  ILE   38  HN  ILE   38  HB   2.90      HN  ILE   38 2HG1  3.40  1TAP 508
NOEUPP  ILE   38  HN  ILE   38 3HG1  3.40      HN  ILE   38  QG1  3.04  1TAP 509
NOEUPP  ILE   38  HN  ILE   38  QD1  6.50      HA  ILE   38 2HG1  3.40  1TAP 510
NOEUPP  ILE   38  HA  ILE   38 3HG1  3.40      HA  ILE   38  QG1  3.13  1TAP 511
NOEUPP  ILE   38  HB  ILE   38  QD1  3.70      HB  HIS   43  HD2  4.60  1TAP 512
NOEUPP  ILE   38  QG2 ASP-  42 2HB   5.10      QG2 ASP-  42 3HB   5.10  1TAP 513
NOEUPP  ILE   38  QG2 ASP-  42  QB   4.54      QG2 HIS   43  HN   6.50  1TAP 514
NOEUPP  ILE   38  QG2 HIS   43  HD2  5.40      QD1 HIS   43  HD2  6.50  1TAP 515
NOEUPP  ILE   38  QD1 TYR   48 2HB   6.50      QD1 TYR   48 3HB   6.50  1TAP 516
NOEUPP  ILE   38  QD1 TYR   48  CG   7.20      QD1 TYR   48  CZ   7.40  1TAP 517
NOEUPP  CYSS  39  HA  PRO   40  QG   5.30      HA  PRO   40 2HD   2.90  1TAP 518
NOEUPP  CYSS  39  HA  PRO   40 3HD   2.90      HA  PRO   40  QD   2.61  1TAP 519
NOEUPP  CYSS  39 2HB  PRO   40 2HD   4.60     2HB  PRO   40 3HD   4.60  1TAP 520
NOEUPP  CYSS  39 3HB  PRO   40 2HD   4.60     3HB  PRO   40 3HD   4.60  1TAP 521
NOEUPP  CYSS  39  QB  PRO   40  QD   3.59      QB  GLU-  41  HN   5.08  1TAP 522
NOEUPP  PRO   40  HA  HIS   43  HD2  4.00     2HB  GLU-  41  HN   4.30  1TAP 523
NOEUPP  PRO   40 3HB  GLU-  41  HN   4.30      QB  GLU-  41  HN   3.69  1TAP 524
NOEUPP  PRO   40  QG  GLU-  41  HN   4.68      QD  GLU-  41  HN   4.88  1TAP 525
NOEUPP  GLU-  41  HN  GLU-  41 2HB   3.10      HN  GLU-  41 3HB   3.10  1TAP 526
NOEUPP  GLU-  41  HN  GLU-  41  QG   4.08      HN  ASP-  42  HN   3.00  1TAP 527
NOEUPP  GLU-  41  HA  GLU-  41  QG   3.55     2HB  ASP-  42  HN   4.00  1TAP 528
NOEUPP  GLU-  41 3HB  ASP-  42  HN   4.00      QB  ASP-  42  HN   3.75  1TAP 529
NOEUPP  ASP-  42  HN  ASP-  42  QB   3.46      HA  HIS   43  HN   3.40  1TAP 530
NOEUPP  ASP-  42  HA  THR   44  QG2  6.50      QB  HIS   43  HD2  5.58  1TAP 531
NOEUPP  HIS   43  HN  HIS   43 2HB   3.40      HN  HIS   43 3HB   3.40  1TAP 532
NOEUPP  HIS   43  HN  HIS   43  QB   3.18      HN  THR   44  HN   3.40  1TAP 533
NOEUPP  HIS   43  HA  HIS   43  HD2  4.60      HA  THR   44  HN   3.60  1TAP 534
NOEUPP  HIS   43 2HB  HIS   43  HD2  4.00     2HB  THR   44  HN   4.90  1TAP 535
NOEUPP  HIS   43 3HB  HIS   43  HD2  4.00     3HB  THR   44  HN   4.90  1TAP 536
NOEUPP  HIS   43  QB  HIS   43  HD2  3.61      QB  THR   44  HN   4.57  1TAP 537
NOEUPP  THR   44  HN  THR   44  QG2  4.10      HN  GLY   45  HN   3.20  1TAP 538
NOEUPP  THR   44  HN  ALA   46  HN   4.10      HA  GLY   45  HN   3.10  1TAP 539
NOEUPP  THR   44  HA  ALA   46  HN   5.30      HB  GLY   45  HN   4.60  1TAP 540
NOEUPP  THR   44  QG2 GLY   45  HN   6.50      QG2 TYR   48  CZ   8.50  1TAP 541
NOEUPP  GLY   45  HN  GLY   45 1HA   2.90      HN  GLY   45 2HA   2.90  1TAP 542
NOEUPP  GLY   45  HN  ALA   46  HN   3.20     1HA  ALA   46  HN   3.40  1TAP 543
NOEUPP  GLY   45 2HA  ALA   46  HN   3.40      QA  ALA   46  HN   3.18  1TAP 544
NOEUPP  ALA   46  HN  ALA   46  QB   3.40      HN  ASP-  47  HN   3.50  1TAP 545
NOEUPP  ALA   46  HA  ASP-  47  HN   2.70      QB  ASP-  47  HN   4.20  1TAP 546
NOEUPP  ALA   46  QB  TYR   48  HN   6.50      QB  TYR   48  CG   8.50  1TAP 547
NOEUPP  ALA   46  QB  TYR   48  CZ   7.90                               1TAP 548
NOEUPP  ASP-  47  HN  ASP-  47 2HB   3.10      HN  ASP-  47 3HB   3.00  1TAP 549
NOEUPP  ASP-  47  HN  TYR   48  HN   3.90      HA  ASP-  47 2HB   2.80  1TAP 550
NOEUPP  ASP-  47  HA  ASP-  47 3HB   3.00                               1TAP 551
NOEUPP  TYR   48  HA  TYR   48 2HB   3.00      HA  TYR   48 3HB   3.00  1TAP 552
NOEUPP  TYR   48  HA  TYR   48  QB   2.72      HA  TYR   49  HN   3.00  1TAP 553
NOEUPP  TYR   48 2HB  TYR   49  HN   3.70     3HB  TYR   49  HN   3.70  1TAP 554
NOEUPP  TYR   48  QB  TYR   49  HN   3.44                               1TAP 555
NOEUPP  TYR   49  HN  TYR   49  QB   3.61      HA  TYR   49  CZ   5.60  1TAP 556
NOEUPP  TYR   49  HA  SER   50  HN   3.50      QB  SER   51  HN   6.38  1TAP 557
NOEUPP  TYR   49  CG  SER   50  HN   6.70      CG  ASP-  54 2HB   5.30  1TAP 558
NOEUPP  TYR   49  CG  ASP-  54 3HB   5.00      CG  ALA   58  QB   7.40  1TAP 559
NOEUPP  TYR   49  CZ  ASP-  54 2HB   7.50      CZ  ASP-  54 3HB   6.10  1TAP 560
NOEUPP  TYR   49  CZ  CYSS  55  HA   6.90      CZ  ALA   58  QB   6.00  1TAP 561
NOEUPP  SER   50  HN  SER   50 2HB   3.60      HN  SER   50 3HB   3.30  1TAP 562
NOEUPP  SER   50  HN  SER   51  HN   3.00      HN  ASP-  54 2HB   4.40  1TAP 563
NOEUPP  SER   50  HA  SER   50 2HB   2.70      HA  SER   50 3HB   2.70  1TAP 564
NOEUPP  SER   51  HN  SER   51 2HB   3.70      HN  SER   51 3HB   3.70  1TAP 565
NOEUPP  SER   51  HN  ASP-  54 2HB   3.30      HA  SER   51 2HB   2.50  1TAP 566
NOEUPP  SER   51  HA  SER   51 3HB   2.70      HA  TYR   52  HN   2.70  1TAP 567
NOEUPP  SER   51 2HB  TYR   52  HN   3.00     2HB  ARG+  53  HN   3.50  1TAP 568
NOEUPP  SER   51 3HB  TYR   52  HN   4.00                               1TAP 569
NOEUPP  TYR   52  HN  TYR   52 2HB   2.70      HN  TYR   52 3HB   2.70  1TAP 570
NOEUPP  TYR   52  HN  ARG+  53  HN   3.10      HA  TYR   52 2HB   2.90  1TAP 571
NOEUPP  TYR   52  HA  TYR   52  CZ   5.40      HA  CYSS  55  HN   3.50  1TAP 572
NOEUPP  TYR   52  HA  PHE   56  HN   4.10     2HB  ARG+  53  HN   3.70  1TAP 573
NOEUPP  TYR   52 3HB  ARG+  53  HN   2.80      CG  ARG+  53  HA   5.70  1TAP 574
NOEUPP  TYR   52  CG  ARG+  53  QB   7.90      CG  PHE   56 2HB   5.90  1TAP 575
NOEUPP  TYR   52  CZ  ARG+  53  HA   6.80                               1TAP 576
NOEUPP  ARG+  53  HN  ARG+  53  HA   2.90      HN  ARG+  53  QB   3.60  1TAP 577
NOEUPP  ARG+  53  HN  ARG+  53  QD   5.78      HN  ASP-  54  HN   3.20  1TAP 578
NOEUPP  ARG+  53  HA  ARG+  53  QG   3.69      HA  ARG+  53  QD   4.28  1TAP 579
NOEUPP  ARG+  53  HA  CYSS  55  HN   5.00      HA  PHE   56  HN   3.50  1TAP 580
NOEUPP  ARG+  53  HA  PHE   56 2HB   3.10      HA  PHE   56 3HB   2.70  1TAP 581
NOEUPP  ARG+  53  HA  PHE   56  CG   6.70      HA  ASN   57  HN   4.00  1TAP 582
NOEUPP  ARG+  53  QB  ASP-  54  HN   3.90      QB  ASP-  54  HA   5.10  1TAP 583
NOEUPP  ARG+  53  QB  ASN   57 1HD2  5.50      QB  ASN   57 2HD2  5.50  1TAP 584
NOEUPP  ARG+  53  QB  ASN   57  QD2  5.09     2HG  ASN   57 1HD2  5.95  1TAP 585
NOEUPP  ARG+  53 2HG  ASN   57 2HD2  5.95     3HG  ASN   57 1HD2  5.95  1TAP 586
NOEUPP  ARG+  53 3HG  ASN   57 2HD2  5.95      QG  ASP-  54  HA   5.48  1TAP 587
NOEUPP  ARG+  53  QG  ASN   57  QD2  5.00      QD  PHE   56  CG   8.38  1TAP 588
NOEUPP  ASP-  54  HN  ASP-  54 2HB   2.80      HN  CYSS  55  HN   3.10  1TAP 589
NOEUPP  ASP-  54  HA  ASP-  54 3HB   2.70      HA  ASN   57  HN   3.50  1TAP 590
NOEUPP  ASP-  54  HA  ASN   57  QD2  5.67      HA  ALA   58  HN   4.10  1TAP 591
NOEUPP  ASP-  54 2HB  CYSS  55  HN   3.10     3HB  CYSS  55  HN   3.10  1TAP 592
NOEUPP  CYSS  55  HN  CYSS  55 2HB   2.90      HN  PHE   56  HN   3.00  1TAP 593
NOEUPP  CYSS  55  HA  ALA   58  HN   3.50      HA  ALA   58  QB   4.30  1TAP 594
NOEUPP  CYSS  55  HA  CYSS  59  HN   4.00     3HB  PHE   56  HN   2.90  1TAP 595
NOEUPP  PHE   56  HN  PHE   56 2HB   2.70      HN  PHE   56 3HB   2.70  1TAP 596
NOEUPP  PHE   56  HN  ASN   57  HN   3.00      HA  PHE   56 2HB   2.80  1TAP 597
NOEUPP  PHE   56  HA  PHE   56  CZ   6.10      HA  CYSS  59  HN   4.90  1TAP 598
NOEUPP  PHE   56  HA  CYSS  59  QB   5.30      HA  ILE   60  HN   3.80  1TAP 599
NOEUPP  PHE   56  HA  ILE   60  HB   3.20      HA  ILE   60  QG2  5.90  1TAP 600
NOEUPP  PHE   56  HA  ILE   60 2HG1  3.10      HA  ILE   60 3HG1  3.10  1TAP 601
NOEUPP  PHE   56  HA  ILE   60  QG1  2.77      HA  ILE   60  QD1  4.50  1TAP 602
NOEUPP  PHE   56 2HB  ASN   57  HN   3.70     3HB  ASN   57  HN   2.90  1TAP 603
NOEUPP  PHE   56  CG  ASN   57  HN   6.40      CG  ASN   57  HA   5.90  1TAP 604
NOEUPP  PHE   56  CG  ILE   60  HB   6.70      CG  ILE   60  QG2  8.50  1TAP 605
NOEUPP  PHE   56  CG  ILE   60 2HG1  6.90      CG  ILE   60 3HG1  6.90  1TAP 606
NOEUPP  PHE   56  CG  ILE   60  QG1  6.41      CG  ILE   60  QD1  8.30  1TAP 607
NOEUPP  PHE   56  CZ  ILE   60  HB   7.00      CZ  ILE   60  QG2  7.50  1TAP 608
NOEUPP  PHE   56  CZ  ILE   60  QG1  7.68      CZ  ILE   60  QD1  8.50  1TAP 609
NOEUPP  PHE   56  HZ  ILE   60  QG2  5.10                               1TAP 610
NOEUPP  ASN   57  HN  ASN   57  HA   2.80      HN  ALA   58  HN   2.90  1TAP 611
NOEUPP  ASN   57  HA  ILE   60  HN   3.50      QB  ALA   58  HN   3.98  1TAP 612
NOEUPP  ALA   58  HN  ALA   58  QB   3.40      HN  CYSS  59  HN   3.20  1TAP 613
NOEUPP  ALA   58  QB  CYSS  59  HN   4.10      QB  CYSS  59  HA   5.70  1TAP 614
NOEUPP  CYSS  59  HN  CYSS  59  QB   3.70      QB  ILE   60  QD1  6.80  1TAP 615
NOEUPP  ILE   60  HN  ILE   60  HB   2.70      HN  ILE   60  QG2  4.90  1TAP 616
NOEUPP  ILE   60  HN  ILE   60 2HG1  3.90      HN  ILE   60 3HG1  3.90  1TAP 617
NOEUPP  ILE   60  HN  ILE   60  QG1  3.46      HN  ILE   60  QD1  6.20  1TAP 618
NOEUPP  ILE   60  HA  ILE   60  QG2  3.40      HA  ILE   60 2HG1  3.90  1TAP 619
NOEUPP  ILE   60  HA  ILE   60 3HG1  3.90      HA  ILE   60  QG1  3.60  1TAP 620
NOEUPP  ILE   60  HA  ILE   60  QD1  3.40                               1TAP 621
SSUPP   CYSS   5  SG  CYSS  59  SG   2.10      SG  CYSS  59  CB   3.10  1TAP 622
SSUPP   CYSS   5  CB  CYSS  59  SG   3.10                               1TAP 623
SSUPP   CYSS  15  SG  CYSS  39  SG   2.10      SG  CYSS  39  CB   3.10  1TAP 624
SSUPP   CYSS  15  CB  CYSS  39  SG   3.10                               1TAP 625
SSUPP   CYSS  33  SG  CYSS  55  SG   2.10      SG  CYSS  55  CB   3.10  1TAP 626
SSUPP   CYSS  33  CB  CYSS  55  SG   3.10                               1TAP 627
SSLOW   CYSS   5  SG  CYSS  59  SG   2.00      SG  CYSS  59  CB   3.00  1TAP 628
SSLOW   CYSS   5  CB  CYSS  59  SG   3.00                               1TAP 629
SSLOW   CYSS  15  SG  CYSS  39  SG   2.00      SG  CYSS  39  CB   3.00  1TAP 630
SSLOW   CYSS  15  CB  CYSS  39  SG   3.00                               1TAP 631
SSLOW   CYSS  33  SG  CYSS  55  SG   2.00      SG  CYSS  55  CB   3.00  1TAP 632
SSLOW   CYSS  33  CB  CYSS  55  SG   3.00                               1TAP 633
ANGLE   TYR    1 PHI     35.00  325.00        PSI     25.00  205.00     1TAP 634
ANGLE   ASN    2 PHI     35.00  325.00        PSI   -105.00  225.00     1TAP 635
ANGLE   ARG+   3 PHI    -75.00  -35.00        PSI     85.00  195.00     1TAP 636
ANGLE   ARG+   3 CHI1   145.00  225.00                                  1TAP 637
ANGLE   LEU    4 PHI   -165.00  -45.00        PSI   -105.00  225.00     1TAP 638
ANGLE   LEU    4 CHI1   155.00  325.00                                  1TAP 639
ANGLE   CYSS   5 PHI   -115.00  -45.00        PSI    -85.00    5.00     1TAP 640
ANGLE   CYSS   5 CHI1   165.00  215.00                                  1TAP 641
ANGLE   ILE    6 PHI   -145.00  -65.00        PSI     35.00  195.00     1TAP 642
ANGLE   ILE    6 CHI1  -105.00  -35.00                                  1TAP 643
ANGLE   LYS+   7 PHI    -85.00  -45.00        PSI   -285.00    5.00     1TAP 644
ANGLE   LYS+   7 CHI1   135.00  225.00                                  1TAP 645
ANGLE   ARG+   9 PHI     85.00  195.00        PSI      5.00  105.00     1TAP 646
ANGLE   ASP-  10 PHI     85.00  325.00        PSI    -95.00   95.00     1TAP 647
ANGLE   ASP-  10 CHI1  -205.00  135.00                                  1TAP 648
ANGLE   TRP   11 PHI   -165.00   45.00        PSI     -5.00  225.00     1TAP 649
ANGLE   TRP   11 CHI1    35.00  335.00                                  1TAP 650
ANGLE   ILE   12 PHI     45.00  275.00        PSI     25.00  105.00     1TAP 651
ANGLE   ILE   12 CHI1  -215.00    5.00                                  1TAP 652
ANGLE   ASP-  13 PHI   -175.00   75.00        PSI     25.00  205.00     1TAP 653
ANGLE   ASP-  13 CHI1  -115.00  155.00                                  1TAP 654
ANGLE   GLU-  14 PHI   -195.00   75.00        PSI   -255.00    5.00     1TAP 655
ANGLE   GLU-  14 CHI1  -145.00  155.00                                  1TAP 656
ANGLE   CYSS  15 PHI   -155.00   65.00        PSI     85.00  205.00     1TAP 657
ANGLE   CYSS  15 CHI1   -85.00  175.00                                  1TAP 658
ANGLE   ASP-  16 PHI     35.00  295.00        PSI    145.00  205.00     1TAP 659
ANGLE   ASP-  16 CHI1  -245.00   75.00                                  1TAP 660
ANGLE   SER   17 PHI   -185.00   65.00        PSI    105.00  225.00     1TAP 661
ANGLE   ASN   18 PHI     35.00  325.00        PSI    -95.00   95.00     1TAP 662
ANGLE   GLU-  19 PHI   -155.00   45.00        PSI     15.00  215.00     1TAP 663
ANGLE   GLU-  19 CHI1   135.00  245.00                                  1TAP 664
ANGLE   GLU-  22 PHI     45.00  285.00        PSI    115.00  185.00     1TAP 665
ANGLE   GLU-  22 CHI1  -145.00  205.00                                  1TAP 666
ANGLE   ARG+  23 PHI   -165.00  -65.00        PSI    135.00  185.00     1TAP 667
ANGLE   ARG+  23 CHI1   125.00  245.00                                  1TAP 668
ANGLE   ALA   24 PHI     55.00  275.00        PSI     45.00  185.00     1TAP 669
ANGLE   TYR   25 PHI   -155.00  -85.00        PSI    125.00  175.00     1TAP 670
ANGLE   TYR   25 CHI1  -105.00  -45.00                                  1TAP 671
ANGLE   PHE   26 PHI   -155.00  -85.00        PSI    145.00  185.00     1TAP 672
ANGLE   PHE   26 CHI1  -105.00  -35.00                                  1TAP 673
ANGLE   ARG+  27 PHI    -75.00  195.00        PSI   -105.00  225.00     1TAP 674
ANGLE   ASN   28 PHI   -125.00  -35.00        PSI    145.00  225.00     1TAP 675
ANGLE   ASN   28 CHI1    35.00   85.00                                  1TAP 676
ANGLE   LYS+  30 PHI   -155.00  -85.00        PSI    -95.00   55.00     1TAP 677
ANGLE   LYS+  30 CHI1   155.00  325.00                                  1TAP 678
ANGLE   CYSS  33 PHI   -155.00  -85.00        PSI    135.00  185.00     1TAP 679
ANGLE   CYSS  33 CHI1   -95.00  -45.00                                  1TAP 680
ANGLE   ASP-  34 PHI   -155.00  -85.00        PSI     55.00  185.00     1TAP 681
ANGLE   ASP-  34 CHI1   155.00  325.00                                  1TAP 682
ANGLE   SER   35 PHI     35.00  295.00        PSI     -5.00  225.00     1TAP 683
ANGLE   PHE   36 PHI     45.00  285.00        PSI     -5.00  225.00     1TAP 684
ANGLE   PHE   36 CHI1  -115.00  175.00                                  1TAP 685
ANGLE   TRP   37 PHI   -165.00  -65.00        PSI    115.00  225.00     1TAP 686
ANGLE   TRP   37 CHI1   155.00  325.00                                  1TAP 687
ANGLE   ILE   38 PHI   -175.00   55.00        PSI   -105.00  225.00     1TAP 688
ANGLE   ILE   38 CHI1   135.00  345.00                                  1TAP 689
ANGLE   CYSS  39 PHI     35.00  325.00        PSI   -105.00  225.00     1TAP 690
ANGLE   CYSS  39 CHI1    35.00  325.00                                  1TAP 691
ANGLE   GLU-  41 PHI    -85.00  -45.00        PSI    -85.00   -5.00     1TAP 692
ANGLE   GLU-  41 CHI1   115.00  245.00                                  1TAP 693
ANGLE   ASP-  42 PHI   -165.00  -35.00        PSI    -25.00  225.00     1TAP 694
ANGLE   ASP-  42 CHI1   155.00  325.00                                  1TAP 695
ANGLE   HIS   43 PHI   -185.00   65.00        PSI   -105.00  105.00     1TAP 696
ANGLE   HIS   43 CHI1  -285.00   35.00                                  1TAP 697
ANGLE   THR   44 PHI     35.00  275.00        PSI     15.00  105.00     1TAP 698
ANGLE   ALA   46 PHI     35.00  275.00        PSI     45.00  115.00     1TAP 699
ANGLE   ASP-  47 PHI   -155.00  -75.00        PSI   -145.00  115.00     1TAP 700
ANGLE   ASP-  47 CHI1   135.00  235.00                                  1TAP 701
ANGLE   TYR   48 PHI     35.00  295.00        PSI    135.00  215.00     1TAP 702
ANGLE   TYR   48 CHI1    15.00  325.00                                  1TAP 703
ANGLE   TYR   49 PHI   -205.00   55.00        PSI    -45.00  275.00     1TAP 704
ANGLE   TYR   49 CHI1   165.00  315.00                                  1TAP 705
ANGLE   SER   50 PHI   -125.00  -75.00        PSI    -95.00   55.00     1TAP 706
ANGLE   SER   50 CHI1    35.00   85.00                                  1TAP 707
ANGLE   SER   51 PHI   -135.00  -75.00        PSI    135.00  185.00     1TAP 708
ANGLE   SER   51 CHI1    45.00   85.00                                  1TAP 709
ANGLE   TYR   52 PHI    -85.00  -35.00        PSI    -95.00  -55.00     1TAP 710
ANGLE   TYR   52 CHI1   155.00  185.00                                  1TAP 711
ANGLE   ARG+  53 PHI     85.00  325.00        PSI    -95.00  105.00     1TAP 712
ANGLE   ASP-  54 PHI   -165.00  -35.00        PSI    -95.00  -45.00     1TAP 713
ANGLE   ASP-  54 CHI1   -95.00  -55.00                                  1TAP 714
ANGLE   CYSS  55 PHI    -75.00  -35.00        PSI    -85.00  -25.00     1TAP 715
ANGLE   CYSS  55 CHI1   145.00  215.00                                  1TAP 716
ANGLE   PHE   56 PHI    -85.00  -35.00        PSI    -85.00  -45.00     1TAP 717
ANGLE   PHE   56 CHI1   155.00  195.00                                  1TAP 718
ANGLE   ASN   57 PHI     35.00  325.00        PSI    -85.00   85.00     1TAP 719
ANGLE   ALA   58 PHI     45.00  285.00        PSI   -105.00   95.00     1TAP 720
ANGLE   CYSS  59 PHI     45.00  285.00        PSI   -105.00  225.00     1TAP 721
ANGLE   ILE   60 PHI   -155.00  -75.00        PSI   -105.00  225.00     1TAP 722
ANGLE   ILE   60 CHI1  -105.00  -35.00                                  1TAP 723
MASTER       97    0  129   45  350    6   90                           1TAP 724
END                                                                     1TAP 725


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1    H    TYR   1           HN       TYR   1   1.349  15.729  15.729
    2    HA   TYR   1           HA       TYR   1   1.361  15.400  15.400
    3   1HB   TYR   1          2HB       TYR   1   3.554  15.153  15.153
    4   2HB   TYR   1          3HB       TYR   1   3.231  13.432  13.432
    5    HD1  TYR   1           HD1      TYR   1   3.049  15.893  15.893
    6    HD2  TYR   1           HD2      TYR   1   4.978  12.439  12.439
    7    HE1  TYR   1           HE1      TYR   1   4.445  15.645  15.645
    8    HE2  TYR   1           HE2      TYR   1   6.442  12.280  12.280
    9    HH   TYR   1           HH       TYR   1   5.951  14.237  14.237
   10    H    ASN   2           HN       ASN   2   1.544  13.814  13.814
   11    HA   ASN   2           HA       ASN   2   1.137  12.016  12.016
   12   1HB   ASN   2          2HB       ASN   2   2.043  10.827  10.827
   13   2HB   ASN   2          3HB       ASN   2   1.317   9.769   9.769
   14   1HD2  ASN   2          2HD2      ASN   2   4.749   9.473   9.473
   15   2HD2  ASN   2          1HD2      ASN   2   3.619   8.829   8.829
   16    H    ARG   3           HN       ARG   3  -0.695  11.780  11.780
   17    HA   ARG   3           HA       ARG   3  -3.075  11.545  11.545
   18   1HB   ARG   3          2HB       ARG   3  -2.528  12.497  12.497
   19   2HB   ARG   3          3HB       ARG   3  -3.082  10.891  10.891
   20   1HG   ARG   3          2HG       ARG   3  -4.955  12.361  12.361
   21   2HG   ARG   3          3HG       ARG   3  -5.225  11.378  11.378
   22   1HD   ARG   3          2HD       ARG   3  -5.799  13.680  13.680
   23   2HD   ARG   3          3HD       ARG   3  -4.371  13.250  13.250
   24    HE   ARG   3           HE       ARG   3  -3.629  14.474  14.474
   25   1HH1  ARG   3          2HH2      ARG   3  -4.618  15.199  15.199
   26   2HH1  ARG   3          1HH2      ARG   3  -4.575  16.929  16.929
   27   1HH2  ARG   3          2HH1      ARG   3  -3.387  16.749  16.749
   28   2HH2  ARG   3          1HH1      ARG   3  -3.570  17.804  17.804
   29    H    LEU   4           HN       LEU   4  -4.704   9.494   9.494
   30    HA   LEU   4           HA       LEU   4  -3.641   7.024   7.024
   31   1HB   LEU   4          2HB       LEU   4  -5.668   7.474   7.474
   32   2HB   LEU   4          3HB       LEU   4  -5.376   5.962   5.962
   33    HG   LEU   4           HG       LEU   4  -6.629   8.496   8.496
   34   1HD1  LEU   4          2HD1      LEU   4  -8.015   6.936   6.936
   35   2HD1  LEU   4          3HD1      LEU   4  -7.598   5.605   5.605
   36   3HD1  LEU   4          1HD1      LEU   4  -8.565   6.976   6.976
   37   1HD2  LEU   4          2HD2      LEU   4  -5.796   5.991   5.991
   38   2HD2  LEU   4          3HD2      LEU   4  -5.221   7.652   7.652
   39   3HD2  LEU   4          1HD2      LEU   4  -6.902   7.242   7.242
   40    H    CYS   5           HN       CYS   5  -3.649   8.571   8.571
   41    HA   CYS   5           HA       CYS   5  -2.655   6.578   6.578
   42   1HB   CYS   5          2HB       CYS   5  -3.699   8.737   8.737
   43   2HB   CYS   5          3HB       CYS   5  -2.238   9.602   9.602
   44    H    ILE   6           HN       ILE   6  -0.876   8.133   8.133
   45    HA   ILE   6           HA       ILE   6   1.703   7.349   7.349
   46    HB   ILE   6           HB       ILE   6   1.321   9.733   9.733
   47   1HG1  ILE   6          2HG1      ILE   6   0.779   9.793   9.793
   48   2HG1  ILE   6          3HG1      ILE   6  -0.240  10.341  10.341
   49   1HG2  ILE   6          3HG2      ILE   6   3.591   8.709   8.709
   50   2HG2  ILE   6          1HG2      ILE   6   3.277   9.062   9.062
   51   3HG2  ILE   6          2HG2      ILE   6   3.487  10.386  10.386
   52   1HD1  ILE   6          2HD1      ILE   6   1.500  12.085  12.085
   53   2HD1  ILE   6          3HD1      ILE   6   2.313  11.656  11.656
   54   3HD1  ILE   6          1HD1      ILE   6   0.667  12.296  12.296
   55    H    LYS   7           HN       LYS   7   2.537   5.744   5.744
   56    HA   LYS   7           HA       LYS   7   1.512   5.418   5.418
   57   1HB   LYS   7          2HB       LYS   7   1.665   3.524   3.524
   58   2HB   LYS   7          3HB       LYS   7   3.367   3.828   3.828
   59   1HG   LYS   7          2HG       LYS   7   3.267   1.988   1.988
   60   2HG   LYS   7          3HG       LYS   7   3.855   3.301   3.301
   61   1HD   LYS   7          2HD       LYS   7   1.852   3.428   3.428
   62   2HD   LYS   7          3HD       LYS   7   0.886   2.690   2.690
   63   1HE   LYS   7          2HE       LYS   7   1.997   0.592   0.592
   64   2HE   LYS   7          3HE       LYS   7   3.060   1.152   1.152
   65   1HZ   LYS   7          2HZ       LYS   7   0.083   0.969   0.969
   66   2HZ   LYS   7          3HZ       LYS   7   1.113  -0.089  -0.089
   67   3HZ   LYS   7          1HZ       LYS   7   1.082   1.449   1.449
   68    HA   PRO   8           HA       PRO   8   5.597   7.175   7.175
   69   1HB   PRO   8          2HB       PRO   8   4.883   7.927   7.927
   70   2HB   PRO   8          3HB       PRO   8   4.589   8.963   8.963
   71   1HG   PRO   8          2HG       PRO   8   2.650   7.280   7.280
   72   2HG   PRO   8          3HG       PRO   8   2.371   8.840   8.840
   73   1HD   PRO   8          2HD       PRO   8   1.714   6.282   6.282
   74   2HD   PRO   8          3HD       PRO   8   1.806   7.797   7.797
   75    H    ARG   9           HN       ARG   9   6.338   4.992   4.992
   76    HA   ARG   9           HA       ARG   9   7.432   3.749   3.749
   77   1HB   ARG   9          2HB       ARG   9   4.572   2.955   2.955
   78   2HB   ARG   9          3HB       ARG   9   5.830   1.732   1.732
   79   1HG   ARG   9          2HG       ARG   9   7.013   2.855   2.855
   80   2HG   ARG   9          3HG       ARG   9   6.115   4.343   4.343
   81   1HD   ARG   9          2HD       ARG   9   5.529   2.783   2.783
   82   2HD   ARG   9          3HD       ARG   9   4.255   3.591   3.591
   83    HE   ARG   9           HE       ARG   9   3.380   1.620   1.620
   84   1HH1  ARG   9          2HH2      ARG   9   6.884   0.842   0.842
   85   2HH1  ARG   9          1HH2      ARG   9   6.544  -0.693  -0.693
   86   1HH2  ARG   9          2HH1      ARG   9   3.036  -0.556  -0.556
   87   2HH2  ARG   9          1HH1      ARG   9   4.350  -1.618  -1.618
   88    H    ASP  10           HN       ASP  10   8.804   2.871   2.871
   89    HA   ASP  10           HA       ASP  10   8.540   1.419   1.419
   90   1HB   ASP  10          2HB       ASP  10  10.776   0.501   0.501
   91   2HB   ASP  10          3HB       ASP  10  10.720   2.250   2.250
   92    H    TRP  11           HN       TRP  11   7.336   0.458   0.458
   93    HA   TRP  11           HA       TRP  11   7.056  -1.625  -1.625
   94   1HB   TRP  11          2HB       TRP  11   4.800  -2.080  -2.080
   95   2HB   TRP  11          3HB       TRP  11   5.044  -0.344  -0.344
   96    HD1  TRP  11           HD1      TRP  11   6.287  -1.193  -1.193
   97    HE1  TRP  11           HE1      TRP  11   4.817  -1.680  -1.680
   98    HE3  TRP  11           HE3      TRP  11   2.122  -1.729  -1.729
   99    HZ2  TRP  11           HZ2      TRP  11   1.833  -2.310  -2.310
  100    HZ3  TRP  11           HZ3      TRP  11  -0.156  -1.942  -1.942
  101    HH2  TRP  11           HH2      TRP  11  -0.250  -2.014  -2.014
  102    H    ILE  12           HN       ILE  12   9.128  -2.591  -2.591
  103    HA   ILE  12           HA       ILE  12  10.079  -4.359  -4.359
  104    HB   ILE  12           HB       ILE  12   7.766  -5.577  -5.577
  105   1HG1  ILE  12          2HG1      ILE  12  10.562  -4.864  -4.864
  106   2HG1  ILE  12          3HG1      ILE  12   9.031  -4.236  -4.236
  107   1HG2  ILE  12          3HG2      ILE  12   8.873  -7.296  -7.296
  108   2HG2  ILE  12          1HG2      ILE  12  10.408  -6.923  -6.923
  109   3HG2  ILE  12          2HG2      ILE  12   9.072  -7.693  -7.693
  110   1HD1  ILE  12          1HD1      ILE  12   8.495  -6.553  -6.553
  111   2HD1  ILE  12          2HD1      ILE  12  10.173  -7.008  -7.008
  112   3HD1  ILE  12          3HD1      ILE  12   9.857  -5.735  -5.735
  113    H    ASP  13           HN       ASP  13   9.173  -3.048  -3.048
  114    HA   ASP  13           HA       ASP  13   7.344  -4.197  -4.197
  115   1HB   ASP  13          2HB       ASP  13   9.639  -2.232  -2.232
  116   2HB   ASP  13          3HB       ASP  13   8.918  -2.802  -2.802
  117    H    GLU  14           HN       GLU  14   8.530  -6.479  -6.479
  118    HA   GLU  14           HA       GLU  14  10.128  -7.320  -7.320
  119   1HB   GLU  14          2HB       GLU  14  11.736  -8.363  -8.363
  120   2HB   GLU  14          3HB       GLU  14  11.798  -6.619  -6.619
  121   1HG   GLU  14          2HG       GLU  14  10.552  -6.267  -6.267
  122   2HG   GLU  14          3HG       GLU  14  10.667  -8.022  -8.022
  123    H    CYS  15           HN       CYS  15   7.859  -7.975  -7.975
  124    HA   CYS  15           HA       CYS  15   7.642 -10.848 -10.848
  125   1HB   CYS  15          2HB       CYS  15   5.471  -8.807  -8.807
  126   2HB   CYS  15          3HB       CYS  15   5.361 -10.560 -10.560
  127    H    ASP  16           HN       ASP  16   8.118 -10.969 -10.969
  128    HA   ASP  16           HA       ASP  16   6.662  -9.417  -9.417
  129   1HB   ASP  16          2HB       ASP  16   8.943 -10.433 -10.433
  130   2HB   ASP  16          3HB       ASP  16   8.160 -11.945 -11.945
  131    H    SER  17           HN       SER  17   5.879 -10.863 -10.863
  132    HA   SER  17           HA       SER  17   3.227 -11.638 -11.638
  133   1HB   SER  17          2HB       SER  17   3.448 -12.952 -12.952
  134   2HB   SER  17          3HB       SER  17   3.794 -11.241 -11.241
  135    HG   SER  17           HG       SER  17   5.910 -13.013 -13.013
  136    H    ASN  18           HN       ASN  18   2.480 -13.258 -13.258
  137    HA   ASN  18           HA       ASN  18   1.921 -15.381 -15.381
  138   1HB   ASN  18          2HB       ASN  18   3.033 -16.147 -16.147
  139   2HB   ASN  18          3HB       ASN  18   4.426 -16.594 -16.594
  140   1HD2  ASN  18          2HD2      ASN  18   2.696 -19.314 -19.314
  141   2HD2  ASN  18          1HD2      ASN  18   4.070 -18.234 -18.234
  142    H    GLU  19           HN       GLU  19   5.308 -14.471 -14.471
  143    HA   GLU  19           HA       GLU  19   5.820 -15.545 -15.545
  144   1HB   GLU  19          2HB       GLU  19   7.263 -14.176 -14.176
  145   2HB   GLU  19          3HB       GLU  19   7.550 -13.356 -13.356
  146   1HG   GLU  19          2HG       GLU  19   8.290 -15.505 -15.505
  147   2HG   GLU  19          3HG       GLU  19   8.000 -16.320 -16.320
  148    H    GLY  20           HN       GLY  20   3.265 -13.847 -13.847
  149   1HA   GLY  20          1HA       GLY  20   3.567 -12.006 -12.006
  150   2HA   GLY  20          2HA       GLY  20   3.874 -11.170 -11.170
  151    H    GLY  21           HN       GLY  21   2.062  -9.936  -9.936
  152   1HA   GLY  21          1HA       GLY  21  -0.619 -11.140 -11.140
  153   2HA   GLY  21          2HA       GLY  21  -0.140  -9.479  -9.479
  154    H    GLU  22           HN       GLU  22  -1.775  -8.500  -8.500
  155    HA   GLU  22           HA       GLU  22  -2.095  -9.144  -9.144
  156   1HB   GLU  22          2HB       GLU  22  -3.039  -6.737  -6.737
  157   2HB   GLU  22          3HB       GLU  22  -3.616  -7.172  -7.172
  158   1HG   GLU  22          2HG       GLU  22  -3.991  -8.885  -8.885
  159   2HG   GLU  22          3HG       GLU  22  -5.200  -7.830  -7.830
  160    H    ARG  23           HN       ARG  23  -1.768  -7.506  -7.506
  161    HA   ARG  23           HA       ARG  23   0.567  -5.745  -5.745
  162   1HB   ARG  23          2HB       ARG  23  -0.754  -6.907  -6.907
  163   2HB   ARG  23          3HB       ARG  23  -0.661  -5.151  -5.151
  164   1HG   ARG  23          2HG       ARG  23   1.717  -5.179  -5.179
  165   2HG   ARG  23          3HG       ARG  23   1.697  -6.873  -6.873
  166   1HD   ARG  23          2HD       ARG  23   1.381  -5.418  -5.418
  167   2HD   ARG  23          3HD       ARG  23   2.710  -6.460  -6.460
  168    HE   ARG  23           HE       ARG  23   0.280  -7.951  -7.951
  169   1HH1  ARG  23          2HH2      ARG  23   2.545  -6.677  -6.677
  170   2HH1  ARG  23          1HH2      ARG  23   1.748  -7.444  -7.444
  171   1HH2  ARG  23          2HH1      ARG  23  -0.629  -9.040  -9.040
  172   2HH2  ARG  23          1HH1      ARG  23  -0.346  -8.610  -8.610
  173    H    ALA  24           HN       ALA  24   0.320  -3.501  -3.501
  174    HA   ALA  24           HA       ALA  24  -2.411  -2.367  -2.367
  175   1HB   ALA  24          1HB       ALA  24  -1.936  -3.116  -3.116
  176   2HB   ALA  24          2HB       ALA  24  -0.598  -1.969  -1.969
  177   3HB   ALA  24          3HB       ALA  24  -2.277  -1.401  -1.401
  178    H    TYR  25           HN       TYR  25  -2.363  -0.121  -0.121
  179    HA   TYR  25           HA       TYR  25   0.171   0.625   0.625
  180   1HB   TYR  25          2HB       TYR  25  -2.763   0.883   0.883
  181   2HB   TYR  25          3HB       TYR  25  -1.479   1.677   1.677
  182    HD1  TYR  25           HD1      TYR  25  -2.813  -1.652  -1.652
  183    HD2  TYR  25           HD2      TYR  25  -0.024   0.447   0.447
  184    HE1  TYR  25           HE1      TYR  25  -2.417  -3.724  -3.724
  185    HE2  TYR  25           HE2      TYR  25   0.254  -1.605  -1.605
  186    HH   TYR  25           HH       TYR  25  -1.527  -4.614  -4.614
  187    H    PHE  26           HN       PHE  26   1.107   2.545   2.545
  188    HA   PHE  26           HA       PHE  26  -0.496   4.707   4.707
  189   1HB   PHE  26          2HB       PHE  26   2.136   3.490   3.490
  190   2HB   PHE  26          3HB       PHE  26   1.508   5.027   5.027
  191    HD1  PHE  26           HD1      PHE  26   0.504   1.416   1.416
  192    HD2  PHE  26           HD2      PHE  26   0.194   5.052   5.052
  193    HE1  PHE  26           HE1      PHE  26  -1.106   0.365   0.365
  194    HE2  PHE  26           HE2      PHE  26  -0.804   3.741   3.741
  195    HZ   PHE  26           HZ       PHE  26  -1.009   1.209   1.209
  196    H    ARG  27           HN       ARG  27   1.250   6.652   6.652
  197    HA   ARG  27           HA       ARG  27   2.686   7.002   7.002
  198   1HB   ARG  27          2HB       ARG  27   0.059   7.278   7.278
  199   2HB   ARG  27          3HB       ARG  27   0.345   8.812   8.812
  200   1HG   ARG  27          2HG       ARG  27   1.729   7.892   7.892
  201   2HG   ARG  27          3HG       ARG  27   0.327   8.933   8.933
  202   1HD   ARG  27          2HD       ARG  27   2.348  10.111  10.111
  203   2HD   ARG  27          3HD       ARG  27   3.087   9.641   9.641
  204    HE   ARG  27           HE       ARG  27   0.558  11.115  11.115
  205   1HH1  ARG  27          2HH2      ARG  27   4.000  11.509  11.509
  206   2HH1  ARG  27          1HH2      ARG  27   4.128  12.980  12.980
  207   1HH2  ARG  27          2HH1      ARG  27   0.559  13.155  13.155
  208   2HH2  ARG  27          1HH1      ARG  27   2.054  14.040  14.040
  209    H    ASN  28           HN       ASN  28   4.365   7.792   7.792
  210    HA   ASN  28           HA       ASN  28   4.412   9.814   9.814
  211   1HB   ASN  28          2HB       ASN  28   6.902   9.561   9.561
  212   2HB   ASN  28          3HB       ASN  28   5.995   8.127   8.127
  213   1HD2  ASN  28          2HD2      ASN  28   7.471   6.135   6.135
  214   2HD2  ASN  28          1HD2      ASN  28   7.326   6.472   6.472
  215    H    GLY  29           HN       GLY  29   5.751  11.737  11.737
  216   1HA   GLY  29          1HA       GLY  29   4.993  13.128  13.128
  217   2HA   GLY  29          2HA       GLY  29   5.918  13.744  13.744
  218    H    LYS  30           HN       LYS  30   6.610  10.919  10.919
  219    HA   LYS  30           HA       LYS  30   9.197  12.204  12.204
  220   1HB   LYS  30          2HB       LYS  30   8.259   9.309   9.309
  221   2HB   LYS  30          3HB       LYS  30   9.753   9.979   9.979
  222   1HG   LYS  30          2HG       LYS  30  10.524  10.582  10.582
  223   2HG   LYS  30          3HG       LYS  30   9.002  10.034  10.034
  224   1HD   LYS  30          2HD       LYS  30  10.752   8.382   8.382
  225   2HD   LYS  30          3HD       LYS  30   9.433   7.733   7.733
  226   1HE   LYS  30          2HE       LYS  30  10.826   8.040   8.040
  227   2HE   LYS  30          3HE       LYS  30  12.148   8.704   8.704
  228   1HZ   LYS  30          2HZ       LYS  30  11.000   6.017   6.017
  229   2HZ   LYS  30          3HZ       LYS  30  12.194   6.264   6.264
  230   3HZ   LYS  30          1HZ       LYS  30  12.459   6.536   6.536
  231    H    GLY  31           HN       GLY  31   7.111   9.904   9.904
  232   1HA   GLY  31          1HA       GLY  31   5.573  11.585  11.585
  233   2HA   GLY  31          2HA       GLY  31   7.116  11.432  11.432
  234    H    GLY  32           HN       GLY  32   5.029   9.239   9.239
  235   1HA   GLY  32          1HA       GLY  32   3.816   7.801   7.801
  236   2HA   GLY  32          2HA       GLY  32   5.330   6.939   6.939
  237    H    CYS  33           HN       CYS  33   3.018   5.670   5.670
  238    HA   CYS  33           HA       CYS  33   2.703   5.876   5.876
  239   1HB   CYS  33          2HB       CYS  33   1.393   4.113   4.113
  240   2HB   CYS  33          3HB       CYS  33   1.239   3.734   3.734
  241    H    ASP  34           HN       ASP  34   3.147   3.984   3.984
  242    HA   ASP  34           HA       ASP  34   5.223   2.143   2.143
  243   1HB   ASP  34          2HB       ASP  34   5.316   3.950   3.950
  244   2HB   ASP  34          3HB       ASP  34   6.080   2.364   2.364
  245    H    SER  35           HN       SER  35   4.280   0.154   0.154
  246    HA   SER  35           HA       SER  35   2.225  -0.239  -0.239
  247   1HB   SER  35          2HB       SER  35   2.697  -2.683  -2.683
  248   2HB   SER  35          3HB       SER  35   1.278  -1.657  -1.657
  249    HG   SER  35           HG       SER  35   2.425  -0.471  -0.471
  250    H    PHE  36           HN       PHE  36   2.558  -1.581  -1.581
  251    HA   PHE  36           HA       PHE  36   5.168  -3.026  -3.026
  252   1HB   PHE  36          2HB       PHE  36   4.629  -2.639  -2.639
  253   2HB   PHE  36          3HB       PHE  36   5.613  -1.586  -1.586
  254    HD1  PHE  36           HD2      PHE  36   1.892  -1.798  -1.798
  255    HD2  PHE  36           HD1      PHE  36   5.496   0.292   0.292
  256    HE1  PHE  36           HE2      PHE  36   0.700  -0.401  -0.401
  257    HE2  PHE  36           HE1      PHE  36   4.232   1.853   1.853
  258    HZ   PHE  36           HZ       PHE  36   1.763   1.515   1.515
  259    H    TRP  37           HN       TRP  37   4.639  -4.543  -4.543
  260    HA   TRP  37           HA       TRP  37   2.122  -5.982  -5.982
  261   1HB   TRP  37          2HB       TRP  37   4.798  -6.965  -6.965
  262   2HB   TRP  37          3HB       TRP  37   3.317  -7.921  -7.921
  263    HD1  TRP  37           HD1      TRP  37   6.243  -6.777  -6.777
  264    HE1  TRP  37           HE1      TRP  37   6.119  -7.847  -7.847
  265    HE3  TRP  37           HE3      TRP  37   1.541  -8.760  -8.760
  266    HZ2  TRP  37           HZ2      TRP  37   3.999  -8.782  -8.782
  267    HZ3  TRP  37           HZ3      TRP  37   0.448  -9.540  -9.540
  268    HH2  TRP  37           HH2      TRP  37   1.743  -9.811  -9.811
  269    H    ILE  38           HN       ILE  38   0.898  -6.345  -6.345
  270    HA   ILE  38           HA       ILE  38   1.530  -4.547  -4.547
  271    HB   ILE  38           HB       ILE  38  -0.661  -6.638  -6.638
  272   1HG1  ILE  38          2HG1      ILE  38  -0.447  -3.838  -3.838
  273   2HG1  ILE  38          3HG1      ILE  38  -0.920  -5.304  -5.304
  274   1HG2  ILE  38          1HG2      ILE  38  -0.155  -5.479  -5.479
  275   2HG2  ILE  38          2HG2      ILE  38  -0.647  -3.984  -3.984
  276   3HG2  ILE  38          3HG2      ILE  38  -1.798  -5.295  -5.295
  277   1HD1  ILE  38          2HD1      ILE  38  -2.983  -5.351  -5.351
  278   2HD1  ILE  38          3HD1      ILE  38  -2.477  -3.702  -3.702
  279   3HD1  ILE  38          1HD1      ILE  38  -2.932  -4.049  -4.049
  280    H    CYS  39           HN       CYS  39   1.921  -7.932  -7.932
  281    HA   CYS  39           HA       CYS  39   2.725  -9.704  -9.704
  282   1HB   CYS  39          2HB       CYS  39   4.379  -7.840  -7.840
  283   2HB   CYS  39          3HB       CYS  39   3.413  -8.143  -8.143
  284    HA   PRO  40           HA       PRO  40  -0.912 -10.248 -10.248
  285   1HB   PRO  40          2HB       PRO  40   0.702 -12.070 -12.070
  286   2HB   PRO  40          3HB       PRO  40  -0.848 -12.391 -12.391
  287   1HG   PRO  40          2HG       PRO  40   1.487 -13.485 -13.485
  288   2HG   PRO  40          3HG       PRO  40   0.263 -12.849 -12.849
  289   1HD   PRO  40          2HD       PRO  40   2.712 -11.399 -11.399
  290   2HD   PRO  40          3HD       PRO  40   2.222 -11.600 -11.600
  291    H    GLU  41           HN       GLU  41   2.263  -9.302  -9.302
  292    HA   GLU  41           HA       GLU  41   1.929  -9.135  -9.135
  293   1HB   GLU  41          2HB       GLU  41   4.026  -8.968  -8.968
  294   2HB   GLU  41          3HB       GLU  41   3.849  -7.241  -7.241
  295   1HG   GLU  41          2HG       GLU  41   4.082  -7.563  -7.563
  296   2HG   GLU  41          3HG       GLU  41   4.056  -9.332  -9.332
  297    H    ASP  42           HN       ASP  42   1.961  -6.255  -6.255
  298    HA   ASP  42           HA       ASP  42   0.815  -4.647  -4.647
  299   1HB   ASP  42          2HB       ASP  42   2.696  -3.874  -3.874
  300   2HB   ASP  42          3HB       ASP  42   1.391  -3.637  -3.637
  301    H    HIS  43           HN       HIS  43  -1.023  -6.268  -6.268
  302    HA   HIS  43           HA       HIS  43  -3.062  -5.688  -5.688
  303   1HB   HIS  43          2HB       HIS  43  -2.816  -7.560  -7.560
  304   2HB   HIS  43          3HB       HIS  43  -4.421  -7.025  -7.025
  305    HD1  HIS  43           HD1      HIS  43  -5.162  -9.336  -9.336
  306    HD2  HIS  43           HD2      HIS  43  -1.878  -7.483  -7.483
  307    HE1  HIS  43           HE1      HIS  43  -4.947 -10.383 -10.383
  308    H    THR  44           HN       THR  44  -2.644  -3.588  -3.588
  309    HA   THR  44           HA       THR  44  -3.643  -2.076  -2.076
  310    HB   THR  44           HB       THR  44  -1.610  -1.527  -1.527
  311    HG1  THR  44          1HG       THR  44  -3.712   0.370   0.370
  312   1HG2  THR  44          1HG2      THR  44  -2.326  -2.164  -2.164
  313   2HG2  THR  44          2HG2      THR  44  -3.241  -0.654  -0.654
  314   3HG2  THR  44          3HG2      THR  44  -1.487  -0.647  -0.647
  315    H    GLY  45           HN       GLY  45  -5.612  -3.784  -3.784
  316   1HA   GLY  45          1HA       GLY  45  -7.804  -3.475  -3.475
  317   2HA   GLY  45          2HA       GLY  45  -7.619  -1.714  -1.714
  318    H    ALA  46           HN       ALA  46  -5.514  -1.140  -1.140
  319    HA   ALA  46           HA       ALA  46  -4.748  -0.702  -0.702
  320   1HB   ALA  46          3HB       ALA  46  -5.221  -3.671  -3.671
  321   2HB   ALA  46          1HB       ALA  46  -4.427  -2.568  -2.568
  322   3HB   ALA  46          2HB       ALA  46  -3.719  -2.856  -2.856
  323    H    ASP  47           HN       ASP  47  -6.795   0.442   0.442
  324    HA   ASP  47           HA       ASP  47  -8.659   0.273   0.273
  325   1HB   ASP  47          2HB       ASP  47  -9.603   1.169   1.169
  326   2HB   ASP  47          3HB       ASP  47  -8.246   2.295   2.295
  327    H    TYR  48           HN       TYR  48  -7.120   0.269   0.269
  328    HA   TYR  48           HA       TYR  48  -5.494   2.696   2.696
  329   1HB   TYR  48          2HB       TYR  48  -4.599  -0.231  -0.231
  330   2HB   TYR  48          3HB       TYR  48  -3.625   1.113   1.113
  331    HD1  TYR  48           HD2      TYR  48  -3.985   3.120   3.120
  332    HD2  TYR  48           HD1      TYR  48  -3.063  -1.078  -1.078
  333    HE1  TYR  48           HE2      TYR  48  -2.726   3.397   3.397
  334    HE2  TYR  48           HE1      TYR  48  -1.917  -0.829  -0.829
  335    HH   TYR  48           HH       TYR  48  -1.783   2.285   2.285
  336    H    TYR  49           HN       TYR  49  -4.586   2.398   2.398
  337    HA   TYR  49           HA       TYR  49  -6.902   1.698   1.698
  338   1HB   TYR  49          2HB       TYR  49  -4.110   2.413   2.413
  339   2HB   TYR  49          3HB       TYR  49  -5.505   2.227   2.227
  340    HD1  TYR  49           HD1      TYR  49  -7.660   3.674   3.674
  341    HD2  TYR  49           HD2      TYR  49  -3.575   4.605   4.605
  342    HE1  TYR  49           HE1      TYR  49  -8.325   5.992   5.992
  343    HE2  TYR  49           HE2      TYR  49  -4.261   6.885   6.885
  344    HH   TYR  49           HH       TYR  49  -7.627   8.023   8.023
  345    H    SER  50           HN       SER  50  -7.272  -0.060  -0.060
  346    HA   SER  50           HA       SER  50  -5.815  -2.566  -2.566
  347   1HB   SER  50          2HB       SER  50  -8.093  -3.202  -3.202
  348   2HB   SER  50          3HB       SER  50  -8.141  -2.669  -2.669
  349    HG   SER  50           HG       SER  50  -9.642  -1.579  -1.579
  350    H    SER  51           HN       SER  51  -7.500  -0.879  -0.879
  351    HA   SER  51           HA       SER  51  -6.043  -2.204  -2.204
  352   1HB   SER  51          2HB       SER  51  -7.325  -0.374  -0.374
  353   2HB   SER  51          3HB       SER  51  -8.259  -1.680  -1.680
  354    HG   SER  51           HG       SER  51  -8.788   0.777   0.777
  355    H    TYR  52           HN       TYR  52  -4.358  -1.472  -1.472
  356    HA   TYR  52           HA       TYR  52  -2.563   0.571   0.571
  357   1HB   TYR  52          2HB       TYR  52  -1.779  -1.169  -1.169
  358   2HB   TYR  52          3HB       TYR  52  -3.001  -0.708  -0.708
  359    HD1  TYR  52           HD2      TYR  52   0.122   0.499   0.499
  360    HD2  TYR  52           HD1      TYR  52  -2.675   1.094   1.094
  361    HE1  TYR  52           HE2      TYR  52   1.640   2.141   2.141
  362    HE2  TYR  52           HE1      TYR  52  -1.150   2.750   2.750
  363    HH   TYR  52           HH       TYR  52   1.013   3.712   3.712
  364    H    ARG  53           HN       ARG  53  -5.053   0.469   0.469
  365    HA   ARG  53           HA       ARG  53  -4.528   3.033   3.033
  366   1HB   ARG  53          2HB       ARG  53  -5.961   1.132   1.132
  367   2HB   ARG  53          3HB       ARG  53  -7.250   1.690   1.690
  368   1HG   ARG  53          2HG       ARG  53  -7.672   2.765   2.765
  369   2HG   ARG  53          3HG       ARG  53  -6.911   4.028   4.028
  370   1HD   ARG  53          2HD       ARG  53  -4.843   3.875   3.875
  371   2HD   ARG  53          3HD       ARG  53  -5.159   2.246   2.246
  372    HE   ARG  53           HE       ARG  53  -5.783   4.700   4.700
  373   1HH1  ARG  53          2HH2      ARG  53  -7.306   1.476   1.476
  374   2HH1  ARG  53          1HH2      ARG  53  -7.872   1.365   1.365
  375   1HH2  ARG  53          2HH1      ARG  53  -6.831   4.566   4.566
  376   2HH2  ARG  53          1HH1      ARG  53  -8.059   3.342   3.342
  377    H    ASP  54           HN       ASP  54  -6.388   2.071   2.071
  378    HA   ASP  54           HA       ASP  54  -7.719   4.659   4.659
  379   1HB   ASP  54          2HB       ASP  54  -7.435   2.286   2.286
  380   2HB   ASP  54          3HB       ASP  54  -7.873   3.869   3.869
  381    H    CYS  55           HN       CYS  55  -4.829   3.145   3.145
  382    HA   CYS  55           HA       CYS  55  -4.119   5.517   5.517
  383   1HB   CYS  55          2HB       CYS  55  -2.964   3.426   3.426
  384   2HB   CYS  55          3HB       CYS  55  -2.316   3.380   3.380
  385    H    PHE  56           HN       PHE  56  -3.203   4.491   4.491
  386    HA   PHE  56           HA       PHE  56  -1.562   6.711   6.711
  387   1HB   PHE  56          2HB       PHE  56  -1.824   4.527   4.527
  388   2HB   PHE  56          3HB       PHE  56  -3.294   5.196   5.196
  389    HD1  PHE  56           HD1      PHE  56   0.407   5.533   5.533
  390    HD2  PHE  56           HD2      PHE  56  -3.206   7.145   7.145
  391    HE1  PHE  56           HE1      PHE  56   1.744   7.052   7.052
  392    HE2  PHE  56           HE2      PHE  56  -1.860   8.661   8.661
  393    HZ   PHE  56           HZ       PHE  56   0.624   8.605   8.605
  394    H    ASN  57           HN       ASN  57  -5.052   6.241   6.241
  395    HA   ASN  57           HA       ASN  57  -5.176   8.877   8.877
  396   1HB   ASN  57          2HB       ASN  57  -7.445   7.065   7.065
  397   2HB   ASN  57          3HB       ASN  57  -7.665   8.552   8.552
  398   1HD2  ASN  57          2HD2      ASN  57  -8.019   5.889   5.889
  399   2HD2  ASN  57          1HD2      ASN  57  -8.870   6.529   6.529
  400    H    ALA  58           HN       ALA  58  -5.713   7.640   7.640
  401    HA   ALA  58           HA       ALA  58  -7.212   9.925   9.925
  402   1HB   ALA  58          1HB       ALA  58  -5.512   7.925   7.925
  403   2HB   ALA  58          2HB       ALA  58  -6.684   9.066   9.066
  404   3HB   ALA  58          3HB       ALA  58  -7.242   7.755   7.755
  405    H    CYS  59           HN       CYS  59  -3.759   8.931   8.931
  406    HA   CYS  59           HA       CYS  59  -3.146  11.552  11.552
  407   1HB   CYS  59          2HB       CYS  59  -1.956   8.808   8.808
  408   2HB   CYS  59          3HB       CYS  59  -1.150  10.274  10.274
  409    H    ILE  60           HN       ILE  60  -2.700  10.258  10.258
  410    HA   ILE  60           HA       ILE  60  -0.112  11.774  11.774
  411    HB   ILE  60           HB       ILE  60  -1.177   9.613   9.613
  412   1HG1  ILE  60          2HG1      ILE  60  -0.375   8.763   8.763
  413   2HG1  ILE  60          3HG1      ILE  60   0.459   8.141   8.141
  414   1HG2  ILE  60          2HG2      ILE  60   1.361  11.312  11.312
  415   2HG2  ILE  60          3HG2      ILE  60   1.206   9.805   9.805
  416   3HG2  ILE  60          1HG2      ILE  60   0.143  11.167  11.167
  417   1HD1  ILE  60          2HD1      ILE  60   1.542  10.422  10.422
  418   2HD1  ILE  60          3HD1      ILE  60   1.980   8.719   8.719
  419   3HD1  ILE  60          1HD1      ILE  60   2.380   9.569   9.569

  Start of MODEL    2
    1    H    TYR   1           HN       TYR   1  -8.487  12.507  12.507
    2    HA   TYR   1           HA       TYR   1  -7.983  12.503  12.503
    3   1HB   TYR   1          2HB       TYR   1  -6.705  14.472  14.472
    4   2HB   TYR   1          3HB       TYR   1  -5.606  14.015  14.015
    5    HD1  TYR   1           HD1      TYR   1  -6.586  13.045  13.045
    6    HD2  TYR   1           HD2      TYR   1  -3.606  12.840  12.840
    7    HE1  TYR   1           HE1      TYR   1  -4.856  12.473  12.473
    8    HE2  TYR   1           HE2      TYR   1  -1.857  12.615  12.615
    9    HH   TYR   1           HH       TYR   1  -2.558  12.846  12.846
   10    H    ASN   2           HN       ASN   2  -7.316  10.595  10.595
   11    HA   ASN   2           HA       ASN   2  -5.482   8.920   8.920
   12   1HB   ASN   2          2HB       ASN   2  -7.807   8.077   8.077
   13   2HB   ASN   2          3HB       ASN   2  -7.749   8.023   8.023
   14   1HD2  ASN   2          2HD2      ASN   2  -6.939   4.600   4.600
   15   2HD2  ASN   2          1HD2      ASN   2  -8.330   5.685   5.685
   16    H    ARG   3           HN       ARG   3  -3.554   8.760   8.760
   17    HA   ARG   3           HA       ARG   3  -3.244   9.884   9.884
   18   1HB   ARG   3          2HB       ARG   3  -1.698  10.282  10.282
   19   2HB   ARG   3          3HB       ARG   3  -1.289   8.569   8.569
   20   1HG   ARG   3          2HG       ARG   3  -0.132   8.636   8.636
   21   2HG   ARG   3          3HG       ARG   3  -0.919  10.099  10.099
   22   1HD   ARG   3          2HD       ARG   3   0.820  10.136  10.136
   23   2HD   ARG   3          3HD       ARG   3   1.534  10.318  10.318
   24    HE   ARG   3           HE       ARG   3  -0.469  12.178  12.178
   25   1HH1  ARG   3          2HH2      ARG   3   2.247  11.642  11.642
   26   2HH1  ARG   3          1HH2      ARG   3   2.506  13.369  13.369
   27   1HH2  ARG   3          2HH1      ARG   3  -0.271  14.462  14.462
   28   2HH2  ARG   3          1HH1      ARG   3   1.137  14.836  14.836
   29    H    LEU   4           HN       LEU   4  -4.768   8.345   8.345
   30    HA   LEU   4           HA       LEU   4  -3.780   5.588   5.588
   31   1HB   LEU   4          2HB       LEU   4  -6.353   6.937   6.937
   32   2HB   LEU   4          3HB       LEU   4  -5.985   5.220   5.220
   33    HG   LEU   4           HG       LEU   4  -6.352   6.656   6.656
   34   1HD1  LEU   4          2HD1      LEU   4  -8.425   6.132   6.132
   35   2HD1  LEU   4          3HD1      LEU   4  -7.902   4.433   4.433
   36   3HD1  LEU   4          1HD1      LEU   4  -8.329   5.178   5.178
   37   1HD2  LEU   4          1HD2      LEU   4  -5.681   3.761   3.761
   38   2HD2  LEU   4          2HD2      LEU   4  -4.666   4.861   4.861
   39   3HD2  LEU   4          3HD2      LEU   4  -6.214   4.267   4.267
   40    H    CYS   5           HN       CYS   5  -3.110   8.400   8.400
   41    HA   CYS   5           HA       CYS   5  -2.787   7.052   7.052
   42   1HB   CYS   5          2HB       CYS   5  -3.414   9.304   9.304
   43   2HB   CYS   5          3HB       CYS   5  -2.126   9.841   9.841
   44    H    ILE   6           HN       ILE   6  -0.794   8.184   8.184
   45    HA   ILE   6           HA       ILE   6   1.574   6.851   6.851
   46    HB   ILE   6           HB       ILE   6   1.411   8.843   8.843
   47   1HG1  ILE   6          2HG1      ILE   6   1.884   9.596   9.596
   48   2HG1  ILE   6          3HG1      ILE   6   0.320   9.792   9.792
   49   1HG2  ILE   6          2HG2      ILE   6   3.480   7.465   7.465
   50   2HG2  ILE   6          3HG2      ILE   6   3.632   7.993   7.993
   51   3HG2  ILE   6          1HG2      ILE   6   3.810   9.151   9.151
   52   1HD1  ILE   6          3HD1      ILE   6   2.747  10.994  10.994
   53   2HD1  ILE   6          1HD1      ILE   6   1.698  11.829  11.829
   54   3HD1  ILE   6          2HD1      ILE   6   1.027  11.204  11.204
   55    H    LYS   7           HN       LYS   7   1.588   4.740   4.740
   56    HA   LYS   7           HA       LYS   7   1.471   4.365   4.365
   57   1HB   LYS   7          2HB       LYS   7   0.921   2.591   2.591
   58   2HB   LYS   7          3HB       LYS   7   2.469   2.123   2.123
   59   1HG   LYS   7          2HG       LYS   7   1.293   2.396   2.396
   60   2HG   LYS   7          3HG       LYS   7  -0.131   2.074   2.074
   61   1HD   LYS   7          2HD       LYS   7   0.519  -0.066  -0.066
   62   2HD   LYS   7          3HD       LYS   7   1.193   0.028   0.028
   63   1HE   LYS   7          2HE       LYS   7   2.836  -0.966  -0.966
   64   2HE   LYS   7          3HE       LYS   7   3.441   0.616   0.616
   65   1HZ   LYS   7          1HZ       LYS   7   1.855   0.006   0.006
   66   2HZ   LYS   7          2HZ       LYS   7   3.431   0.122   0.122
   67   3HZ   LYS   7          3HZ       LYS   7   2.525   1.441   1.441
   68    HA   PRO   8           HA       PRO   8   5.716   2.592   2.592
   69   1HB   PRO   8          2HB       PRO   8   7.247   3.585   3.585
   70   2HB   PRO   8          3HB       PRO   8   6.065   2.264   2.264
   71   1HG   PRO   8          2HG       PRO   8   5.715   5.166   5.166
   72   2HG   PRO   8          3HG       PRO   8   5.132   3.739   3.739
   73   1HD   PRO   8          2HD       PRO   8   3.604   5.285   5.285
   74   2HD   PRO   8          3HD       PRO   8   3.213   3.538   3.538
   75    H    ARG   9           HN       ARG   9   6.504   3.330   3.330
   76    HA   ARG   9           HA       ARG   9   8.464   5.467   5.467
   77   1HB   ARG   9          2HB       ARG   9   5.917   6.320   6.320
   78   2HB   ARG   9          3HB       ARG   9   6.270   5.765   5.765
   79   1HG   ARG   9          2HG       ARG   9   8.231   7.258   7.258
   80   2HG   ARG   9          3HG       ARG   9   7.989   7.686   7.686
   81   1HD   ARG   9          2HD       ARG   9   7.048   9.505   9.505
   82   2HD   ARG   9          3HD       ARG   9   5.695   8.579   8.579
   83    HE   ARG   9           HE       ARG   9   5.070   7.991   7.991
   84   1HH1  ARG   9          2HH2      ARG   9   8.394   9.327   9.327
   85   2HH1  ARG   9          1HH2      ARG   9   8.265   9.792   9.792
   86   1HH2  ARG   9          2HH1      ARG   9   5.249   8.034   8.034
   87   2HH2  ARG   9          1HH1      ARG   9   6.338   9.197   9.197
   88    H    ASP  10           HN       ASP  10   8.292   2.587   2.587
   89    HA   ASP  10           HA       ASP  10   9.531   1.757   1.757
   90   1HB   ASP  10          2HB       ASP  10   6.464   1.549   1.549
   91   2HB   ASP  10          3HB       ASP  10   7.504   0.431   0.431
   92    H    TRP  11           HN       TRP  11   6.818   0.930   0.930
   93    HA   TRP  11           HA       TRP  11   6.665  -1.549  -1.549
   94   1HB   TRP  11          2HB       TRP  11   5.580   0.363   0.363
   95   2HB   TRP  11          3HB       TRP  11   6.837   0.210   0.210
   96    HD1  TRP  11           HD1      TRP  11   6.352  -3.228  -3.228
   97    HE1  TRP  11           HE1      TRP  11   4.913  -4.205  -4.205
   98    HE3  TRP  11           HE3      TRP  11   4.084   0.980   0.980
   99    HZ2  TRP  11           HZ2      TRP  11   2.220  -3.392  -3.392
  100    HZ3  TRP  11           HZ3      TRP  11   1.810   0.765   0.765
  101    HH2  TRP  11           HH2      TRP  11   1.052  -1.390  -1.390
  102    H    ILE  12           HN       ILE  12   8.028  -3.176  -3.176
  103    HA   ILE  12           HA       ILE  12  10.631  -3.022  -3.022
  104    HB   ILE  12           HB       ILE  12   9.379  -5.202  -5.202
  105   1HG1  ILE  12          2HG1      ILE  12  11.319  -2.962  -2.962
  106   2HG1  ILE  12          3HG1      ILE  12   9.638  -3.092  -3.092
  107   1HG2  ILE  12          3HG2      ILE  12  11.267  -5.834  -5.834
  108   2HG2  ILE  12          1HG2      ILE  12  12.291  -4.685  -4.685
  109   3HG2  ILE  12          2HG2      ILE  12  11.636  -6.110  -6.110
  110   1HD1  ILE  12          3HD1      ILE  12  10.177  -5.249  -5.249
  111   2HD1  ILE  12          1HD1      ILE  12  11.903  -4.967  -4.967
  112   3HD1  ILE  12          2HD1      ILE  12  11.025  -3.843  -3.843
  113    H    ASP  13           HN       ASP  13   9.530  -2.778  -2.778
  114    HA   ASP  13           HA       ASP  13   8.292  -4.715  -4.715
  115   1HB   ASP  13          2HB       ASP  13   9.635  -2.408  -2.408
  116   2HB   ASP  13          3HB       ASP  13  10.683  -3.514  -3.514
  117    H    GLU  14           HN       GLU  14   8.974  -6.657  -6.657
  118    HA   GLU  14           HA       GLU  14  11.026  -8.137  -8.137
  119   1HB   GLU  14          2HB       GLU  14  11.477  -9.463  -9.463
  120   2HB   GLU  14          3HB       GLU  14  11.835  -7.799  -7.799
  121   1HG   GLU  14          2HG       GLU  14   9.789  -7.624  -7.624
  122   2HG   GLU  14          3HG       GLU  14   9.362  -9.307  -9.307
  123    H    CYS  15           HN       CYS  15   8.250  -8.464  -8.464
  124    HA   CYS  15           HA       CYS  15   7.088 -10.841 -10.841
  125   1HB   CYS  15          2HB       CYS  15   4.801  -9.463  -9.463
  126   2HB   CYS  15          3HB       CYS  15   5.839  -9.634  -9.634
  127    H    ASP  16           HN       ASP  16   6.197 -12.063 -12.063
  128    HA   ASP  16           HA       ASP  16   5.619 -11.106 -11.106
  129   1HB   ASP  16          2HB       ASP  16   6.253 -13.407 -13.407
  130   2HB   ASP  16          3HB       ASP  16   7.564 -12.560 -12.560
  131    H    SER  17           HN       SER  17   4.275 -13.476 -13.476
  132    HA   SER  17           HA       SER  17   1.736 -12.359 -12.359
  133   1HB   SER  17          2HB       SER  17   0.770 -13.688 -13.688
  134   2HB   SER  17          3HB       SER  17   2.271 -13.019 -13.019
  135    HG   SER  17           HG       SER  17   3.283 -15.005 -15.005
  136    H    ASN  18           HN       ASN  18  -0.039 -13.374 -13.374
  137    HA   ASN  18           HA       ASN  18  -1.249 -14.858 -14.858
  138   1HB   ASN  18          2HB       ASN  18  -0.464 -16.434 -16.434
  139   2HB   ASN  18          3HB       ASN  18   0.720 -17.046 -17.046
  140   1HD2  ASN  18          2HD2      ASN  18  -1.796 -18.643 -18.643
  141   2HD2  ASN  18          1HD2      ASN  18  -0.218 -17.856 -17.856
  142    H    GLU  19           HN       GLU  19   0.466 -13.189 -13.189
  143    HA   GLU  19           HA       GLU  19   1.536 -14.789 -14.789
  144   1HB   GLU  19          2HB       GLU  19   3.260 -14.057 -14.057
  145   2HB   GLU  19          3HB       GLU  19   3.171 -12.464 -12.464
  146   1HG   GLU  19          2HG       GLU  19   5.073 -13.938 -13.938
  147   2HG   GLU  19          3HG       GLU  19   4.119 -13.378 -13.378
  148    H    GLY  20           HN       GLY  20   2.476 -12.820 -12.820
  149   1HA   GLY  20          1HA       GLY  20   0.130 -11.673 -11.673
  150   2HA   GLY  20          2HA       GLY  20   1.813 -11.303 -11.303
  151    H    GLY  21           HN       GLY  21  -0.705 -10.665 -10.665
  152   1HA   GLY  21          1HA       GLY  21  -0.792  -7.921  -7.921
  153   2HA   GLY  21          2HA       GLY  21   0.541  -8.333  -8.333
  154    H    GLU  22           HN       GLU  22  -1.720  -7.101  -7.101
  155    HA   GLU  22           HA       GLU  22  -2.781  -9.073  -9.073
  156   1HB   GLU  22          2HB       GLU  22  -4.302  -7.384  -7.384
  157   2HB   GLU  22          3HB       GLU  22  -4.193  -6.481  -6.481
  158   1HG   GLU  22          2HG       GLU  22  -5.072  -9.375  -9.375
  159   2HG   GLU  22          3HG       GLU  22  -6.174  -8.027  -8.027
  160    H    ARG  23           HN       ARG  23  -3.012  -7.692  -7.692
  161    HA   ARG  23           HA       ARG  23  -0.518  -6.085  -6.085
  162   1HB   ARG  23          2HB       ARG  23  -2.305  -7.578  -7.578
  163   2HB   ARG  23          3HB       ARG  23  -1.850  -5.969  -5.969
  164   1HG   ARG  23          2HG       ARG  23   0.496  -6.369  -6.369
  165   2HG   ARG  23          3HG       ARG  23   0.231  -7.885  -7.885
  166   1HD   ARG  23          2HD       ARG  23   0.851  -8.293  -8.293
  167   2HD   ARG  23          3HD       ARG  23  -0.821  -8.821  -8.821
  168    HE   ARG  23           HE       ARG  23  -0.840  -6.141  -6.141
  169   1HH1  ARG  23          2HH2      ARG  23   0.474  -9.023  -9.023
  170   2HH1  ARG  23          1HH2      ARG  23  -0.965  -9.416  -9.416
  171   1HH2  ARG  23          2HH1      ARG  23  -2.258  -6.083  -6.083
  172   2HH2  ARG  23          1HH1      ARG  23  -2.138  -7.316  -7.316
  173    H    ALA  24           HN       ALA  24  -0.734  -3.842  -3.842
  174    HA   ALA  24           HA       ALA  24  -3.514  -2.686  -2.686
  175   1HB   ALA  24          1HB       ALA  24  -1.215  -1.823  -1.823
  176   2HB   ALA  24          2HB       ALA  24  -2.686  -0.847  -0.847
  177   3HB   ALA  24          3HB       ALA  24  -2.801  -2.437  -2.437
  178    H    TYR  25           HN       TYR  25  -3.065  -0.141  -0.141
  179    HA   TYR  25           HA       TYR  25  -0.629   0.168   0.168
  180   1HB   TYR  25          2HB       TYR  25  -3.375   0.839   0.839
  181   2HB   TYR  25          3HB       TYR  25  -1.907   1.603   1.603
  182    HD1  TYR  25           HD2      TYR  25  -0.152   0.265   0.265
  183    HD2  TYR  25           HD1      TYR  25  -3.837  -1.531  -1.531
  184    HE1  TYR  25           HE2      TYR  25   0.416  -1.804  -1.804
  185    HE2  TYR  25           HE1      TYR  25  -3.393  -3.475  -3.475
  186    HH   TYR  25           HH       TYR  25  -0.182  -4.154  -4.154
  187    H    PHE  26           HN       PHE  26   0.193   2.370   2.370
  188    HA   PHE  26           HA       PHE  26  -1.037   4.171   4.171
  189   1HB   PHE  26          2HB       PHE  26   1.225   2.199   2.199
  190   2HB   PHE  26          3HB       PHE  26   1.140   3.705   3.705
  191    HD1  PHE  26          2HD       PHE  26  -1.028   4.310   4.310
  192    HD2  PHE  26          1HD       PHE  26  -0.039   0.340   0.340
  193    HE1  PHE  26          2HE       PHE  26  -1.756   3.398   3.398
  194    HE2  PHE  26          1HE       PHE  26  -0.933  -0.582  -0.582
  195    HZ   PHE  26           HZ       PHE  26  -1.619   0.928   0.928
  196    H    ARG  27           HN       ARG  27   1.144   5.772   5.772
  197    HA   ARG  27           HA       ARG  27   2.764   6.239   6.239
  198   1HB   ARG  27          2HB       ARG  27   0.693   7.374   7.374
  199   2HB   ARG  27          3HB       ARG  27   0.707   7.981   7.981
  200   1HG   ARG  27          2HG       ARG  27   1.423   9.748   9.748
  201   2HG   ARG  27          3HG       ARG  27   2.682   9.364   9.364
  202   1HD   ARG  27          2HD       ARG  27   3.671   9.605   9.605
  203   2HD   ARG  27          3HD       ARG  27   3.852   7.945   7.945
  204    HE   ARG  27           HE       ARG  27   1.918   7.315   7.315
  205   1HH1  ARG  27          2HH2      ARG  27   3.758  10.292  10.292
  206   2HH1  ARG  27          1HH2      ARG  27   3.419  10.019  10.019
  207   1HH2  ARG  27          2HH1      ARG  27   1.459   7.161   7.161
  208   2HH2  ARG  27          1HH1      ARG  27   2.101   8.354   8.354
  209    H    ASN  28           HN       ASN  28   4.684   6.279   6.279
  210    HA   ASN  28           HA       ASN  28   5.229   7.878   7.878
  211   1HB   ASN  28          2HB       ASN  28   7.524   7.501   7.501
  212   2HB   ASN  28          3HB       ASN  28   6.749   5.916   5.916
  213   1HD2  ASN  28          2HD2      ASN  28   7.792   5.688   5.688
  214   2HD2  ASN  28          1HD2      ASN  28   6.693   5.091   5.091
  215    H    GLY  29           HN       GLY  29   6.239   9.976   9.976
  216   1HA   GLY  29          1HA       GLY  29   4.959  11.444  11.444
  217   2HA   GLY  29          2HA       GLY  29   5.922  12.106  12.106
  218    H    LYS  30           HN       LYS  30   7.175   9.866   9.866
  219    HA   LYS  30           HA       LYS  30   8.869  12.171  12.171
  220   1HB   LYS  30          2HB       LYS  30   9.198   9.232   9.232
  221   2HB   LYS  30          3HB       LYS  30  10.118  10.583  10.583
  222   1HG   LYS  30          2HG       LYS  30  10.760  11.167  11.167
  223   2HG   LYS  30          3HG       LYS  30  10.022   9.621   9.621
  224   1HD   LYS  30          2HD       LYS  30  11.513   8.525   8.525
  225   2HD   LYS  30          3HD       LYS  30  12.270  10.086  10.086
  226   1HE   LYS  30          2HE       LYS  30  13.685   8.732   8.732
  227   2HE   LYS  30          3HE       LYS  30  13.068  10.066  10.066
  228   1HZ   LYS  30          1HZ       LYS  30  11.809   7.377   7.377
  229   2HZ   LYS  30          2HZ       LYS  30  13.074   7.775   7.775
  230   3HZ   LYS  30          3HZ       LYS  30  11.660   8.573   8.573
  231    H    GLY  31           HN       GLY  31   7.386   9.407   9.407
  232   1HA   GLY  31          1HA       GLY  31   5.654  11.170  11.170
  233   2HA   GLY  31          2HA       GLY  31   7.232  11.007  11.007
  234    H    GLY  32           HN       GLY  32   6.119   8.209   8.209
  235   1HA   GLY  32          1HA       GLY  32   4.235   7.395   7.395
  236   2HA   GLY  32          2HA       GLY  32   5.688   6.411   6.411
  237    H    CYS  33           HN       CYS  33   3.424   5.059   5.059
  238    HA   CYS  33           HA       CYS  33   2.764   5.487   5.487
  239   1HB   CYS  33          2HB       CYS  33   1.426   4.002   4.002
  240   2HB   CYS  33          3HB       CYS  33   0.928   3.657   3.657
  241    H    ASP  34           HN       ASP  34   2.839   3.968   3.968
  242    HA   ASP  34           HA       ASP  34   4.599   1.637   1.637
  243   1HB   ASP  34          2HB       ASP  34   3.259   3.045   3.045
  244   2HB   ASP  34          3HB       ASP  34   3.984   1.455   1.455
  245    H    SER  35           HN       SER  35   3.568  -0.166  -0.166
  246    HA   SER  35           HA       SER  35   0.845  -0.670  -0.670
  247   1HB   SER  35          2HB       SER  35   0.918  -2.518  -2.518
  248   2HB   SER  35          3HB       SER  35   1.417  -1.006  -1.006
  249    HG   SER  35           HG       SER  35   2.777  -2.886  -2.886
  250    H    PHE  36           HN       PHE  36   1.898  -3.449  -3.449
  251    HA   PHE  36           HA       PHE  36   2.881  -5.094  -5.094
  252   1HB   PHE  36          2HB       PHE  36   4.818  -4.914  -4.914
  253   2HB   PHE  36          3HB       PHE  36   4.675  -3.629  -3.629
  254    HD1  PHE  36          1HD       PHE  36   4.707  -1.362  -1.362
  255    HD2  PHE  36          2HD       PHE  36   5.840  -4.353  -4.353
  256    HE1  PHE  36          1HE       PHE  36   5.547   0.435   0.435
  257    HE2  PHE  36          2HE       PHE  36   7.161  -2.652  -2.652
  258    HZ   PHE  36           HZ       PHE  36   6.845  -0.241  -0.241
  259    H    TRP  37           HN       TRP  37   3.503  -6.371  -6.371
  260    HA   TRP  37           HA       TRP  37   1.130  -7.140  -7.140
  261   1HB   TRP  37          2HB       TRP  37   4.013  -8.031  -8.031
  262   2HB   TRP  37          3HB       TRP  37   2.556  -8.926  -8.926
  263    HD1  TRP  37           HD1      TRP  37   4.910  -8.235  -8.235
  264    HE1  TRP  37           HE1      TRP  37   4.240  -9.482  -9.482
  265    HE3  TRP  37           HE3      TRP  37   0.209  -9.587  -9.587
  266    HZ2  TRP  37           HZ2      TRP  37   1.871 -10.825 -10.825
  267    HZ3  TRP  37           HZ3      TRP  37  -1.345 -10.295 -10.295
  268    HH2  TRP  37           HH2      TRP  37  -0.495 -11.288 -11.288
  269    H    ILE  38           HN       ILE  38   0.428  -5.959  -5.959
  270    HA   ILE  38           HA       ILE  38   2.397  -4.321  -4.321
  271    HB   ILE  38           HB       ILE  38  -0.295  -4.526  -4.526
  272   1HG1  ILE  38          2HG1      ILE  38   0.180  -2.966  -2.966
  273   2HG1  ILE  38          3HG1      ILE  38  -0.860  -4.359  -4.359
  274   1HG2  ILE  38          1HG2      ILE  38   1.824  -3.140  -3.140
  275   2HG2  ILE  38          2HG2      ILE  38   1.502  -2.193  -2.193
  276   3HG2  ILE  38          3HG2      ILE  38   0.303  -2.252  -2.252
  277   1HD1  ILE  38          1HD1      ILE  38  -2.092  -3.128  -3.128
  278   2HD1  ILE  38          2HD1      ILE  38  -1.173  -1.684  -1.684
  279   3HD1  ILE  38          3HD1      ILE  38  -2.240  -2.462  -2.462
  280    H    CYS  39           HN       CYS  39   3.831  -5.684  -5.684
  281    HA   CYS  39           HA       CYS  39   4.009  -7.884  -7.884
  282   1HB   CYS  39          2HB       CYS  39   5.439  -5.314  -5.314
  283   2HB   CYS  39          3HB       CYS  39   5.711  -6.331  -6.331
  284    HA   PRO  40           HA       PRO  40   1.816  -8.241  -8.241
  285   1HB   PRO  40          2HB       PRO  40   3.579  -9.350  -9.350
  286   2HB   PRO  40          3HB       PRO  40   2.757 -10.207 -10.207
  287   1HG   PRO  40          2HG       PRO  40   5.558  -9.082  -9.082
  288   2HG   PRO  40          3HG       PRO  40   5.013 -10.668 -10.668
  289   1HD   PRO  40          2HD       PRO  40   5.459  -8.587  -8.587
  290   2HD   PRO  40          3HD       PRO  40   4.087  -9.652  -9.652
  291    H    GLU  41           HN       GLU  41   4.806  -6.425  -6.425
  292    HA   GLU  41           HA       GLU  41   4.613  -5.066  -5.066
  293   1HB   GLU  41          2HB       GLU  41   5.715  -4.700  -4.700
  294   2HB   GLU  41          3HB       GLU  41   5.141  -3.180  -3.180
  295   1HG   GLU  41          2HG       GLU  41   6.914  -4.914  -4.914
  296   2HG   GLU  41          3HG       GLU  41   7.605  -3.956  -3.956
  297    H    ASP  42           HN       ASP  42   2.775  -4.453  -4.453
  298    HA   ASP  42           HA       ASP  42   0.694  -2.905  -2.905
  299   1HB   ASP  42          2HB       ASP  42   2.400  -1.940  -1.940
  300   2HB   ASP  42          3HB       ASP  42   0.792  -1.261  -1.261
  301    H    HIS  43           HN       HIS  43  -0.614  -4.984  -4.984
  302    HA   HIS  43           HA       HIS  43  -0.984  -5.332  -5.332
  303   1HB   HIS  43          2HB       HIS  43  -2.863  -5.705  -5.705
  304   2HB   HIS  43          3HB       HIS  43  -3.195  -6.151  -6.151
  305    HD1  HIS  43           HD1      HIS  43  -3.387  -8.554  -8.554
  306    HD2  HIS  43           HD2      HIS  43   0.178  -7.131  -7.131
  307    HE1  HIS  43           HE1      HIS  43  -1.839 -10.583 -10.583
  308    H    THR  44           HN       THR  44  -2.291  -3.163  -3.163
  309    HA   THR  44           HA       THR  44  -3.588  -1.357  -1.357
  310    HB   THR  44           HB       THR  44  -1.682  -0.364  -0.364
  311    HG1  THR  44          1HG       THR  44  -2.570   1.378   1.378
  312   1HG2  THR  44          1HG2      THR  44  -2.759  -1.258  -1.258
  313   2HG2  THR  44          2HG2      THR  44  -1.640   0.092   0.092
  314   3HG2  THR  44          3HG2      THR  44  -1.183  -1.514  -1.514
  315    H    GLY  45           HN       GLY  45  -4.649  -3.833  -3.833
  316   1HA   GLY  45          1HA       GLY  45  -6.389  -4.912  -4.912
  317   2HA   GLY  45          2HA       GLY  45  -7.228  -3.357  -3.357
  318    H    ALA  46           HN       ALA  46  -4.413  -3.320  -3.320
  319    HA   ALA  46           HA       ALA  46  -4.332  -2.462  -2.462
  320   1HB   ALA  46          2HB       ALA  46  -3.441  -4.770  -4.770
  321   2HB   ALA  46          3HB       ALA  46  -5.014  -5.294  -5.294
  322   3HB   ALA  46          1HB       ALA  46  -4.007  -4.160  -4.160
  323    H    ASP  47           HN       ASP  47  -6.137  -1.020  -1.020
  324    HA   ASP  47           HA       ASP  47  -8.673  -1.700  -1.700
  325   1HB   ASP  47          2HB       ASP  47  -8.928  -1.421  -1.421
  326   2HB   ASP  47          3HB       ASP  47  -7.938   0.044   0.044
  327    H    TYR  48           HN       TYR  48  -7.585  -1.045  -1.045
  328    HA   TYR  48           HA       TYR  48  -6.894   1.850   1.850
  329   1HB   TYR  48          2HB       TYR  48  -5.107  -0.577  -0.577
  330   2HB   TYR  48          3HB       TYR  48  -4.699   1.017   1.017
  331    HD1  TYR  48           HD2      TYR  48  -4.740   3.013   3.013
  332    HD2  TYR  48           HD1      TYR  48  -4.402  -1.089  -1.089
  333    HE1  TYR  48           HE2      TYR  48  -4.293   3.728   3.728
  334    HE2  TYR  48           HE1      TYR  48  -4.095  -0.344  -0.344
  335    HH   TYR  48           HH       TYR  48  -3.413   3.041   3.041
  336    H    TYR  49           HN       TYR  49  -5.918   2.221   2.221
  337    HA   TYR  49           HA       TYR  49  -7.758   1.717   1.717
  338   1HB   TYR  49          2HB       TYR  49  -4.773   2.268   2.268
  339   2HB   TYR  49          3HB       TYR  49  -5.953   2.571   2.571
  340    HD1  TYR  49           HD1      TYR  49  -7.905   4.262   4.262
  341    HD2  TYR  49           HD2      TYR  49  -4.139   3.949   3.949
  342    HE1  TYR  49           HE1      TYR  49  -8.404   6.342   6.342
  343    HE2  TYR  49           HE2      TYR  49  -4.624   6.043   6.043
  344    HH   TYR  49           HH       TYR  49  -6.794   7.095   7.095
  345    H    SER  50           HN       SER  50  -7.924  -0.084  -0.084
  346    HA   SER  50           HA       SER  50  -6.276  -2.442  -2.442
  347   1HB   SER  50          2HB       SER  50  -8.107  -3.678  -3.678
  348   2HB   SER  50          3HB       SER  50  -8.650  -2.711  -2.711
  349    HG   SER  50           HG       SER  50  -9.285  -1.068  -1.068
  350    H    SER  51           HN       SER  51  -6.244  -0.069  -0.069
  351    HA   SER  51           HA       SER  51  -4.477  -1.763  -1.763
  352   1HB   SER  51          2HB       SER  51  -5.550  -0.734  -0.734
  353   2HB   SER  51          3HB       SER  51  -6.297  -2.132  -2.132
  354    HG   SER  51           HG       SER  51  -7.142   0.597   0.597
  355    H    TYR  52           HN       TYR  52  -2.960  -0.577  -0.577
  356    HA   TYR  52           HA       TYR  52  -1.754   1.415   1.415
  357   1HB   TYR  52          2HB       TYR  52  -0.520  -0.183  -0.183
  358   2HB   TYR  52          3HB       TYR  52  -1.126   0.707   0.707
  359    HD1  TYR  52           HD1      TYR  52  -0.408   3.014   3.014
  360    HD2  TYR  52           HD2      TYR  52   1.506   0.544   0.544
  361    HE1  TYR  52           HE1      TYR  52   1.576   4.462   4.462
  362    HE2  TYR  52           HE2      TYR  52   3.513   1.972   1.972
  363    HH   TYR  52           HH       TYR  52   3.771   4.747   4.747
  364    H    ARG  53           HN       ARG  53  -3.243   1.727   1.727
  365    HA   ARG  53           HA       ARG  53  -2.935   4.497   4.497
  366   1HB   ARG  53          2HB       ARG  53  -4.625   4.553   4.553
  367   2HB   ARG  53          3HB       ARG  53  -3.483   3.222   3.222
  368   1HG   ARG  53          2HG       ARG  53  -5.449   2.255   2.255
  369   2HG   ARG  53          3HG       ARG  53  -5.308   1.737   1.737
  370   1HD   ARG  53          2HD       ARG  53  -6.950   3.472   3.472
  371   2HD   ARG  53          3HD       ARG  53  -6.921   4.140   4.140
  372    HE   ARG  53           HE       ARG  53  -7.718   1.656   1.656
  373   1HH1  ARG  53          2HH2      ARG  53  -8.846   3.131   3.131
  374   2HH1  ARG  53          1HH2      ARG  53 -10.519   3.208   3.208
  375   1HH2  ARG  53          2HH1      ARG  53  -9.789   1.283   1.283
  376   2HH2  ARG  53          1HH1      ARG  53 -11.106   1.994   1.994
  377    H    ASP  54           HN       ASP  54  -5.390   2.683   2.683
  378    HA   ASP  54           HA       ASP  54  -7.146   4.836   4.836
  379   1HB   ASP  54          2HB       ASP  54  -6.512   2.440   2.440
  380   2HB   ASP  54          3HB       ASP  54  -7.710   3.673   3.673
  381    H    CYS  55           HN       CYS  55  -4.501   3.582   3.582
  382    HA   CYS  55           HA       CYS  55  -4.348   5.663   5.663
  383   1HB   CYS  55          2HB       CYS  55  -2.923   3.862   3.862
  384   2HB   CYS  55          3HB       CYS  55  -2.204   3.882   3.882
  385    H    PHE  56           HN       PHE  56  -2.659   5.443   5.443
  386    HA   PHE  56           HA       PHE  56  -1.249   7.891   7.891
  387   1HB   PHE  56          2HB       PHE  56  -1.109   5.925   5.925
  388   2HB   PHE  56          3HB       PHE  56  -2.389   6.756   6.756
  389    HD1  PHE  56          2HD       PHE  56  -1.921   9.347   9.347
  390    HD2  PHE  56          1HD       PHE  56   1.112   6.401   6.401
  391    HE1  PHE  56          2HE       PHE  56  -0.282  10.627  10.627
  392    HE2  PHE  56          1HE       PHE  56   2.732   7.676   7.676
  393    HZ   PHE  56           HZ       PHE  56   2.044   9.819   9.819
  394    H    ASN  57           HN       ASN  57  -4.524   7.295   7.295
  395    HA   ASN  57           HA       ASN  57  -4.712  10.182  10.182
  396   1HB   ASN  57          2HB       ASN  57  -6.619   7.883   7.883
  397   2HB   ASN  57          3HB       ASN  57  -6.775   9.548   9.548
  398   1HD2  ASN  57          2HD2      ASN  57  -4.961   7.266   7.266
  399   2HD2  ASN  57          1HD2      ASN  57  -6.429   7.003   7.003
  400    H    ALA  58           HN       ALA  58  -5.463   8.193   8.193
  401    HA   ALA  58           HA       ALA  58  -7.741   9.808   9.808
  402   1HB   ALA  58          3HB       ALA  58  -6.091   7.632   7.632
  403   2HB   ALA  58          1HB       ALA  58  -7.512   8.437   8.437
  404   3HB   ALA  58          2HB       ALA  58  -7.692   7.432   7.432
  405    H    CYS  59           HN       CYS  59  -4.254   9.344   9.344
  406    HA   CYS  59           HA       CYS  59  -4.412  11.543  11.543
  407   1HB   CYS  59          2HB       CYS  59  -3.802   9.342   9.342
  408   2HB   CYS  59          3HB       CYS  59  -2.393   9.316   9.316
  409    H    ILE  60           HN       ILE  60  -2.832  10.799  10.799
  410    HA   ILE  60           HA       ILE  60  -0.857  12.975  12.975
  411    HB   ILE  60           HB       ILE  60  -0.979  11.208  11.208
  412   1HG1  ILE  60          2HG1      ILE  60  -0.489   9.607   9.607
  413   2HG1  ILE  60          3HG1      ILE  60   1.004  10.148  10.148
  414   1HG2  ILE  60          2HG2      ILE  60   0.185  13.460  13.460
  415   2HG2  ILE  60          3HG2      ILE  60   1.291  12.858  12.858
  416   3HG2  ILE  60          1HG2      ILE  60   1.196  12.057  12.057
  417   1HD1  ILE  60          2HD1      ILE  60   0.113  11.247  11.247
  418   2HD1  ILE  60          3HD1      ILE  60   0.687   9.627   9.627
  419   3HD1  ILE  60          1HD1      ILE  60   1.749  10.997  10.997

  Start of MODEL    3
    1    H    TYR   1           HN       TYR   1  -3.603   3.126   3.126
    2    HA   TYR   1           HA       TYR   1  -2.266   4.956   4.956
    3   1HB   TYR   1          2HB       TYR   1  -0.186   4.200   4.200
    4   2HB   TYR   1          3HB       TYR   1  -0.885   4.461   4.461
    5    HD1  TYR   1           HD1      TYR   1  -1.013   6.800   6.800
    6    HD2  TYR   1           HD2      TYR   1   0.794   5.949   5.949
    7    HE1  TYR   1           HE1      TYR   1  -0.081   9.068   9.068
    8    HE2  TYR   1           HE2      TYR   1   1.866   8.166   8.166
    9    HH   TYR   1           HH       TYR   1   1.997  10.089  10.089
   10    H    ASN   2           HN       ASN   2  -2.963   7.205   7.205
   11    HA   ASN   2           HA       ASN   2  -5.358   7.112   7.112
   12   1HB   ASN   2          2HB       ASN   2  -3.943   9.442   9.442
   13   2HB   ASN   2          3HB       ASN   2  -5.461   9.549   9.549
   14   1HD2  ASN   2          2HD2      ASN   2  -5.500   7.993   7.993
   15   2HD2  ASN   2          1HD2      ASN   2  -4.012   8.572   8.572
   16    H    ARG   3           HN       ARG   3  -2.158   8.738   8.738
   17    HA   ARG   3           HA       ARG   3  -2.765   9.470   9.470
   18   1HB   ARG   3          2HB       ARG   3  -1.585  11.014  11.014
   19   2HB   ARG   3          3HB       ARG   3  -0.306   9.831   9.831
   20   1HG   ARG   3          2HG       ARG   3   0.450   9.869   9.869
   21   2HG   ARG   3          3HG       ARG   3  -1.055  10.528  10.528
   22   1HD   ARG   3          2HD       ARG   3   0.878  12.085  12.085
   23   2HD   ARG   3          3HD       ARG   3  -0.609  12.681  12.681
   24    HE   ARG   3           HE       ARG   3   0.709  11.728  11.728
   25   1HH1  ARG   3          2HH2      ARG   3   1.679  13.904  13.904
   26   2HH1  ARG   3          1HH2      ARG   3   3.015  14.589  14.589
   27   1HH2  ARG   3          2HH1      ARG   3   1.952  13.152  13.152
   28   2HH2  ARG   3          1HH1      ARG   3   2.928  14.374  14.374
   29    H    LEU   4           HN       LEU   4  -3.334   7.315   7.315
   30    HA   LEU   4           HA       LEU   4  -1.345   5.243   5.243
   31   1HB   LEU   4          2HB       LEU   4  -3.911   5.672   5.672
   32   2HB   LEU   4          3HB       LEU   4  -2.937   4.258   4.258
   33    HG   LEU   4           HG       LEU   4  -4.469   5.271   5.271
   34   1HD1  LEU   4          2HD1      LEU   4  -5.802   4.209   4.209
   35   2HD1  LEU   4          3HD1      LEU   4  -4.822   2.751   2.751
   36   3HD1  LEU   4          1HD1      LEU   4  -5.838   3.272   3.272
   37   1HD2  LEU   4          2HD2      LEU   4  -2.772   2.736   2.736
   38   2HD2  LEU   4          3HD2      LEU   4  -2.406   4.114   4.114
   39   3HD2  LEU   4          1HD2      LEU   4  -3.843   3.130   3.130
   40    H    CYS   5           HN       CYS   5  -1.928   8.036   8.036
   41    HA   CYS   5           HA       CYS   5  -0.871   6.975   6.975
   42   1HB   CYS   5          2HB       CYS   5  -1.823   9.183   9.183
   43   2HB   CYS   5          3HB       CYS   5  -0.602   9.787   9.787
   44    H    ILE   6           HN       ILE   6   0.949   8.565   8.565
   45    HA   ILE   6           HA       ILE   6   3.548   7.739   7.739
   46    HB   ILE   6           HB       ILE   6   2.213   8.778   8.778
   47   1HG1  ILE   6          2HG1      ILE   6   3.108  10.909  10.909
   48   2HG1  ILE   6          3HG1      ILE   6   3.939  10.248  10.248
   49   1HG2  ILE   6          1HG2      ILE   6   5.175   8.587   8.587
   50   2HG2  ILE   6          2HG2      ILE   6   4.542   9.402   9.402
   51   3HG2  ILE   6          3HG2      ILE   6   4.378   7.652   7.652
   52   1HD1  ILE   6          3HD1      ILE   6   0.939  10.473  10.473
   53   2HD1  ILE   6          1HD1      ILE   6   1.991  11.748  11.748
   54   3HD1  ILE   6          2HD1      ILE   6   1.969  10.204  10.204
   55    H    LYS   7           HN       LYS   7   3.978   5.555   5.555
   56    HA   LYS   7           HA       LYS   7   2.949   3.894   3.894
   57   1HB   LYS   7          2HB       LYS   7   3.151   2.718   2.718
   58   2HB   LYS   7          3HB       LYS   7   4.724   3.254   3.254
   59   1HG   LYS   7          2HG       LYS   7   4.599   1.766   1.766
   60   2HG   LYS   7          3HG       LYS   7   4.148   0.865   0.865
   61   1HD   LYS   7          2HD       LYS   7   6.287   1.378   1.378
   62   2HD   LYS   7          3HD       LYS   7   6.834   2.322   2.322
   63   1HE   LYS   7          2HE       LYS   7   6.864   0.346   0.346
   64   2HE   LYS   7          3HE       LYS   7   5.993  -0.597  -0.597
   65   1HZ   LYS   7          2HZ       LYS   7   8.159  -0.082  -0.082
   66   2HZ   LYS   7          3HZ       LYS   7   8.817  -0.043  -0.043
   67   3HZ   LYS   7          1HZ       LYS   7   8.011  -1.332  -1.332
   68    HA   PRO   8           HA       PRO   8   7.147   3.634   3.634
   69   1HB   PRO   8          2HB       PRO   8   9.144   5.352   5.352
   70   2HB   PRO   8          3HB       PRO   8   8.691   3.883   3.883
   71   1HG   PRO   8          2HG       PRO   8   7.933   6.744   6.744
   72   2HG   PRO   8          3HG       PRO   8   8.392   5.453   5.453
   73   1HD   PRO   8          2HD       PRO   8   5.728   6.186   6.186
   74   2HD   PRO   8          3HD       PRO   8   6.156   4.557   4.557
   75    H    ARG   9           HN       ARG   9   5.611   4.468   4.468
   76    HA   ARG   9           HA       ARG   9   6.797   6.738   6.738
   77   1HB   ARG   9          2HB       ARG   9   4.817   7.302   7.302
   78   2HB   ARG   9          3HB       ARG   9   3.809   6.768   6.768
   79   1HG   ARG   9          2HG       ARG   9   4.065   9.176   9.176
   80   2HG   ARG   9          3HG       ARG   9   4.816   8.515   8.515
   81   1HD   ARG   9          2HD       ARG   9   7.034   8.915   8.915
   82   2HD   ARG   9          3HD       ARG   9   6.435   8.959   8.959
   83    HE   ARG   9           HE       ARG   9   5.797  11.088  11.088
   84   1HH1  ARG   9          2HH2      ARG   9   7.882  10.273  10.273
   85   2HH1  ARG   9          1HH2      ARG   9   7.380  11.619  11.619
   86   1HH2  ARG   9          2HH1      ARG   9   5.760  13.266  13.266
   87   2HH2  ARG   9          1HH1      ARG   9   6.851  13.511  13.511
   88    H    ASP  10           HN       ASP  10   5.424   3.734   3.734
   89    HA   ASP  10           HA       ASP  10   6.264   3.435   3.435
   90   1HB   ASP  10          2HB       ASP  10   4.261   2.392   2.392
   91   2HB   ASP  10          3HB       ASP  10   4.280   4.149   4.149
   92    H    TRP  11           HN       TRP  11   3.696   1.679   1.679
   93    HA   TRP  11           HA       TRP  11   4.222  -0.607  -0.607
   94   1HB   TRP  11          2HB       TRP  11   2.632   0.860   0.860
   95   2HB   TRP  11          3HB       TRP  11   3.736   1.859   1.859
   96    HD1  TRP  11           HD1      TRP  11   5.219  -0.535  -0.535
   97    HE1  TRP  11           HE1      TRP  11   3.917  -1.724  -1.724
   98    HE3  TRP  11           HE3      TRP  11   0.594   0.568   0.568
   99    HZ2  TRP  11           HZ2      TRP  11   1.285  -2.511  -2.511
  100    HZ3  TRP  11           HZ3      TRP  11  -1.433  -0.735  -0.735
  101    HH2  TRP  11           HH2      TRP  11  -1.086  -1.963  -1.963
  102    H    ILE  12           HN       ILE  12   6.114  -1.665  -1.665
  103    HA   ILE  12           HA       ILE  12   8.577  -0.606  -0.606
  104    HB   ILE  12           HB       ILE  12   7.670  -2.365  -2.365
  105   1HG1  ILE  12          2HG1      ILE  12   8.653  -0.034  -0.034
  106   2HG1  ILE  12          3HG1      ILE  12   9.158  -1.280  -1.280
  107   1HG2  ILE  12          2HG2      ILE  12  10.267  -3.211  -3.211
  108   2HG2  ILE  12          3HG2      ILE  12   9.630  -3.595  -3.595
  109   3HG2  ILE  12          1HG2      ILE  12   8.746  -4.141  -4.141
  110   1HD1  ILE  12          2HD1      ILE  12  10.712  -0.489  -0.489
  111   2HD1  ILE  12          3HD1      ILE  12  11.026   0.178   0.178
  112   3HD1  ILE  12          1HD1      ILE  12  11.273  -1.551  -1.551
  113    H    ASP  13           HN       ASP  13   6.232  -2.099  -2.099
  114    HA   ASP  13           HA       ASP  13   6.878  -4.546  -4.546
  115   1HB   ASP  13          2HB       ASP  13   5.460  -2.739  -2.739
  116   2HB   ASP  13          3HB       ASP  13   5.349  -4.496  -4.496
  117    H    GLU  14           HN       GLU  14   8.570  -5.514  -5.514
  118    HA   GLU  14           HA       GLU  14   9.845  -4.590  -4.590
  119   1HB   GLU  14          2HB       GLU  14  10.871  -6.384  -6.384
  120   2HB   GLU  14          3HB       GLU  14  11.763  -5.924  -5.924
  121   1HG   GLU  14          2HG       GLU  14  10.616  -3.598  -3.598
  122   2HG   GLU  14          3HG       GLU  14  11.787  -4.513  -4.513
  123    H    CYS  15           HN       CYS  15   8.290  -7.223  -7.223
  124    HA   CYS  15           HA       CYS  15   8.167  -9.437  -9.437
  125   1HB   CYS  15          2HB       CYS  15   5.643  -9.366  -9.366
  126   2HB   CYS  15          3HB       CYS  15   6.657  -9.241  -9.241
  127    H    ASP  16           HN       ASP  16   7.406 -10.037 -10.037
  128    HA   ASP  16           HA       ASP  16   6.179  -7.986  -7.986
  129   1HB   ASP  16          2HB       ASP  16   8.692  -8.702  -8.702
  130   2HB   ASP  16          3HB       ASP  16   7.995 -10.173 -10.173
  131    H    SER  17           HN       SER  17   5.825  -9.930  -9.930
  132    HA   SER  17           HA       SER  17   3.260 -10.622 -10.622
  133   1HB   SER  17          2HB       SER  17   4.408 -12.235 -12.235
  134   2HB   SER  17          3HB       SER  17   2.969 -11.264 -11.264
  135    HG   SER  17           HG       SER  17   4.444 -10.223 -10.223
  136    H    ASN  18           HN       ASN  18   2.116 -12.600 -12.600
  137    HA   ASN  18           HA       ASN  18   1.684 -14.431 -14.431
  138   1HB   ASN  18          2HB       ASN  18   2.646 -16.460 -16.460
  139   2HB   ASN  18          3HB       ASN  18   2.540 -15.349 -15.349
  140   1HD2  ASN  18          2HD2      ASN  18   6.274 -16.464 -16.464
  141   2HD2  ASN  18          1HD2      ASN  18   4.924 -16.435 -16.435
  142    H    GLU  19           HN       GLU  19   3.718 -12.562 -12.562
  143    HA   GLU  19           HA       GLU  19   4.300 -14.511 -14.511
  144   1HB   GLU  19          2HB       GLU  19   5.699 -12.311 -12.311
  145   2HB   GLU  19          3HB       GLU  19   4.514 -11.537 -11.537
  146   1HG   GLU  19          2HG       GLU  19   5.078 -13.423 -13.423
  147   2HG   GLU  19          3HG       GLU  19   6.372 -13.874 -13.874
  148    H    GLY  20           HN       GLY  20   3.347 -12.653 -12.653
  149   1HA   GLY  20          1HA       GLY  20   0.567 -13.555 -13.555
  150   2HA   GLY  20          2HA       GLY  20   1.480 -12.719 -12.719
  151    H    GLY  21           HN       GLY  21   0.460 -11.967 -11.967
  152   1HA   GLY  21          1HA       GLY  21  -0.917  -9.483  -9.483
  153   2HA   GLY  21          2HA       GLY  21   0.543  -9.356  -9.356
  154    H    GLU  22           HN       GLU  22  -2.368  -8.776  -8.776
  155    HA   GLU  22           HA       GLU  22  -2.464 -10.028 -10.028
  156   1HB   GLU  22          2HB       GLU  22  -4.636  -9.968  -9.968
  157   2HB   GLU  22          3HB       GLU  22  -4.505  -8.217  -8.217
  158   1HG   GLU  22          2HG       GLU  22  -4.825  -7.817  -7.817
  159   2HG   GLU  22          3HG       GLU  22  -4.371  -9.489  -9.489
  160    H    ARG  23           HN       ARG  23  -2.926  -8.176  -8.176
  161    HA   ARG  23           HA       ARG  23  -0.698  -6.414  -6.414
  162   1HB   ARG  23          2HB       ARG  23  -2.541  -7.268  -7.268
  163   2HB   ARG  23          3HB       ARG  23  -2.382  -5.501  -5.501
  164   1HG   ARG  23          2HG       ARG  23   0.091  -5.740  -5.740
  165   2HG   ARG  23          3HG       ARG  23  -0.125  -7.456  -7.456
  166   1HD   ARG  23          2HD       ARG  23  -0.954  -7.467  -7.467
  167   2HD   ARG  23          3HD       ARG  23  -1.186  -5.696  -5.696
  168    HE   ARG  23           HE       ARG  23   1.536  -6.271  -6.271
  169   1HH1  ARG  23          2HH2      ARG  23  -0.910  -6.036  -6.036
  170   2HH1  ARG  23          1HH2      ARG  23   0.138  -5.374  -5.374
  171   1HH2  ARG  23          2HH1      ARG  23   3.058  -5.815  -5.815
  172   2HH2  ARG  23          1HH1      ARG  23   2.464  -5.051  -5.051
  173    H    ALA  24           HN       ALA  24  -0.833  -4.101  -4.101
  174    HA   ALA  24           HA       ALA  24  -3.335  -2.706  -2.706
  175   1HB   ALA  24          1HB       ALA  24  -2.649  -3.246  -3.246
  176   2HB   ALA  24          2HB       ALA  24  -1.114  -2.414  -2.414
  177   3HB   ALA  24          3HB       ALA  24  -2.663  -1.529  -1.529
  178    H    TYR  25           HN       TYR  25  -2.499  -0.139  -0.139
  179    HA   TYR  25           HA       TYR  25  -0.187   0.148   0.148
  180   1HB   TYR  25          2HB       TYR  25  -3.059   0.872   0.872
  181   2HB   TYR  25          3HB       TYR  25  -1.699   1.544   1.544
  182    HD1  TYR  25           HD1      TYR  25  -3.620  -1.551  -1.551
  183    HD2  TYR  25           HD2      TYR  25  -0.440   0.249   0.249
  184    HE1  TYR  25           HE1      TYR  25  -3.590  -3.516  -3.516
  185    HE2  TYR  25           HE2      TYR  25  -0.430  -1.709  -1.709
  186    HH   TYR  25           HH       TYR  25  -2.599  -4.516  -4.516
  187    H    PHE  26           HN       PHE  26   1.015   1.734   1.734
  188    HA   PHE  26           HA       PHE  26   0.063   3.908   3.908
  189   1HB   PHE  26          2HB       PHE  26   2.751   2.468   2.468
  190   2HB   PHE  26          3HB       PHE  26   2.189   3.712   3.712
  191    HD1  PHE  26          1HD       PHE  26  -0.750   2.385   2.385
  192    HD2  PHE  26          2HD       PHE  26   3.259   1.026   1.026
  193    HE1  PHE  26          1HE       PHE  26  -1.574   0.164   0.164
  194    HE2  PHE  26          2HE       PHE  26   2.318  -0.783  -0.783
  195    HZ   PHE  26           HZ       PHE  26  -0.116  -1.360  -1.360
  196    H    ARG  27           HN       ARG  27   2.266   5.545   5.545
  197    HA   ARG  27           HA       ARG  27   3.134   5.712   5.712
  198   1HB   ARG  27          2HB       ARG  27   1.680   7.950   7.950
  199   2HB   ARG  27          3HB       ARG  27   2.314   8.039   8.039
  200   1HG   ARG  27          2HG       ARG  27   0.063   7.954   7.954
  201   2HG   ARG  27          3HG       ARG  27   0.545   6.301   6.301
  202   1HD   ARG  27          2HD       ARG  27  -0.527   5.580   5.580
  203   2HD   ARG  27          3HD       ARG  27  -0.389   7.196   7.196
  204    HE   ARG  27           HE       ARG  27  -2.127   7.042   7.042
  205   1HH1  ARG  27          2HH2      ARG  27  -2.144   6.009   6.009
  206   2HH1  ARG  27          1HH2      ARG  27  -3.609   6.938   6.938
  207   1HH2  ARG  27          2HH1      ARG  27  -4.309   7.466   7.466
  208   2HH2  ARG  27          1HH1      ARG  27  -5.011   7.304   7.304
  209    H    ASN  28           HN       ASN  28   4.944   5.187   5.187
  210    HA   ASN  28           HA       ASN  28   6.438   7.426   7.426
  211   1HB   ASN  28          2HB       ASN  28   7.507   6.131   6.131
  212   2HB   ASN  28          3HB       ASN  28   5.777   5.868   5.868
  213   1HD2  ASN  28          2HD2      ASN  28   7.939   2.578   2.578
  214   2HD2  ASN  28          1HD2      ASN  28   8.500   4.127   4.127
  215    H    GLY  29           HN       GLY  29   8.871   6.543   6.543
  216   1HA   GLY  29          1HA       GLY  29  10.783   6.036   6.036
  217   2HA   GLY  29          2HA       GLY  29   9.840   5.323   5.323
  218    H    LYS  30           HN       LYS  30   8.074   7.829   7.829
  219    HA   LYS  30           HA       LYS  30   9.679   9.788   9.788
  220   1HB   LYS  30          2HB       LYS  30   7.716   7.975   7.975
  221   2HB   LYS  30          3HB       LYS  30   8.582   9.352   9.352
  222   1HG   LYS  30          2HG       LYS  30  10.746   8.137   8.137
  223   2HG   LYS  30          3HG       LYS  30   9.776   6.717   6.717
  224   1HD   LYS  30          2HD       LYS  30   8.687   6.671   6.671
  225   2HD   LYS  30          3HD       LYS  30   9.562   8.141   8.141
  226   1HE   LYS  30          2HE       LYS  30  10.733   6.272   6.272
  227   2HE   LYS  30          3HE       LYS  30  11.728   6.953   6.953
  228   1HZ   LYS  30          3HZ       LYS  30  10.718   5.084   5.084
  229   2HZ   LYS  30          1HZ       LYS  30  10.180   4.440   4.440
  230   3HZ   LYS  30          2HZ       LYS  30  11.807   4.667   4.667
  231    H    GLY  31           HN       GLY  31   6.499   8.423   8.423
  232   1HA   GLY  31          1HA       GLY  31   4.456   9.737   9.737
  233   2HA   GLY  31          2HA       GLY  31   5.187  11.096  11.096
  234    H    GLY  32           HN       GLY  32   5.008   7.546   7.546
  235   1HA   GLY  32          1HA       GLY  32   3.325   7.622   7.622
  236   2HA   GLY  32          2HA       GLY  32   5.011   7.098   7.098
  237    H    CYS  33           HN       CYS  33   2.548   5.348   5.348
  238    HA   CYS  33           HA       CYS  33   2.796   4.156   4.156
  239   1HB   CYS  33          2HB       CYS  33   1.116   3.076   3.076
  240   2HB   CYS  33          3HB       CYS  33   0.873   2.679   2.679
  241    H    ASP  34           HN       ASP  34   3.836   2.395   2.395
  242    HA   ASP  34           HA       ASP  34   4.831   0.654   0.654
  243   1HB   ASP  34          2HB       ASP  34   6.402   1.586   1.586
  244   2HB   ASP  34          3HB       ASP  34   6.870   0.240   0.240
  245    H    SER  35           HN       SER  35   2.584   0.022   0.022
  246    HA   SER  35           HA       SER  35   1.019  -0.882  -0.882
  247   1HB   SER  35          2HB       SER  35   1.780  -2.563  -2.563
  248   2HB   SER  35          3HB       SER  35   2.844  -3.273  -3.273
  249    HG   SER  35           HG       SER  35   0.201  -2.945  -2.945
  250    H    PHE  36           HN       PHE  36   1.768  -3.321  -3.321
  251    HA   PHE  36           HA       PHE  36   3.626  -3.252  -3.252
  252   1HB   PHE  36          2HB       PHE  36   1.818  -1.198  -1.198
  253   2HB   PHE  36          3HB       PHE  36   1.596  -2.589  -2.589
  254    HD1  PHE  36          1HD       PHE  36   4.236  -0.282  -0.282
  255    HD2  PHE  36          2HD       PHE  36   3.246  -3.348  -3.348
  256    HE1  PHE  36          1HE       PHE  36   6.558  -0.291  -0.291
  257    HE2  PHE  36          2HE       PHE  36   5.645  -3.718  -3.718
  258    HZ   PHE  36           HZ       PHE  36   7.288  -2.133  -2.133
  259    H    TRP  37           HN       TRP  37   3.340  -4.707  -4.707
  260    HA   TRP  37           HA       TRP  37   1.168  -6.702  -6.702
  261   1HB   TRP  37          2HB       TRP  37   4.203  -7.069  -7.069
  262   2HB   TRP  37          3HB       TRP  37   2.997  -8.350  -8.350
  263    HD1  TRP  37           HD1      TRP  37   4.949  -6.077  -6.077
  264    HE1  TRP  37           HE1      TRP  37   4.444  -6.618  -6.618
  265    HE3  TRP  37           HE3      TRP  37   1.011  -9.243  -9.243
  266    HZ2  TRP  37           HZ2      TRP  37   2.447  -8.165  -8.165
  267    HZ3  TRP  37           HZ3      TRP  37  -0.086 -10.289 -10.289
  268    HH2  TRP  37           HH2      TRP  37   0.662  -9.839  -9.839
  269    H    ILE  38           HN       ILE  38   0.224  -6.525  -6.525
  270    HA   ILE  38           HA       ILE  38   1.768  -4.876  -4.876
  271    HB   ILE  38           HB       ILE  38  -0.885  -6.271  -6.271
  272   1HG1  ILE  38          2HG1      ILE  38  -0.579  -3.570  -3.570
  273   2HG1  ILE  38          3HG1      ILE  38  -1.120  -5.012  -5.012
  274   1HG2  ILE  38          3HG2      ILE  38   0.656  -3.946  -3.946
  275   2HG2  ILE  38          1HG2      ILE  38  -1.063  -4.154  -4.154
  276   3HG2  ILE  38          2HG2      ILE  38   0.083  -5.395  -5.395
  277   1HD1  ILE  38          1HD1      ILE  38  -3.035  -5.250  -5.250
  278   2HD1  ILE  38          2HD1      ILE  38  -2.639  -3.674  -3.674
  279   3HD1  ILE  38          3HD1      ILE  38  -3.075  -3.782  -3.782
  280    H    CYS  39           HN       CYS  39   2.960  -5.646  -5.646
  281    HA   CYS  39           HA       CYS  39   3.544  -8.463  -8.463
  282   1HB   CYS  39          2HB       CYS  39   4.235  -5.927  -5.927
  283   2HB   CYS  39          3HB       CYS  39   4.521  -7.419  -7.419
  284    HA   PRO  40           HA       PRO  40   0.310  -9.471  -9.471
  285   1HB   PRO  40          2HB       PRO  40   1.493 -11.319 -11.319
  286   2HB   PRO  40          3HB       PRO  40   0.926 -11.627 -11.627
  287   1HG   PRO  40          2HG       PRO  40   3.724 -11.187 -11.187
  288   2HG   PRO  40          3HG       PRO  40   3.144 -12.280 -12.280
  289   1HD   PRO  40          2HD       PRO  40   4.302  -9.782  -9.782
  290   2HD   PRO  40          3HD       PRO  40   3.176 -10.543 -10.543
  291    H    GLU  41           HN       GLU  41   3.490  -8.535  -8.535
  292    HA   GLU  41           HA       GLU  41   2.465  -8.111  -8.111
  293   1HB   GLU  41          2HB       GLU  41   4.846  -8.452  -8.452
  294   2HB   GLU  41          3HB       GLU  41   4.926  -6.786  -6.786
  295   1HG   GLU  41          2HG       GLU  41   4.609  -5.890  -5.890
  296   2HG   GLU  41          3HG       GLU  41   3.910  -7.398  -7.398
  297    H    ASP  42           HN       ASP  42   2.874  -5.699  -5.699
  298    HA   ASP  42           HA       ASP  42   1.847  -3.585  -3.585
  299   1HB   ASP  42          2HB       ASP  42   3.206  -3.595  -3.595
  300   2HB   ASP  42          3HB       ASP  42   2.247  -2.211  -2.211
  301    H    HIS  43           HN       HIS  43   0.066  -4.951  -4.951
  302    HA   HIS  43           HA       HIS  43  -2.029  -4.877  -4.877
  303   1HB   HIS  43          2HB       HIS  43  -1.263  -6.604  -6.604
  304   2HB   HIS  43          3HB       HIS  43  -2.847  -5.974  -5.974
  305    HD1  HIS  43           HD1      HIS  43  -4.626  -7.634  -7.634
  306    HD2  HIS  43           HD2      HIS  43  -1.335  -6.985  -6.985
  307    HE1  HIS  43           HE1      HIS  43  -5.230  -8.695  -8.695
  308    H    THR  44           HN       THR  44  -1.780  -2.670  -2.670
  309    HA   THR  44           HA       THR  44  -2.682  -1.045  -1.045
  310    HB   THR  44           HB       THR  44  -0.714  -0.519  -0.519
  311    HG1  THR  44          1HG       THR  44  -1.345   1.219   1.219
  312   1HG2  THR  44          1HG2      THR  44  -2.862   0.017   0.017
  313   2HG2  THR  44          2HG2      THR  44  -1.201   0.618   0.618
  314   3HG2  THR  44          3HG2      THR  44  -1.508  -1.127  -1.127
  315    H    GLY  45           HN       GLY  45  -4.587  -2.886  -2.886
  316   1HA   GLY  45          1HA       GLY  45  -6.642  -2.753  -2.753
  317   2HA   GLY  45          2HA       GLY  45  -6.958  -1.487  -1.487
  318    H    ALA  46           HN       ALA  46  -5.295  -2.063  -2.063
  319    HA   ALA  46           HA       ALA  46  -6.462   0.419   0.419
  320   1HB   ALA  46          2HB       ALA  46  -4.125   0.930   0.930
  321   2HB   ALA  46          3HB       ALA  46  -3.586  -0.487  -0.487
  322   3HB   ALA  46          1HB       ALA  46  -4.376   0.877   0.877
  323    H    ASP  47           HN       ASP  47  -7.900  -0.716  -0.716
  324    HA   ASP  47           HA       ASP  47  -7.368  -3.200  -3.200
  325   1HB   ASP  47          2HB       ASP  47  -9.652  -2.562  -2.562
  326   2HB   ASP  47          3HB       ASP  47  -9.739  -1.326  -1.326
  327    H    TYR  48           HN       TYR  48  -7.511   0.050   0.050
  328    HA   TYR  48           HA       TYR  48  -6.552   0.984   0.984
  329   1HB   TYR  48          2HB       TYR  48  -5.014  -1.615  -1.615
  330   2HB   TYR  48          3HB       TYR  48  -4.769  -0.563  -0.563
  331    HD1  TYR  48           HD2      TYR  48  -4.427   1.956   1.956
  332    HD2  TYR  48           HD1      TYR  48  -3.684  -1.201  -1.201
  333    HE1  TYR  48           HE2      TYR  48  -2.610   3.285   3.285
  334    HE2  TYR  48           HE1      TYR  48  -2.067   0.259   0.259
  335    HH   TYR  48           HH       TYR  48  -0.482   1.933   1.933
  336    H    TYR  49           HN       TYR  49  -5.904   0.966   0.966
  337    HA   TYR  49           HA       TYR  49  -8.190   0.495   0.495
  338   1HB   TYR  49          2HB       TYR  49  -5.340   1.070   1.070
  339   2HB   TYR  49          3HB       TYR  49  -6.849   1.542   1.542
  340    HD1  TYR  49           HD2      TYR  49  -4.362   2.253   2.253
  341    HD2  TYR  49           HD1      TYR  49  -8.018   3.649   3.649
  342    HE1  TYR  49           HE2      TYR  49  -4.274   4.279   4.279
  343    HE2  TYR  49           HE1      TYR  49  -7.704   5.832   5.832
  344    HH   TYR  49           HH       TYR  49  -6.204   6.201   6.201
  345    H    SER  50           HN       SER  50  -8.325  -1.351  -1.351
  346    HA   SER  50           HA       SER  50  -6.244  -3.457  -3.457
  347   1HB   SER  50          2HB       SER  50  -8.163  -4.668  -4.668
  348   2HB   SER  50          3HB       SER  50  -8.297  -4.424  -4.424
  349    HG   SER  50           HG       SER  50  -9.655  -2.807  -2.807
  350    H    SER  51           HN       SER  51  -6.594  -0.754  -0.754
  351    HA   SER  51           HA       SER  51  -5.479  -2.039  -2.039
  352   1HB   SER  51          2HB       SER  51  -7.014  -0.327  -0.327
  353   2HB   SER  51          3HB       SER  51  -7.770  -1.780  -1.780
  354    HG   SER  51           HG       SER  51  -8.430   0.678   0.678
  355    H    TYR  52           HN       TYR  52  -3.958  -0.867  -0.867
  356    HA   TYR  52           HA       TYR  52  -2.430   1.060   1.060
  357   1HB   TYR  52          2HB       TYR  52  -1.457  -0.256  -0.256
  358   2HB   TYR  52          3HB       TYR  52  -2.695   0.293   0.293
  359    HD1  TYR  52           HD2      TYR  52   0.352   1.361   1.361
  360    HD2  TYR  52           HD1      TYR  52  -2.472   2.288   2.288
  361    HE1  TYR  52           HE2      TYR  52   1.775   3.256   3.256
  362    HE2  TYR  52           HE1      TYR  52  -1.146   4.276   4.276
  363    HH   TYR  52           HH       TYR  52   0.723   5.604   5.604
  364    H    ARG  53           HN       ARG  53  -4.555   1.681   1.681
  365    HA   ARG  53           HA       ARG  53  -3.865   4.376   4.376
  366   1HB   ARG  53          2HB       ARG  53  -5.484   4.928   4.928
  367   2HB   ARG  53          3HB       ARG  53  -4.864   3.352   3.352
  368   1HG   ARG  53          2HG       ARG  53  -7.473   3.717   3.717
  369   2HG   ARG  53          3HG       ARG  53  -7.358   3.890   3.890
  370   1HD   ARG  53          2HD       ARG  53  -6.491   1.523   1.523
  371   2HD   ARG  53          3HD       ARG  53  -6.581   1.389   1.389
  372    HE   ARG  53           HE       ARG  53  -8.808   0.982   0.982
  373   1HH1  ARG  53          2HH2      ARG  53  -7.928   2.615   2.615
  374   2HH1  ARG  53          1HH2      ARG  53  -9.557   2.817   2.817
  375   1HH2  ARG  53          2HH1      ARG  53 -10.823   0.961   0.961
  376   2HH2  ARG  53          1HH1      ARG  53 -11.278   1.517   1.517
  377    H    ASP  54           HN       ASP  54  -6.392   2.731   2.731
  378    HA   ASP  54           HA       ASP  54  -7.762   5.052   5.052
  379   1HB   ASP  54          2HB       ASP  54  -7.284   2.286   2.286
  380   2HB   ASP  54          3HB       ASP  54  -8.163   3.569   3.569
  381    H    CYS  55           HN       CYS  55  -4.985   3.233   3.233
  382    HA   CYS  55           HA       CYS  55  -4.443   5.176   5.176
  383   1HB   CYS  55          2HB       CYS  55  -3.311   3.142   3.142
  384   2HB   CYS  55          3HB       CYS  55  -2.872   3.069   3.069
  385    H    PHE  56           HN       PHE  56  -3.202   5.007   5.007
  386    HA   PHE  56           HA       PHE  56  -1.516   7.241   7.241
  387   1HB   PHE  56          2HB       PHE  56  -1.725   5.643   5.643
  388   2HB   PHE  56          3HB       PHE  56  -3.246   6.417   6.417
  389    HD1  PHE  56          1HD       PHE  56   0.402   7.015   7.015
  390    HD2  PHE  56          2HD       PHE  56  -3.310   8.502   8.502
  391    HE1  PHE  56          1HE       PHE  56   1.649   8.702   8.702
  392    HE2  PHE  56          2HE       PHE  56  -2.061  10.219  10.219
  393    HZ   PHE  56           HZ       PHE  56   0.426  10.308  10.308
  394    H    ASN  57           HN       ASN  57  -4.963   7.253   7.253
  395    HA   ASN  57           HA       ASN  57  -4.949  10.050  10.050
  396   1HB   ASN  57          2HB       ASN  57  -7.298   8.141   8.141
  397   2HB   ASN  57          3HB       ASN  57  -7.482   9.868   9.868
  398   1HD2  ASN  57          2HD2      ASN  57  -6.516   7.369   7.369
  399   2HD2  ASN  57          1HD2      ASN  57  -6.646   6.807   6.807
  400    H    ALA  58           HN       ALA  58  -5.873   8.020   8.020
  401    HA   ALA  58           HA       ALA  58  -7.202  10.200  10.200
  402   1HB   ALA  58          3HB       ALA  58  -6.327   7.489   7.489
  403   2HB   ALA  58          1HB       ALA  58  -7.081   8.684   8.684
  404   3HB   ALA  58          2HB       ALA  58  -7.925   8.131   8.131
  405    H    CYS  59           HN       CYS  59  -3.749   9.291   9.291
  406    HA   CYS  59           HA       CYS  59  -3.409  11.645  11.645
  407   1HB   CYS  59          2HB       CYS  59  -2.641   9.512   9.512
  408   2HB   CYS  59          3HB       CYS  59  -1.433   9.435   9.435
  409    H    ILE  60           HN       ILE  60  -2.663  10.626  10.626
  410    HA   ILE  60           HA       ILE  60  -0.312  12.408  12.408
  411    HB   ILE  60           HB       ILE  60  -1.144  10.438  10.438
  412   1HG1  ILE  60          2HG1      ILE  60  -0.643   9.129   9.129
  413   2HG1  ILE  60          3HG1      ILE  60   0.603   8.960   8.960
  414   1HG2  ILE  60          3HG2      ILE  60   1.381  12.050  12.050
  415   2HG2  ILE  60          1HG2      ILE  60   1.272  10.682  10.682
  416   3HG2  ILE  60          2HG2      ILE  60   0.279  12.114  12.114
  417   1HD1  ILE  60          1HD1      ILE  60   1.960  10.713  10.713
  418   2HD1  ILE  60          2HD1      ILE  60   0.767  10.426  10.426
  419   3HD1  ILE  60          3HD1      ILE  60   1.748   9.096   9.096

  Start of MODEL    4
    1    H    TYR   1           HN       TYR   1 -10.130  13.154  13.154
    2    HA   TYR   1           HA       TYR   1 -10.108  10.752  10.752
    3   1HB   TYR   1          2HB       TYR   1  -7.679  10.284  10.284
    4   2HB   TYR   1          3HB       TYR   1  -8.076  11.621  11.621
    5    HD1  TYR   1           HD2      TYR   1  -6.700  10.773  10.773
    6    HD2  TYR   1           HD1      TYR   1  -6.985  13.735  13.735
    7    HE1  TYR   1           HE2      TYR   1  -4.907  12.090  12.090
    8    HE2  TYR   1           HE1      TYR   1  -5.091  14.948  14.948
    9    HH   TYR   1           HH       TYR   1  -3.565  15.040  15.040
   10    H    ASN   2           HN       ASN   2 -10.079   8.913   8.913
   11    HA   ASN   2           HA       ASN   2  -9.966   9.323   9.323
   12   1HB   ASN   2          2HB       ASN   2 -11.361   7.541   7.541
   13   2HB   ASN   2          3HB       ASN   2  -9.903   6.737   6.737
   14   1HD2  ASN   2          2HD2      ASN   2  -9.615   4.967   4.967
   15   2HD2  ASN   2          1HD2      ASN   2  -9.525   4.963   4.963
   16    H    ARG   3           HN       ARG   3  -8.041   9.463   9.463
   17    HA   ARG   3           HA       ARG   3  -5.595   9.417   9.417
   18   1HB   ARG   3          2HB       ARG   3  -6.244  11.007  11.007
   19   2HB   ARG   3          3HB       ARG   3  -5.947   9.785   9.785
   20   1HG   ARG   3          2HG       ARG   3  -3.824  10.617  10.617
   21   2HG   ARG   3          3HG       ARG   3  -4.158  11.608  11.608
   22   1HD   ARG   3          2HD       ARG   3  -3.158   8.727   8.727
   23   2HD   ARG   3          3HD       ARG   3  -2.248  10.175  10.175
   24    HE   ARG   3           HE       ARG   3  -4.151   8.814   8.814
   25   1HH1  ARG   3          2HH2      ARG   3  -2.293  11.848  11.848
   26   2HH1  ARG   3          1HH2      ARG   3  -2.163  12.178  12.178
   27   1HH2  ARG   3          2HH1      ARG   3  -4.302   9.619   9.619
   28   2HH2  ARG   3          1HH1      ARG   3  -3.024  10.672  10.672
   29    H    LEU   4           HN       LEU   4  -5.669   7.227   7.227
   30    HA   LEU   4           HA       LEU   4  -4.524   5.256   5.256
   31   1HB   LEU   4          2HB       LEU   4  -5.248   4.741   4.741
   32   2HB   LEU   4          3HB       LEU   4  -4.797   3.579   3.579
   33    HG   LEU   4           HG       LEU   4  -7.354   5.243   5.243
   34   1HD1  LEU   4          3HD1      LEU   4  -7.065   3.203   3.203
   35   2HD1  LEU   4          1HD1      LEU   4  -7.003   2.243   2.243
   36   3HD1  LEU   4          2HD1      LEU   4  -8.459   3.153   3.153
   37   1HD2  LEU   4          1HD2      LEU   4  -6.236   3.258   3.258
   38   2HD2  LEU   4          2HD2      LEU   4  -6.902   4.861   4.861
   39   3HD2  LEU   4          3HD2      LEU   4  -7.961   3.509   3.509
   40    H    CYS   5           HN       CYS   5  -3.985   6.520   6.520
   41    HA   CYS   5           HA       CYS   5  -1.762   5.161   5.161
   42   1HB   CYS   5          2HB       CYS   5  -2.850   6.372   6.372
   43   2HB   CYS   5          3HB       CYS   5  -2.735   7.877   7.877
   44    H    ILE   6           HN       ILE   6  -1.820   8.124   8.124
   45    HA   ILE   6           HA       ILE   6   0.878   8.913   8.913
   46    HB   ILE   6           HB       ILE   6  -0.886   9.567   9.567
   47   1HG1  ILE   6          2HG1      ILE   6  -2.158  10.071  10.071
   48   2HG1  ILE   6          3HG1      ILE   6  -1.661  11.512  11.512
   49   1HG2  ILE   6          2HG2      ILE   6   1.590  10.828  10.828
   50   2HG2  ILE   6          3HG2      ILE   6   0.514  11.698  11.698
   51   3HG2  ILE   6          1HG2      ILE   6   1.339  10.234  10.234
   52   1HD1  ILE   6          3HD1      ILE   6   0.168  11.880  11.880
   53   2HD1  ILE   6          1HD1      ILE   6  -0.307  10.391  10.391
   54   3HD1  ILE   6          2HD1      ILE   6  -1.416  11.772  11.772
   55    H    LYS   7           HN       LYS   7   2.341   7.422   7.422
   56    HA   LYS   7           HA       LYS   7   2.086   5.456   5.456
   57   1HB   LYS   7          2HB       LYS   7   2.993   5.175   5.175
   58   2HB   LYS   7          3HB       LYS   7   4.493   5.923   5.923
   59   1HG   LYS   7          2HG       LYS   7   3.609   3.586   3.586
   60   2HG   LYS   7          3HG       LYS   7   3.932   3.187   3.187
   61   1HD   LYS   7          2HD       LYS   7   6.180   3.919   3.919
   62   2HD   LYS   7          3HD       LYS   7   5.961   4.893   4.893
   63   1HE   LYS   7          2HE       LYS   7   5.813   2.986   2.986
   64   2HE   LYS   7          3HE       LYS   7   5.609   1.888   1.888
   65   1HZ   LYS   7          3HZ       LYS   7   8.151   3.281   3.281
   66   2HZ   LYS   7          1HZ       LYS   7   7.723   1.808   1.808
   67   3HZ   LYS   7          2HZ       LYS   7   7.774   2.037   2.037
   68    HA   PRO   8           HA       PRO   8   5.710   7.060   7.060
   69   1HB   PRO   8          2HB       PRO   8   4.748   9.838   9.838
   70   2HB   PRO   8          3HB       PRO   8   6.374   9.238   9.238
   71   1HG   PRO   8          2HG       PRO   8   4.826  10.589  10.589
   72   2HG   PRO   8          3HG       PRO   8   6.074   9.384   9.384
   73   1HD   PRO   8          2HD       PRO   8   3.079   8.946   8.946
   74   2HD   PRO   8          3HD       PRO   8   4.271   8.265   8.265
   75    H    ARG   9           HN       ARG   9   4.134   5.508   5.508
   76    HA   ARG   9           HA       ARG   9   2.736   6.460   6.460
   77   1HB   ARG   9          2HB       ARG   9   0.583   5.377   5.377
   78   2HB   ARG   9          3HB       ARG   9   0.990   6.956   6.956
   79   1HG   ARG   9          2HG       ARG   9   1.579   6.093   6.093
   80   2HG   ARG   9          3HG       ARG   9   1.559   4.406   4.406
   81   1HD   ARG   9          2HD       ARG   9  -0.928   6.150   6.150
   82   2HD   ARG   9          3HD       ARG   9  -0.441   5.390   5.390
   83    HE   ARG   9           HE       ARG   9  -0.556   3.588   3.588
   84   1HH1  ARG   9          2HH2      ARG   9  -2.358   4.701   4.701
   85   2HH1  ARG   9          1HH2      ARG   9  -3.364   3.274   3.274
   86   1HH2  ARG   9          2HH1      ARG   9  -1.807   1.892   1.892
   87   2HH2  ARG   9          1HH1      ARG   9  -3.203   1.730   1.730
   88    H    ASP  10           HN       ASP  10   4.888   5.007   5.007
   89    HA   ASP  10           HA       ASP  10   5.695   3.521   3.521
   90   1HB   ASP  10          2HB       ASP  10   2.811   2.658   2.658
   91   2HB   ASP  10          3HB       ASP  10   4.210   2.072   2.072
   92    H    TRP  11           HN       TRP  11   3.528   2.190   2.190
   93    HA   TRP  11           HA       TRP  11   3.669  -0.407  -0.407
   94   1HB   TRP  11          2HB       TRP  11   2.509   0.901   0.901
   95   2HB   TRP  11          3HB       TRP  11   3.912   1.313   1.313
   96    HD1  TRP  11           HD1      TRP  11   5.046  -1.668  -1.668
   97    HE1  TRP  11           HE1      TRP  11   3.817  -3.244  -3.244
   98    HE3  TRP  11           HE3      TRP  11   0.609   0.660   0.660
   99    HZ2  TRP  11           HZ2      TRP  11   1.287  -3.227  -3.227
  100    HZ3  TRP  11           HZ3      TRP  11  -1.436  -0.600  -0.600
  101    HH2  TRP  11           HH2      TRP  11  -0.970  -2.123  -2.123
  102    H    ILE  12           HN       ILE  12   4.917  -2.150  -2.150
  103    HA   ILE  12           HA       ILE  12   7.855  -1.865  -1.865
  104    HB   ILE  12           HB       ILE  12   6.092  -3.923  -3.923
  105   1HG1  ILE  12          2HG1      ILE  12   6.008  -1.721  -1.721
  106   2HG1  ILE  12          3HG1      ILE  12   6.680  -3.037  -3.037
  107   1HG2  ILE  12          2HG2      ILE  12   9.109  -3.655  -3.655
  108   2HG2  ILE  12          3HG2      ILE  12   8.201  -4.676  -4.676
  109   3HG2  ILE  12          1HG2      ILE  12   8.127  -5.006  -5.006
  110   1HD1  ILE  12          2HD1      ILE  12   8.365  -0.943  -0.943
  111   2HD1  ILE  12          3HD1      ILE  12   7.905  -0.899  -0.899
  112   3HD1  ILE  12          1HD1      ILE  12   8.949  -2.203  -2.203
  113    H    ASP  13           HN       ASP  13   7.471  -1.879  -1.879
  114    HA   ASP  13           HA       ASP  13   6.384  -4.209  -4.209
  115   1HB   ASP  13          2HB       ASP  13   7.127  -3.289  -3.289
  116   2HB   ASP  13          3HB       ASP  13   6.361  -2.017  -2.017
  117    H    GLU  14           HN       GLU  14   7.811  -5.498  -5.498
  118    HA   GLU  14           HA       GLU  14  10.563  -6.044  -6.044
  119   1HB   GLU  14          2HB       GLU  14  10.407  -6.004  -6.004
  120   2HB   GLU  14          3HB       GLU  14   8.845  -6.779  -6.779
  121   1HG   GLU  14          2HG       GLU  14  10.872  -8.612  -8.612
  122   2HG   GLU  14          3HG       GLU  14  11.311  -7.984  -7.984
  123    H    CYS  15           HN       CYS  15   8.033  -8.325  -8.325
  124    HA   CYS  15           HA       CYS  15   8.178 -10.426 -10.426
  125   1HB   CYS  15          2HB       CYS  15   5.832 -10.711 -10.711
  126   2HB   CYS  15          3HB       CYS  15   6.197  -9.789  -9.789
  127    H    ASP  16           HN       ASP  16   7.616 -11.417 -11.417
  128    HA   ASP  16           HA       ASP  16   7.847  -9.747  -9.747
  129   1HB   ASP  16          2HB       ASP  16   9.321 -11.845 -11.845
  130   2HB   ASP  16          3HB       ASP  16   8.090 -12.758 -12.758
  131    H    SER  17           HN       SER  17   6.909 -11.626 -11.626
  132    HA   SER  17           HA       SER  17   3.971 -11.620 -11.620
  133   1HB   SER  17          2HB       SER  17   4.273 -13.317 -13.317
  134   2HB   SER  17          3HB       SER  17   4.699 -11.651 -11.651
  135    HG   SER  17           HG       SER  17   6.487 -13.702 -13.702
  136    H    ASN  18           HN       ASN  18   2.793 -13.629 -13.629
  137    HA   ASN  18           HA       ASN  18   2.315 -15.801 -15.801
  138   1HB   ASN  18          2HB       ASN  18   4.692 -16.552 -16.552
  139   2HB   ASN  18          3HB       ASN  18   5.109 -16.365 -16.365
  140   1HD2  ASN  18          2HD2      ASN  18   3.494 -19.388 -19.388
  141   2HD2  ASN  18          1HD2      ASN  18   4.617 -18.128 -18.128
  142    H    GLU  19           HN       GLU  19   4.523 -14.127 -14.127
  143    HA   GLU  19           HA       GLU  19   3.553 -15.141 -15.141
  144   1HB   GLU  19          2HB       GLU  19   5.453 -13.149 -13.149
  145   2HB   GLU  19          3HB       GLU  19   4.400 -12.360 -12.360
  146   1HG   GLU  19          2HG       GLU  19   5.824 -15.018 -15.018
  147   2HG   GLU  19          3HG       GLU  19   6.425 -13.442 -13.442
  148    H    GLY  20           HN       GLY  20   2.299 -13.893 -13.893
  149   1HA   GLY  20          1HA       GLY  20  -0.307 -13.592 -13.592
  150   2HA   GLY  20          2HA       GLY  20   0.285 -12.905 -12.905
  151    H    GLY  21           HN       GLY  21  -1.736 -11.746 -11.746
  152   1HA   GLY  21          1HA       GLY  21  -2.203  -9.504  -9.504
  153   2HA   GLY  21          2HA       GLY  21  -0.485  -9.100  -9.100
  154    H    GLU  22           HN       GLU  22  -1.853  -8.189  -8.189
  155    HA   GLU  22           HA       GLU  22  -1.241  -9.793  -9.793
  156   1HB   GLU  22          2HB       GLU  22  -3.390  -8.776  -8.776
  157   2HB   GLU  22          3HB       GLU  22  -3.566 -10.027 -10.027
  158   1HG   GLU  22          2HG       GLU  22  -3.944  -8.188  -8.188
  159   2HG   GLU  22          3HG       GLU  22  -3.940  -7.028  -7.028
  160    H    ARG  23           HN       ARG  23  -1.290  -8.138  -8.138
  161    HA   ARG  23           HA       ARG  23   0.611  -6.089  -6.089
  162   1HB   ARG  23          2HB       ARG  23  -0.292  -7.349  -7.349
  163   2HB   ARG  23          3HB       ARG  23  -0.333  -5.594  -5.594
  164   1HG   ARG  23          2HG       ARG  23   1.970  -5.413  -5.413
  165   2HG   ARG  23          3HG       ARG  23   2.022  -7.084  -7.084
  166   1HD   ARG  23          2HD       ARG  23   3.253  -6.887  -6.887
  167   2HD   ARG  23          3HD       ARG  23   1.761  -7.732  -7.732
  168    HE   ARG  23           HE       ARG  23   1.103  -5.146  -5.146
  169   1HH1  ARG  23          2HH2      ARG  23   3.958  -7.156  -7.156
  170   2HH1  ARG  23          1HH2      ARG  23   4.195  -6.144  -6.144
  171   1HH2  ARG  23          2HH1      ARG  23   1.469  -4.057  -4.057
  172   2HH2  ARG  23          1HH1      ARG  23   2.862  -4.517  -4.517
  173    H    ALA  24           HN       ALA  24   0.307  -4.009  -4.009
  174    HA   ALA  24           HA       ALA  24  -2.388  -2.726  -2.726
  175   1HB   ALA  24          2HB       ALA  24  -0.352  -2.663  -2.663
  176   2HB   ALA  24          3HB       ALA  24  -1.434  -1.307  -1.307
  177   3HB   ALA  24          1HB       ALA  24  -2.103  -2.904  -2.904
  178    H    TYR  25           HN       TYR  25  -2.352  -0.520  -0.520
  179    HA   TYR  25           HA       TYR  25   0.167   0.339   0.339
  180   1HB   TYR  25          2HB       TYR  25  -2.788   0.657   0.657
  181   2HB   TYR  25          3HB       TYR  25  -1.557   1.568   1.568
  182    HD1  TYR  25           HD1      TYR  25  -2.778  -1.882  -1.882
  183    HD2  TYR  25           HD2      TYR  25  -0.095   0.443   0.443
  184    HE1  TYR  25           HE1      TYR  25  -2.080  -3.931  -3.931
  185    HE2  TYR  25           HE2      TYR  25   0.566  -1.616  -1.616
  186    HH   TYR  25           HH       TYR  25  -0.844  -4.777  -4.777
  187    H    PHE  26           HN       PHE  26   1.065   2.180   2.180
  188    HA   PHE  26           HA       PHE  26  -0.429   4.286   4.286
  189   1HB   PHE  26          2HB       PHE  26   1.867   2.663   2.663
  190   2HB   PHE  26          3HB       PHE  26   1.598   4.313   4.313
  191    HD1  PHE  26          1HD       PHE  26  -0.489   1.231   1.231
  192    HD2  PHE  26          2HD       PHE  26   0.772   4.466   4.466
  193    HE1  PHE  26          1HE       PHE  26  -1.914   0.428   0.428
  194    HE2  PHE  26          2HE       PHE  26  -0.314   3.342   3.342
  195    HZ   PHE  26           HZ       PHE  26  -1.753   1.283   1.283
  196    H    ARG  27           HN       ARG  27   1.600   6.018   6.018
  197    HA   ARG  27           HA       ARG  27   2.300   6.882   6.882
  198   1HB   ARG  27          2HB       ARG  27   1.901   8.325   8.325
  199   2HB   ARG  27          3HB       ARG  27   3.530   7.860   7.860
  200   1HG   ARG  27          2HG       ARG  27   4.358   8.751   8.751
  201   2HG   ARG  27          3HG       ARG  27   2.698   9.301   9.301
  202   1HD   ARG  27          2HD       ARG  27   2.896  10.656  10.656
  203   2HD   ARG  27          3HD       ARG  27   4.626  10.221  10.221
  204    HE   ARG  27           HE       ARG  27   4.165  11.188  11.188
  205   1HH1  ARG  27          2HH2      ARG  27   4.432  12.475  12.475
  206   2HH1  ARG  27          1HH2      ARG  27   3.873  14.070  14.070
  207   1HH2  ARG  27          2HH1      ARG  27   3.777  13.486  13.486
  208   2HH2  ARG  27          1HH1      ARG  27   4.193  14.671  14.671
  209    H    ASN  28           HN       ASN  28   4.200   6.455   6.455
  210    HA   ASN  28           HA       ASN  28   6.501   5.310   5.310
  211   1HB   ASN  28          2HB       ASN  28   7.601   4.731   4.731
  212   2HB   ASN  28          3HB       ASN  28   6.047   3.949   3.949
  213   1HD2  ASN  28          2HD2      ASN  28   5.755   4.997   4.997
  214   2HD2  ASN  28          1HD2      ASN  28   5.477   3.745   3.745
  215    H    GLY  29           HN       GLY  29   8.453   6.340   6.340
  216   1HA   GLY  29          1HA       GLY  29   8.445   9.178   9.178
  217   2HA   GLY  29          2HA       GLY  29   9.859   8.114   8.114
  218    H    LYS  30           HN       LYS  30   8.420   7.198   7.198
  219    HA   LYS  30           HA       LYS  30  10.531   8.689   8.689
  220   1HB   LYS  30          2HB       LYS  30   8.526   6.752   6.752
  221   2HB   LYS  30          3HB       LYS  30  10.055   7.241   7.241
  222   1HG   LYS  30          2HG       LYS  30  10.185   5.820   5.820
  223   2HG   LYS  30          3HG       LYS  30   9.614   4.911   4.911
  224   1HD   LYS  30          2HD       LYS  30  11.902   4.527   4.527
  225   2HD   LYS  30          3HD       LYS  30  11.660   5.455   5.455
  226   1HE   LYS  30          2HE       LYS  30  12.282   7.010   7.010
  227   2HE   LYS  30          3HE       LYS  30  13.552   5.960   5.960
  228   1HZ   LYS  30          2HZ       LYS  30  13.403   7.064   7.064
  229   2HZ   LYS  30          3HZ       LYS  30  12.379   8.199   8.199
  230   3HZ   LYS  30          1HZ       LYS  30  13.891   8.020   8.020
  231    H    GLY  31           HN       GLY  31   6.999   8.416   8.416
  232   1HA   GLY  31          1HA       GLY  31   6.087  10.910  10.910
  233   2HA   GLY  31          2HA       GLY  31   6.453  10.415  10.415
  234    H    GLY  32           HN       GLY  32   5.947   7.603   7.603
  235   1HA   GLY  32          1HA       GLY  32   3.044   7.630   7.630
  236   2HA   GLY  32          2HA       GLY  32   4.168   6.283   6.283
  237    H    CYS  33           HN       CYS  33   2.565   4.963   4.963
  238    HA   CYS  33           HA       CYS  33   2.356   5.280   5.280
  239   1HB   CYS  33          2HB       CYS  33   0.703   3.645   3.645
  240   2HB   CYS  33          3HB       CYS  33   0.658   3.403   3.403
  241    H    ASP  34           HN       ASP  34   3.226   3.689   3.689
  242    HA   ASP  34           HA       ASP  34   5.187   1.856   1.856
  243   1HB   ASP  34          2HB       ASP  34   5.248   3.358   3.358
  244   2HB   ASP  34          3HB       ASP  34   4.678   1.825   1.825
  245    H    SER  35           HN       SER  35   5.193  -0.239  -0.239
  246    HA   SER  35           HA       SER  35   2.562  -0.907  -0.907
  247   1HB   SER  35          2HB       SER  35   3.947  -2.967  -2.967
  248   2HB   SER  35          3HB       SER  35   2.399  -3.142  -3.142
  249    HG   SER  35           HG       SER  35   1.771  -1.178  -1.178
  250    H    PHE  36           HN       PHE  36   2.596  -2.459  -2.459
  251    HA   PHE  36           HA       PHE  36   5.109  -3.738  -3.738
  252   1HB   PHE  36          2HB       PHE  36   4.254  -3.190  -3.190
  253   2HB   PHE  36          3HB       PHE  36   5.450  -2.243  -2.243
  254    HD1  PHE  36          2HD       PHE  36   1.774  -2.009  -2.009
  255    HD2  PHE  36          1HD       PHE  36   5.177  -0.410  -0.410
  256    HE1  PHE  36          2HE       PHE  36   0.388  -0.341  -0.341
  257    HE2  PHE  36          1HE       PHE  36   3.633   1.107   1.107
  258    HZ   PHE  36           HZ       PHE  36   1.302   1.266   1.266
  259    H    TRP  37           HN       TRP  37   4.683  -5.414  -5.414
  260    HA   TRP  37           HA       TRP  37   2.043  -6.718  -6.718
  261   1HB   TRP  37          2HB       TRP  37   4.666  -7.494  -7.494
  262   2HB   TRP  37          3HB       TRP  37   3.277  -8.566  -8.566
  263    HD1  TRP  37           HD1      TRP  37   6.475  -7.417  -7.417
  264    HE1  TRP  37           HE1      TRP  37   6.747  -8.220  -8.220
  265    HE3  TRP  37           HE3      TRP  37   1.702  -9.052  -9.052
  266    HZ2  TRP  37           HZ2      TRP  37   5.068  -9.157  -9.157
  267    HZ3  TRP  37           HZ3      TRP  37   1.068  -9.853  -9.853
  268    HH2  TRP  37           HH2      TRP  37   2.738  -9.964  -9.964
  269    H    ILE  38           HN       ILE  38   0.776  -6.827  -6.827
  270    HA   ILE  38           HA       ILE  38   1.429  -4.772  -4.772
  271    HB   ILE  38           HB       ILE  38  -1.021  -6.508  -6.508
  272   1HG1  ILE  38          2HG1      ILE  38  -0.526  -4.219  -4.219
  273   2HG1  ILE  38          3HG1      ILE  38  -1.063  -5.832  -5.832
  274   1HG2  ILE  38          1HG2      ILE  38  -0.261  -3.693  -3.693
  275   2HG2  ILE  38          2HG2      ILE  38  -1.903  -4.323  -4.323
  276   3HG2  ILE  38          3HG2      ILE  38  -0.634  -5.111  -5.111
  277   1HD1  ILE  38          1HD1      ILE  38  -3.168  -5.331  -5.331
  278   2HD1  ILE  38          2HD1      ILE  38  -2.610  -3.618  -3.618
  279   3HD1  ILE  38          3HD1      ILE  38  -2.910  -4.421  -4.421
  280    H    CYS  39           HN       CYS  39   1.734  -8.240  -8.240
  281    HA   CYS  39           HA       CYS  39   2.894  -9.589  -9.589
  282   1HB   CYS  39          2HB       CYS  39   3.345  -7.356  -7.356
  283   2HB   CYS  39          3HB       CYS  39   4.234  -8.830  -8.830
  284    HA   PRO  40           HA       PRO  40  -0.404 -10.599 -10.599
  285   1HB   PRO  40          2HB       PRO  40   0.896 -12.166 -12.166
  286   2HB   PRO  40          3HB       PRO  40   0.380 -12.756 -12.756
  287   1HG   PRO  40          2HG       PRO  40   3.120 -11.866 -11.866
  288   2HG   PRO  40          3HG       PRO  40   2.686 -13.241 -13.241
  289   1HD   PRO  40          2HD       PRO  40   3.605 -10.852 -10.852
  290   2HD   PRO  40          3HD       PRO  40   2.470 -11.852 -11.852
  291    H    GLU  41           HN       GLU  41   2.822  -9.511  -9.511
  292    HA   GLU  41           HA       GLU  41   2.027  -8.718  -8.718
  293   1HB   GLU  41          2HB       GLU  41   4.399  -8.655  -8.655
  294   2HB   GLU  41          3HB       GLU  41   4.195  -7.066  -7.066
  295   1HG   GLU  41          2HG       GLU  41   4.226  -9.682  -9.682
  296   2HG   GLU  41          3HG       GLU  41   5.554  -8.523  -8.523
  297    H    ASP  42           HN       ASP  42   2.009  -6.730  -6.730
  298    HA   ASP  42           HA       ASP  42   1.416  -4.414  -4.414
  299   1HB   ASP  42          2HB       ASP  42   2.906  -4.654  -4.654
  300   2HB   ASP  42          3HB       ASP  42   1.421  -3.996  -3.996
  301    H    HIS  43           HN       HIS  43  -0.582  -5.863  -5.863
  302    HA   HIS  43           HA       HIS  43  -2.916  -5.515  -5.515
  303   1HB   HIS  43          2HB       HIS  43  -2.478  -6.521  -6.521
  304   2HB   HIS  43          3HB       HIS  43  -4.067  -6.403  -6.403
  305    HD1  HIS  43           HD1      HIS  43  -3.283  -9.221  -9.221
  306    HD2  HIS  43           HD2      HIS  43  -2.531  -7.544  -7.544
  307    HE1  HIS  43           HE1      HIS  43  -3.286 -11.144 -11.144
  308    H    THR  44           HN       THR  44  -2.059  -3.181  -3.181
  309    HA   THR  44           HA       THR  44  -2.765  -1.351  -1.351
  310    HB   THR  44           HB       THR  44  -0.877  -1.243  -1.243
  311    HG1  THR  44          1HG       THR  44  -0.914   0.634   0.634
  312   1HG2  THR  44          2HG2      THR  44  -2.005  -1.927  -1.927
  313   2HG2  THR  44          3HG2      THR  44  -2.831  -0.355  -0.355
  314   3HG2  THR  44          1HG2      THR  44  -1.068  -0.457  -0.457
  315    H    GLY  45           HN       GLY  45  -4.995  -2.866  -2.866
  316   1HA   GLY  45          1HA       GLY  45  -7.131  -2.998  -2.998
  317   2HA   GLY  45          2HA       GLY  45  -7.039  -1.308  -1.308
  318    H    ALA  46           HN       ALA  46  -4.303  -2.804  -2.804
  319    HA   ALA  46           HA       ALA  46  -3.619  -2.493  -2.493
  320   1HB   ALA  46          3HB       ALA  46  -3.868  -4.853  -4.853
  321   2HB   ALA  46          1HB       ALA  46  -5.560  -4.716  -4.716
  322   3HB   ALA  46          2HB       ALA  46  -4.237  -4.130  -4.130
  323    H    ASP  47           HN       ASP  47  -4.122  -0.390  -0.390
  324    HA   ASP  47           HA       ASP  47  -6.798   0.403   0.403
  325   1HB   ASP  47          2HB       ASP  47  -4.999   1.308   1.308
  326   2HB   ASP  47          3HB       ASP  47  -5.067   2.586   2.586
  327    H    TYR  48           HN       TYR  48  -6.210  -0.359  -0.359
  328    HA   TYR  48           HA       TYR  48  -4.075   1.214   1.214
  329   1HB   TYR  48          2HB       TYR  48  -3.538  -0.834  -0.834
  330   2HB   TYR  48          3HB       TYR  48  -3.235  -1.073  -1.073
  331    HD1  TYR  48           HD1      TYR  48  -4.589  -2.525  -2.525
  332    HD2  TYR  48           HD2      TYR  48  -5.275  -2.156  -2.156
  333    HE1  TYR  48           HE1      TYR  48  -6.547  -4.063  -4.063
  334    HE2  TYR  48           HE2      TYR  48  -7.348  -3.473  -3.473
  335    HH   TYR  48           HH       TYR  48  -8.686  -4.120  -4.120
  336    H    TYR  49           HN       TYR  49  -4.197   1.372   1.372
  337    HA   TYR  49           HA       TYR  49  -6.921   1.126   1.126
  338   1HB   TYR  49          2HB       TYR  49  -4.385   2.467   2.467
  339   2HB   TYR  49          3HB       TYR  49  -5.810   2.213   2.213
  340    HD1  TYR  49           HD1      TYR  49  -8.113   2.948   2.948
  341    HD2  TYR  49           HD2      TYR  49  -4.267   4.542   4.542
  342    HE1  TYR  49           HE1      TYR  49  -9.207   4.995   4.995
  343    HE2  TYR  49           HE2      TYR  49  -5.373   6.646   6.646
  344    HH   TYR  49           HH       TYR  49  -7.452   7.556   7.556
  345    H    SER  50           HN       SER  50  -7.352  -0.284  -0.284
  346    HA   SER  50           HA       SER  50  -5.672  -2.611  -2.611
  347   1HB   SER  50          2HB       SER  50  -7.944  -3.070  -3.070
  348   2HB   SER  50          3HB       SER  50  -7.893  -3.122  -3.122
  349    HG   SER  50           HG       SER  50  -9.608  -1.855  -1.855
  350    H    SER  51           HN       SER  51  -7.453  -0.334  -0.334
  351    HA   SER  51           HA       SER  51  -5.779  -1.287  -1.287
  352   1HB   SER  51          2HB       SER  51  -6.987   0.209   0.209
  353   2HB   SER  51          3HB       SER  51  -8.046  -0.907  -0.907
  354    HG   SER  51           HG       SER  51  -8.707   0.767   0.767
  355    H    TYR  52           HN       TYR  52  -3.977  -0.370  -0.370
  356    HA   TYR  52           HA       TYR  52  -2.420   1.563   1.563
  357   1HB   TYR  52          2HB       TYR  52  -1.775   0.108   0.108
  358   2HB   TYR  52          3HB       TYR  52  -2.754   1.096   1.096
  359    HD1  TYR  52           HD1      TYR  52  -2.102   3.700   3.700
  360    HD2  TYR  52           HD2      TYR  52   0.520   0.511   0.511
  361    HE1  TYR  52           HE1      TYR  52  -0.165   5.186   5.186
  362    HE2  TYR  52           HE2      TYR  52   2.473   1.965   1.965
  363    HH   TYR  52           HH       TYR  52   2.164   5.261   5.261
  364    H    ARG  53           HN       ARG  53  -4.812   2.094   2.094
  365    HA   ARG  53           HA       ARG  53  -4.442   4.873   4.873
  366   1HB   ARG  53          2HB       ARG  53  -6.525   4.951   4.951
  367   2HB   ARG  53          3HB       ARG  53  -5.462   3.649   3.649
  368   1HG   ARG  53          2HG       ARG  53  -7.247   2.580   2.580
  369   2HG   ARG  53          3HG       ARG  53  -8.176   3.558   3.558
  370   1HD   ARG  53          2HD       ARG  53  -6.932   2.178   2.178
  371   2HD   ARG  53          3HD       ARG  53  -6.373   1.170   1.170
  372    HE   ARG  53           HE       ARG  53  -8.392   0.089   0.089
  373   1HH1  ARG  53          2HH2      ARG  53  -8.768   3.223   3.223
  374   2HH1  ARG  53          1HH2      ARG  53 -10.492   3.308   3.308
  375   1HH2  ARG  53          2HH1      ARG  53 -10.729   0.135   0.135
  376   2HH2  ARG  53          1HH1      ARG  53 -11.651   1.461   1.461
  377    H    ASP  54           HN       ASP  54  -6.415   3.025   3.025
  378    HA   ASP  54           HA       ASP  54  -7.872   5.381   5.381
  379   1HB   ASP  54          2HB       ASP  54  -7.644   2.550   2.550
  380   2HB   ASP  54          3HB       ASP  54  -7.923   3.799   3.799
  381    H    CYS  55           HN       CYS  55  -4.881   3.672   3.672
  382    HA   CYS  55           HA       CYS  55  -4.216   5.655   5.655
  383   1HB   CYS  55          2HB       CYS  55  -2.835   3.802   3.802
  384   2HB   CYS  55          3HB       CYS  55  -2.631   3.713   3.713
  385    H    PHE  56           HN       PHE  56  -3.237   5.540   5.540
  386    HA   PHE  56           HA       PHE  56  -1.863   7.943   7.943
  387   1HB   PHE  56          2HB       PHE  56  -2.022   6.127   6.127
  388   2HB   PHE  56          3HB       PHE  56  -3.527   6.889   6.889
  389    HD1  PHE  56          1HD       PHE  56   0.127   7.483   7.483
  390    HD2  PHE  56          2HD       PHE  56  -3.484   8.724   8.724
  391    HE1  PHE  56          1HE       PHE  56   1.397   9.203   9.203
  392    HE2  PHE  56          2HE       PHE  56  -2.170  10.378  10.378
  393    HZ   PHE  56           HZ       PHE  56   0.260  10.616  10.616
  394    H    ASN  57           HN       ASN  57  -5.346   7.528   7.528
  395    HA   ASN  57           HA       ASN  57  -5.652  10.374  10.374
  396   1HB   ASN  57          2HB       ASN  57  -7.671   8.152   8.152
  397   2HB   ASN  57          3HB       ASN  57  -8.130   9.863   9.863
  398   1HD2  ASN  57          2HD2      ASN  57  -6.578   8.209   8.209
  399   2HD2  ASN  57          1HD2      ASN  57  -6.152   7.548   7.548
  400    H    ALA  58           HN       ALA  58  -5.783   8.238   8.238
  401    HA   ALA  58           HA       ALA  58  -7.119  10.158  10.158
  402   1HB   ALA  58          2HB       ALA  58  -5.476   7.684   7.684
  403   2HB   ALA  58          3HB       ALA  58  -6.444   8.615   8.615
  404   3HB   ALA  58          1HB       ALA  58  -7.246   7.754   7.754
  405    H    CYS  59           HN       CYS  59  -3.786   9.694   9.694
  406    HA   CYS  59           HA       CYS  59  -3.025  11.835  11.835
  407   1HB   CYS  59          2HB       CYS  59  -1.093  10.506  10.506
  408   2HB   CYS  59          3HB       CYS  59  -2.625   9.652   9.652
  409    H    ILE  60           HN       ILE  60  -2.822  11.275  11.275
  410    HA   ILE  60           HA       ILE  60  -0.294  12.878  12.878
  411    HB   ILE  60           HB       ILE  60  -1.356  11.019  11.019
  412   1HG1  ILE  60          2HG1      ILE  60  -0.566   9.727   9.727
  413   2HG1  ILE  60          3HG1      ILE  60   0.479   9.568   9.568
  414   1HG2  ILE  60          2HG2      ILE  60   1.149  12.740  12.740
  415   2HG2  ILE  60          3HG2      ILE  60   0.936  11.454  11.454
  416   3HG2  ILE  60          1HG2      ILE  60  -0.140  12.856  12.856
  417   1HD1  ILE  60          3HD1      ILE  60   2.104  11.151  11.151
  418   2HD1  ILE  60          1HD1      ILE  60   1.087  11.223  11.223
  419   3HD1  ILE  60          2HD1      ILE  60   1.812   9.689   9.689

  Start of MODEL    5
    1    H    TYR   1           HN       TYR   1  -5.416  12.375  12.375
    2    HA   TYR   1           HA       TYR   1  -3.967  11.286  11.286
    3   1HB   TYR   1          2HB       TYR   1  -4.352   9.147   9.147
    4   2HB   TYR   1          3HB       TYR   1  -6.018   9.663   9.663
    5    HD1  TYR   1           HD1      TYR   1  -6.627   9.342   9.342
    6    HD2  TYR   1           HD2      TYR   1  -4.047   6.942   6.942
    7    HE1  TYR   1           HE1      TYR   1  -6.486   7.615   7.615
    8    HE2  TYR   1           HE2      TYR   1  -4.014   5.190   5.190
    9    HH   TYR   1           HH       TYR   1  -4.723   4.579   4.579
   10    H    ASN   2           HN       ASN   2  -4.050  12.144  12.144
   11    HA   ASN   2           HA       ASN   2  -2.796  11.913  11.913
   12   1HB   ASN   2          2HB       ASN   2  -1.377   9.435   9.435
   13   2HB   ASN   2          3HB       ASN   2  -0.996  10.439  10.439
   14   1HD2  ASN   2          2HD2      ASN   2   0.166  11.696  11.696
   15   2HD2  ASN   2          1HD2      ASN   2  -1.145  10.520  10.520
   16    H    ARG   3           HN       ARG   3  -4.047  11.210  11.210
   17    HA   ARG   3           HA       ARG   3  -6.139   9.405   9.405
   18   1HB   ARG   3          2HB       ARG   3  -6.069  11.382  11.382
   19   2HB   ARG   3          3HB       ARG   3  -5.208  10.408  10.408
   20   1HG   ARG   3          2HG       ARG   3  -7.128   9.043   9.043
   21   2HG   ARG   3          3HG       ARG   3  -7.933   9.565   9.565
   22   1HD   ARG   3          2HD       ARG   3  -7.303  11.387  11.387
   23   2HD   ARG   3          3HD       ARG   3  -8.849  10.595  10.595
   24    HE   ARG   3           HE       ARG   3  -7.797  12.954  12.954
   25   1HH1  ARG   3          2HH2      ARG   3 -10.569  10.833  10.833
   26   2HH1  ARG   3          1HH2      ARG   3 -11.067  11.092  11.092
   27   1HH2  ARG   3          2HH1      ARG   3  -8.416  13.384  13.384
   28   2HH2  ARG   3          1HH1      ARG   3  -9.865  12.723  12.723
   29    H    LEU   4           HN       LEU   4  -6.795   7.550   7.550
   30    HA   LEU   4           HA       LEU   4  -5.217   5.319   5.319
   31   1HB   LEU   4          2HB       LEU   4  -7.320   5.759   5.759
   32   2HB   LEU   4          3HB       LEU   4  -6.651   4.225   4.225
   33    HG   LEU   4           HG       LEU   4  -8.527   5.857   5.857
   34   1HD1  LEU   4          2HD1      LEU   4  -9.252   4.100   4.100
   35   2HD1  LEU   4          3HD1      LEU   4  -8.501   2.883   2.883
   36   3HD1  LEU   4          1HD1      LEU   4  -9.857   3.828   3.828
   37   1HD2  LEU   4          3HD2      LEU   4  -6.663   3.640   3.640
   38   2HD2  LEU   4          1HD2      LEU   4  -6.994   5.199   5.199
   39   3HD2  LEU   4          2HD2      LEU   4  -8.221   3.936   3.936
   40    H    CYS   5           HN       CYS   5  -3.976   7.580   7.580
   41    HA   CYS   5           HA       CYS   5  -2.850   5.883   5.883
   42   1HB   CYS   5          2HB       CYS   5  -3.976   8.034   8.034
   43   2HB   CYS   5          3HB       CYS   5  -2.899   8.895   8.895
   44    H    ILE   6           HN       ILE   6  -2.252   6.900   6.900
   45    HA   ILE   6           HA       ILE   6   0.644   7.360   7.360
   46    HB   ILE   6           HB       ILE   6  -1.164   8.655   8.655
   47   1HG1  ILE   6          2HG1      ILE   6  -0.437   9.480   9.480
   48   2HG1  ILE   6          3HG1      ILE   6  -2.053   9.297   9.297
   49   1HG2  ILE   6          2HG2      ILE   6   1.671   9.223   9.223
   50   2HG2  ILE   6          3HG2      ILE   6   0.823  10.281  10.281
   51   3HG2  ILE   6          1HG2      ILE   6   1.237   8.654   8.654
   52   1HD1  ILE   6          2HD1      ILE   6  -1.635  11.203  11.203
   53   2HD1  ILE   6          3HD1      ILE   6  -0.086  11.456  11.456
   54   3HD1  ILE   6          1HD1      ILE   6  -1.613  11.585  11.585
   55    H    LYS   7           HN       LYS   7   2.044   6.677   6.677
   56    HA   LYS   7           HA       LYS   7   1.164   4.488   4.488
   57   1HB   LYS   7          2HB       LYS   7   3.128   4.316   4.316
   58   2HB   LYS   7          3HB       LYS   7   3.978   5.427   5.427
   59   1HG   LYS   7          2HG       LYS   7   3.620   3.813   3.813
   60   2HG   LYS   7          3HG       LYS   7   2.908   2.674   2.674
   61   1HD   LYS   7          2HD       LYS   7   5.701   3.860   3.860
   62   2HD   LYS   7          3HD       LYS   7   5.406   2.436   2.436
   63   1HE   LYS   7          2HE       LYS   7   4.683   1.091   1.091
   64   2HE   LYS   7          3HE       LYS   7   4.578   2.421   2.421
   65   1HZ   LYS   7          2HZ       LYS   7   7.058   1.420   1.420
   66   2HZ   LYS   7          3HZ       LYS   7   6.541   1.017   1.017
   67   3HZ   LYS   7          1HZ       LYS   7   6.975   2.596   2.596
   68    HA   PRO   8           HA       PRO   8   1.907   7.432   7.432
   69   1HB   PRO   8          2HB       PRO   8  -0.453   7.298   7.298
   70   2HB   PRO   8          3HB       PRO   8  -0.253   8.417   8.417
   71   1HG   PRO   8          2HG       PRO   8  -1.494   5.648   5.648
   72   2HG   PRO   8          3HG       PRO   8  -2.158   7.153   7.153
   73   1HD   PRO   8          2HD       PRO   8  -0.741   5.276   5.276
   74   2HD   PRO   8          3HD       PRO   8  -0.785   7.048   7.048
   75    H    ARG   9           HN       ARG   9   1.567   6.419   6.419
   76    HA   ARG   9           HA       ARG   9   1.513   4.765   4.765
   77   1HB   ARG   9          2HB       ARG   9  -0.387   3.908   3.908
   78   2HB   ARG   9          3HB       ARG   9   0.729   2.530   2.530
   79   1HG   ARG   9          2HG       ARG   9   0.562   2.448   2.448
   80   2HG   ARG   9          3HG       ARG   9  -0.564   3.828   3.828
   81   1HD   ARG   9          2HD       ARG   9  -2.100   2.475   2.475
   82   2HD   ARG   9          3HD       ARG   9  -1.014   1.099   1.099
   83    HE   ARG   9           HE       ARG   9  -3.022   2.061   2.061
   84   1HH1  ARG   9          2HH2      ARG   9  -0.066   0.067   0.067
   85   2HH1  ARG   9          1HH2      ARG   9  -0.133  -0.458  -0.458
   86   1HH2  ARG   9          2HH1      ARG   9  -3.081   1.262   1.262
   87   2HH2  ARG   9          1HH1      ARG   9  -1.983   0.010   0.010
   88    H    ASP  10           HN       ASP  10   3.531   4.805   4.805
   89    HA   ASP  10           HA       ASP  10   5.724   4.611   4.611
   90   1HB   ASP  10          2HB       ASP  10   6.897   4.206   4.206
   91   2HB   ASP  10          3HB       ASP  10   5.452   3.765   3.765
   92    H    TRP  11           HN       TRP  11   4.061   1.606   1.606
   93    HA   TRP  11           HA       TRP  11   4.018  -0.446  -0.446
   94   1HB   TRP  11          2HB       TRP  11   2.393   0.697   0.697
   95   2HB   TRP  11          3HB       TRP  11   3.485   1.470   1.470
   96    HD1  TRP  11           HD1      TRP  11   4.943  -1.294  -1.294
   97    HE1  TRP  11           HE1      TRP  11   3.686  -2.812  -2.812
   98    HE3  TRP  11           HE3      TRP  11   0.260   0.459   0.459
   99    HZ2  TRP  11           HZ2      TRP  11   1.151  -2.655  -2.655
  100    HZ3  TRP  11           HZ3      TRP  11  -1.686  -0.595  -0.595
  101    HH2  TRP  11           HH2      TRP  11  -1.204  -1.942  -1.942
  102    H    ILE  12           HN       ILE  12   5.267  -2.079  -2.079
  103    HA   ILE  12           HA       ILE  12   8.024  -1.590  -1.590
  104    HB   ILE  12           HB       ILE  12   7.025  -3.636  -3.636
  105   1HG1  ILE  12          2HG1      ILE  12   8.624  -1.057  -1.057
  106   2HG1  ILE  12          3HG1      ILE  12   7.055  -1.430  -1.430
  107   1HG2  ILE  12          3HG2      ILE  12   9.819  -3.048  -3.048
  108   2HG2  ILE  12          1HG2      ILE  12   9.452  -4.187  -4.187
  109   3HG2  ILE  12          2HG2      ILE  12   8.876  -4.517  -4.517
  110   1HD1  ILE  12          2HD1      ILE  12   8.177  -3.301  -3.301
  111   2HD1  ILE  12          3HD1      ILE  12   9.739  -2.612  -2.612
  112   3HD1  ILE  12          1HD1      ILE  12   8.630  -1.644  -1.644
  113    H    ASP  13           HN       ASP  13   7.055  -1.786  -1.786
  114    HA   ASP  13           HA       ASP  13   6.001  -4.320  -4.320
  115   1HB   ASP  13          2HB       ASP  13   6.512  -3.214  -3.214
  116   2HB   ASP  13          3HB       ASP  13   5.187  -2.680  -2.680
  117    H    GLU  14           HN       GLU  14   7.899  -5.243  -5.243
  118    HA   GLU  14           HA       GLU  14  10.369  -5.695  -5.695
  119   1HB   GLU  14          2HB       GLU  14   8.972  -6.903  -6.903
  120   2HB   GLU  14          3HB       GLU  14  10.226  -7.848  -7.848
  121   1HG   GLU  14          2HG       GLU  14  10.675  -4.987  -4.987
  122   2HG   GLU  14          3HG       GLU  14  11.088  -6.404  -6.404
  123    H    CYS  15           HN       CYS  15   7.290  -7.377  -7.377
  124    HA   CYS  15           HA       CYS  15   8.014  -9.775  -9.775
  125   1HB   CYS  15          2HB       CYS  15   5.319  -8.455  -8.455
  126   2HB   CYS  15          3HB       CYS  15   5.444  -9.993  -9.993
  127    H    ASP  16           HN       ASP  16   7.296 -10.683 -10.683
  128    HA   ASP  16           HA       ASP  16   6.644  -8.718  -8.718
  129   1HB   ASP  16          2HB       ASP  16   8.793 -10.230 -10.230
  130   2HB   ASP  16          3HB       ASP  16   7.680 -11.476 -11.476
  131    H    SER  17           HN       SER  17   5.681 -10.730 -10.730
  132    HA   SER  17           HA       SER  17   3.209 -11.812 -11.812
  133   1HB   SER  17          2HB       SER  17   4.216 -11.497 -11.497
  134   2HB   SER  17          3HB       SER  17   4.382 -13.213 -13.213
  135    HG   SER  17           HG       SER  17   2.212 -13.420 -13.420
  136    H    ASN  18           HN       ASN  18   3.091 -14.331 -14.331
  137    HA   ASN  18           HA       ASN  18   3.747 -16.423 -16.423
  138   1HB   ASN  18          2HB       ASN  18   6.029 -16.416 -16.416
  139   2HB   ASN  18          3HB       ASN  18   6.574 -15.383 -15.383
  140   1HD2  ASN  18          2HD2      ASN  18   7.056 -17.964 -17.964
  141   2HD2  ASN  18          1HD2      ASN  18   7.384 -16.309 -16.309
  142    H    GLU  19           HN       GLU  19   4.958 -13.756 -13.756
  143    HA   GLU  19           HA       GLU  19   4.410 -15.321 -15.321
  144   1HB   GLU  19          2HB       GLU  19   6.418 -13.782 -13.782
  145   2HB   GLU  19          3HB       GLU  19   5.387 -12.475 -12.475
  146   1HG   GLU  19          2HG       GLU  19   5.320 -13.353 -13.353
  147   2HG   GLU  19          3HG       GLU  19   5.688 -14.998 -14.998
  148    H    GLY  20           HN       GLY  20   2.201 -15.396 -15.396
  149   1HA   GLY  20          1HA       GLY  20  -0.078 -14.775 -14.775
  150   2HA   GLY  20          2HA       GLY  20   0.538 -14.950 -14.950
  151    H    GLY  21           HN       GLY  21   0.690 -12.321 -12.321
  152   1HA   GLY  21          1HA       GLY  21  -0.831 -10.480 -10.480
  153   2HA   GLY  21          2HA       GLY  21   0.749 -10.023 -10.023
  154    H    GLU  22           HN       GLU  22  -1.497  -8.569  -8.569
  155    HA   GLU  22           HA       GLU  22  -2.190  -9.450  -9.450
  156   1HB   GLU  22          2HB       GLU  22  -4.035  -8.935  -8.935
  157   2HB   GLU  22          3HB       GLU  22  -3.403  -7.287  -7.287
  158   1HG   GLU  22          2HG       GLU  22  -3.950  -6.916  -6.916
  159   2HG   GLU  22          3HG       GLU  22  -4.544  -8.573  -8.573
  160    H    ARG  23           HN       ARG  23  -2.056  -7.811  -7.811
  161    HA   ARG  23           HA       ARG  23   0.168  -5.907  -5.907
  162   1HB   ARG  23          2HB       ARG  23  -0.903  -7.299  -7.299
  163   2HB   ARG  23          3HB       ARG  23  -0.887  -5.546  -5.546
  164   1HG   ARG  23          2HG       ARG  23   1.481  -5.499  -5.499
  165   2HG   ARG  23          3HG       ARG  23   1.431  -7.202  -7.202
  166   1HD   ARG  23          2HD       ARG  23   1.176  -5.643  -5.643
  167   2HD   ARG  23          3HD       ARG  23   2.628  -6.411  -6.411
  168    HE   ARG  23           HE       ARG  23   0.341  -8.213  -8.213
  169   1HH1  ARG  23          2HH2      ARG  23   3.130  -6.775  -6.775
  170   2HH1  ARG  23          1HH2      ARG  23   3.396  -8.281  -8.281
  171   1HH2  ARG  23          2HH1      ARG  23   0.949 -10.194 -10.194
  172   2HH2  ARG  23          1HH1      ARG  23   2.206 -10.089 -10.089
  173    H    ALA  24           HN       ALA  24  -0.334  -3.816  -3.816
  174    HA   ALA  24           HA       ALA  24  -3.126  -2.834  -2.834
  175   1HB   ALA  24          1HB       ALA  24  -1.212  -2.169  -2.169
  176   2HB   ALA  24          2HB       ALA  24  -2.558  -1.107  -1.107
  177   3HB   ALA  24          3HB       ALA  24  -2.867  -2.759  -2.759
  178    H    TYR  25           HN       TYR  25  -2.755  -0.220  -0.220
  179    HA   TYR  25           HA       TYR  25  -0.325   0.279   0.279
  180   1HB   TYR  25          2HB       TYR  25  -3.197   1.152   1.152
  181   2HB   TYR  25          3HB       TYR  25  -1.821   1.720   1.720
  182    HD1  TYR  25           HD2      TYR  25  -0.369  -0.180  -0.180
  183    HD2  TYR  25           HD1      TYR  25  -4.304  -0.897  -0.897
  184    HE1  TYR  25           HE2      TYR  25  -0.583  -2.213  -2.213
  185    HE2  TYR  25           HE1      TYR  25  -4.545  -2.868  -2.868
  186    HH   TYR  25           HH       TYR  25  -1.958  -3.947  -3.947
  187    H    PHE  26           HN       PHE  26   0.780   1.952   1.952
  188    HA   PHE  26           HA       PHE  26  -0.553   4.228   4.228
  189   1HB   PHE  26          2HB       PHE  26   1.507   2.623   2.623
  190   2HB   PHE  26          3HB       PHE  26   1.383   4.357   4.357
  191    HD1  PHE  26          2HD       PHE  26  -2.037   3.720   3.720
  192    HD2  PHE  26          1HD       PHE  26   1.360   3.113   3.113
  193    HE1  PHE  26          2HE       PHE  26  -3.493   2.877   2.877
  194    HE2  PHE  26          1HE       PHE  26  -0.108   2.243   2.243
  195    HZ   PHE  26           HZ       PHE  26  -2.387   1.506   1.506
  196    H    ARG  27           HN       ARG  27   1.132   5.976   5.976
  197    HA   ARG  27           HA       ARG  27   2.396   5.992   5.992
  198   1HB   ARG  27          2HB       ARG  27   2.755   8.344   8.344
  199   2HB   ARG  27          3HB       ARG  27   1.134   7.838   7.838
  200   1HG   ARG  27          2HG       ARG  27   1.471   8.807   8.807
  201   2HG   ARG  27          3HG       ARG  27   2.526   7.459   7.459
  202   1HD   ARG  27          2HD       ARG  27   3.725   9.430   9.430
  203   2HD   ARG  27          3HD       ARG  27   4.475   8.795   8.795
  204    HE   ARG  27           HE       ARG  27   2.603  11.148  11.148
  205   1HH1  ARG  27          2HH2      ARG  27   5.095   9.568   9.568
  206   2HH1  ARG  27          1HH2      ARG  27   4.811  10.540  10.540
  207   1HH2  ARG  27          2HH1      ARG  27   2.206  12.422  12.422
  208   2HH2  ARG  27          1HH1      ARG  27   3.196  12.382  12.382
  209    H    ASN  28           HN       ASN  28   4.532   6.191   6.191
  210    HA   ASN  28           HA       ASN  28   6.481   5.302   5.302
  211   1HB   ASN  28          2HB       ASN  28   7.963   4.724   4.724
  212   2HB   ASN  28          3HB       ASN  28   6.390   4.002   4.002
  213   1HD2  ASN  28          2HD2      ASN  28   6.962   5.155   5.155
  214   2HD2  ASN  28          1HD2      ASN  28   6.972   3.776   3.776
  215    H    GLY  29           HN       GLY  29   8.701   6.444   6.444
  216   1HA   GLY  29          1HA       GLY  29   8.299   9.408   9.408
  217   2HA   GLY  29          2HA       GLY  29   9.571   8.543   8.543
  218    H    LYS  30           HN       LYS  30   8.358   7.911   7.911
  219    HA   LYS  30           HA       LYS  30  11.076   8.539   8.539
  220   1HB   LYS  30          2HB       LYS  30   9.239   6.326   6.326
  221   2HB   LYS  30          3HB       LYS  30  10.839   6.797   6.797
  222   1HG   LYS  30          2HG       LYS  30  11.886   6.099   6.099
  223   2HG   LYS  30          3HG       LYS  30  10.323   5.768   5.768
  224   1HD   LYS  30          2HD       LYS  30  11.447   3.703   3.703
  225   2HD   LYS  30          3HD       LYS  30   9.857   3.955   3.955
  226   1HE   LYS  30          2HE       LYS  30  10.970   4.809   4.809
  227   2HE   LYS  30          3HE       LYS  30  12.559   4.473   4.473
  228   1HZ   LYS  30          2HZ       LYS  30  10.428   2.481   2.481
  229   2HZ   LYS  30          3HZ       LYS  30  11.509   2.802   2.802
  230   3HZ   LYS  30          1HZ       LYS  30  12.008   2.154   2.154
  231    H    GLY  31           HN       GLY  31   7.588   8.107   8.107
  232   1HA   GLY  31          1HA       GLY  31   6.773  10.377  10.377
  233   2HA   GLY  31          2HA       GLY  31   7.817   9.797   9.797
  234    H    GLY  32           HN       GLY  32   5.289   8.560   8.560
  235   1HA   GLY  32          1HA       GLY  32   3.313   7.889   7.889
  236   2HA   GLY  32          2HA       GLY  32   4.416   6.521   6.521
  237    H    CYS  33           HN       CYS  33   2.266   5.596   5.596
  238    HA   CYS  33           HA       CYS  33   2.776   4.960   4.960
  239   1HB   CYS  33          2HB       CYS  33   0.245   4.358   4.358
  240   2HB   CYS  33          3HB       CYS  33   0.665   3.705   3.705
  241    H    ASP  34           HN       ASP  34   3.125   2.785   2.785
  242    HA   ASP  34           HA       ASP  34   3.526   1.015   1.015
  243   1HB   ASP  34          2HB       ASP  34   5.462   2.570   2.570
  244   2HB   ASP  34          3HB       ASP  34   6.034   2.048   2.048
  245    H    SER  35           HN       SER  35   2.002   0.428   0.428
  246    HA   SER  35           HA       SER  35   1.495  -1.226  -1.226
  247   1HB   SER  35          2HB       SER  35   2.529  -3.451  -3.451
  248   2HB   SER  35          3HB       SER  35   1.930  -2.574  -2.574
  249    HG   SER  35           HG       SER  35   4.605  -2.146  -2.146
  250    H    PHE  36           HN       PHE  36   2.348  -2.965  -2.965
  251    HA   PHE  36           HA       PHE  36   4.815  -3.202  -3.202
  252   1HB   PHE  36          2HB       PHE  36   4.297  -2.225  -2.225
  253   2HB   PHE  36          3HB       PHE  36   4.517  -0.984  -0.984
  254    HD1  PHE  36          2HD       PHE  36   1.252  -1.557  -1.557
  255    HD2  PHE  36          1HD       PHE  36   3.700  -0.291  -0.291
  256    HE1  PHE  36          2HE       PHE  36  -0.537  -0.082  -0.082
  257    HE2  PHE  36          1HE       PHE  36   1.724   0.844   0.844
  258    HZ   PHE  36           HZ       PHE  36  -0.481   0.625   0.625
  259    H    TRP  37           HN       TRP  37   4.397  -4.333  -4.333
  260    HA   TRP  37           HA       TRP  37   1.972  -6.035  -6.035
  261   1HB   TRP  37          2HB       TRP  37   4.827  -6.701  -6.701
  262   2HB   TRP  37          3HB       TRP  37   3.470  -7.821  -7.821
  263    HD1  TRP  37           HD1      TRP  37   5.948  -5.875  -5.875
  264    HE1  TRP  37           HE1      TRP  37   5.880  -6.716  -6.716
  265    HE3  TRP  37           HE3      TRP  37   1.853  -8.919  -8.919
  266    HZ2  TRP  37           HZ2      TRP  37   4.248  -8.506  -8.506
  267    HZ3  TRP  37           HZ3      TRP  37   0.936  -9.977  -9.977
  268    HH2  TRP  37           HH2      TRP  37   2.261  -9.985  -9.985
  269    H    ILE  38           HN       ILE  38   1.042  -6.377  -6.377
  270    HA   ILE  38           HA       ILE  38   1.708  -4.371  -4.371
  271    HB   ILE  38           HB       ILE  38  -0.414  -6.463  -6.463
  272   1HG1  ILE  38          2HG1      ILE  38  -0.297  -4.244  -4.244
  273   2HG1  ILE  38          3HG1      ILE  38  -0.915  -5.874  -5.874
  274   1HG2  ILE  38          1HG2      ILE  38   0.211  -4.783  -4.783
  275   2HG2  ILE  38          2HG2      ILE  38  -0.189  -3.484  -3.484
  276   3HG2  ILE  38          3HG2      ILE  38  -1.451  -4.602  -4.602
  277   1HD1  ILE  38          3HD1      ILE  38  -2.246  -3.615  -3.615
  278   2HD1  ILE  38          1HD1      ILE  38  -2.661  -4.210  -4.210
  279   3HD1  ILE  38          2HD1      ILE  38  -2.834  -5.304  -5.304
  280    H    CYS  39           HN       CYS  39   1.990  -7.843  -7.843
  281    HA   CYS  39           HA       CYS  39   3.465  -9.240  -9.240
  282   1HB   CYS  39          2HB       CYS  39   4.968  -7.187  -7.187
  283   2HB   CYS  39          3HB       CYS  39   4.708  -7.255  -7.255
  284    HA   PRO  40           HA       PRO  40   0.922 -10.361 -10.361
  285   1HB   PRO  40          2HB       PRO  40   2.110 -12.640 -12.640
  286   2HB   PRO  40          3HB       PRO  40   1.318 -12.532 -12.532
  287   1HG   PRO  40          2HG       PRO  40   4.257 -12.473 -12.473
  288   2HG   PRO  40          3HG       PRO  40   3.422 -13.226 -13.226
  289   1HD   PRO  40          2HD       PRO  40   4.675 -10.691 -10.691
  290   2HD   PRO  40          3HD       PRO  40   3.504 -11.191 -11.191
  291    H    GLU  41           HN       GLU  41   4.311  -9.819  -9.819
  292    HA   GLU  41           HA       GLU  41   4.314  -9.733  -9.733
  293   1HB   GLU  41          2HB       GLU  41   6.151  -9.391  -9.391
  294   2HB   GLU  41          3HB       GLU  41   5.866  -7.677  -7.677
  295   1HG   GLU  41          2HG       GLU  41   6.505  -9.691  -9.691
  296   2HG   GLU  41          3HG       GLU  41   7.763  -8.983  -8.983
  297    H    ASP  42           HN       ASP  42   3.284  -7.296  -7.296
  298    HA   ASP  42           HA       ASP  42   2.379  -5.453  -5.453
  299   1HB   ASP  42          2HB       ASP  42   3.502  -4.844  -4.844
  300   2HB   ASP  42          3HB       ASP  42   1.841  -4.995  -4.995
  301    H    HIS  43           HN       HIS  43   0.095  -4.683  -4.683
  302    HA   HIS  43           HA       HIS  43  -1.669  -6.164  -6.164
  303   1HB   HIS  43          2HB       HIS  43  -1.147  -7.593  -7.593
  304   2HB   HIS  43          3HB       HIS  43  -2.548  -6.684  -6.684
  305    HD1  HIS  43           HD1      HIS  43  -3.973  -9.044  -9.044
  306    HD2  HIS  43           HD2      HIS  43  -2.107  -8.074  -8.074
  307    HE1  HIS  43           HE1      HIS  43  -4.866 -10.656 -10.656
  308    H    THR  44           HN       THR  44  -1.505  -3.978  -3.978
  309    HA   THR  44           HA       THR  44  -2.486  -1.934  -1.934
  310    HB   THR  44           HB       THR  44  -0.691  -1.559  -1.559
  311    HG1  THR  44          1HG       THR  44  -1.208   0.296   0.296
  312   1HG2  THR  44          2HG2      THR  44  -2.515  -2.416  -2.416
  313   2HG2  THR  44          3HG2      THR  44  -1.026  -1.482  -1.482
  314   3HG2  THR  44          1HG2      THR  44  -0.933  -3.071  -3.071
  315    H    GLY  45           HN       GLY  45  -4.526  -4.195  -4.195
  316   1HA   GLY  45          1HA       GLY  45  -6.771  -4.177  -4.177
  317   2HA   GLY  45          2HA       GLY  45  -6.795  -2.412  -2.412
  318    H    ALA  46           HN       ALA  46  -4.620  -2.244  -2.244
  319    HA   ALA  46           HA       ALA  46  -4.315  -2.061  -2.061
  320   1HB   ALA  46          2HB       ALA  46  -3.836  -4.376  -4.376
  321   2HB   ALA  46          3HB       ALA  46  -5.526  -4.840  -4.840
  322   3HB   ALA  46          1HB       ALA  46  -4.584  -4.034  -4.034
  323    H    ASP  47           HN       ASP  47  -5.582  -0.291  -0.291
  324    HA   ASP  47           HA       ASP  47  -8.167  -0.475  -0.475
  325   1HB   ASP  47          2HB       ASP  47  -8.438   0.164   0.164
  326   2HB   ASP  47          3HB       ASP  47  -7.190   1.393   1.393
  327    H    TYR  48           HN       TYR  48  -7.633   0.303   0.303
  328    HA   TYR  48           HA       TYR  48  -5.722   2.479   2.479
  329   1HB   TYR  48          2HB       TYR  48  -4.161   1.044   1.044
  330   2HB   TYR  48          3HB       TYR  48  -4.145   0.727   0.727
  331    HD1  TYR  48           HD1      TYR  48  -5.431  -0.600  -0.600
  332    HD2  TYR  48           HD2      TYR  48  -4.570  -1.415  -1.415
  333    HE1  TYR  48           HE1      TYR  48  -6.865  -2.642  -2.642
  334    HE2  TYR  48           HE2      TYR  48  -5.879  -3.543  -3.543
  335    HH   TYR  48           HH       TYR  48  -7.046  -4.921  -4.921
  336    H    TYR  49           HN       TYR  49  -5.343   2.786   2.786
  337    HA   TYR  49           HA       TYR  49  -7.876   2.638   2.638
  338   1HB   TYR  49          2HB       TYR  49  -5.115   3.609   3.609
  339   2HB   TYR  49          3HB       TYR  49  -6.300   3.377   3.377
  340    HD1  TYR  49           HD1      TYR  49  -8.839   4.299   4.299
  341    HD2  TYR  49           HD2      TYR  49  -4.981   5.900   5.900
  342    HE1  TYR  49           HE1      TYR  49  -9.886   6.447   6.447
  343    HE2  TYR  49           HE2      TYR  49  -6.074   8.033   8.033
  344    HH   TYR  49           HH       TYR  49  -9.550   8.578   8.578
  345    H    SER  50           HN       SER  50  -8.684   0.910   0.910
  346    HA   SER  50           HA       SER  50  -7.222  -1.515  -1.515
  347   1HB   SER  50          2HB       SER  50  -9.444  -2.311  -2.311
  348   2HB   SER  50          3HB       SER  50  -9.494  -1.697  -1.697
  349    HG   SER  50           HG       SER  50 -10.276   0.252   0.252
  350    H    SER  51           HN       SER  51  -7.113   0.886   0.886
  351    HA   SER  51           HA       SER  51  -6.157  -1.160  -1.160
  352   1HB   SER  51          2HB       SER  51  -7.069   0.120   0.120
  353   2HB   SER  51          3HB       SER  51  -8.362  -0.524  -0.524
  354    HG   SER  51           HG       SER  51  -8.574   1.552   1.552
  355    H    TYR  52           HN       TYR  52  -4.435  -0.487  -0.487
  356    HA   TYR  52           HA       TYR  52  -2.593   1.385   1.385
  357   1HB   TYR  52          2HB       TYR  52  -2.077  -0.471  -0.471
  358   2HB   TYR  52          3HB       TYR  52  -2.953   0.437   0.437
  359    HD1  TYR  52           HD1      TYR  52  -2.080   2.588   2.588
  360    HD2  TYR  52           HD2      TYR  52   0.232   0.040   0.040
  361    HE1  TYR  52           HE1      TYR  52   0.014   3.606   3.606
  362    HE2  TYR  52           HE2      TYR  52   2.306   1.036   1.036
  363    HH   TYR  52           HH       TYR  52   3.214   2.504   2.504
  364    H    ARG  53           HN       ARG  53  -4.934   1.680   1.680
  365    HA   ARG  53           HA       ARG  53  -4.282   4.318   4.318
  366   1HB   ARG  53          2HB       ARG  53  -6.329   4.523   4.523
  367   2HB   ARG  53          3HB       ARG  53  -5.597   2.945   2.945
  368   1HG   ARG  53          2HG       ARG  53  -7.822   2.486   2.486
  369   2HG   ARG  53          3HG       ARG  53  -7.194   2.019   2.019
  370   1HD   ARG  53          2HD       ARG  53  -8.393   3.749   3.749
  371   2HD   ARG  53          3HD       ARG  53  -8.420   4.789   4.789
  372    HE   ARG  53           HE       ARG  53  -9.955   2.270   2.270
  373   1HH1  ARG  53          2HH2      ARG  53 -10.221   5.240   5.240
  374   2HH1  ARG  53          1HH2      ARG  53 -11.727   5.705   5.705
  375   1HH2  ARG  53          2HH1      ARG  53 -12.102   2.437   2.437
  376   2HH2  ARG  53          1HH1      ARG  53 -13.028   3.791   3.791
  377    H    ASP  54           HN       ASP  54  -6.452   3.168   3.168
  378    HA   ASP  54           HA       ASP  54  -7.521   5.813   5.813
  379   1HB   ASP  54          2HB       ASP  54  -7.489   3.218   3.218
  380   2HB   ASP  54          3HB       ASP  54  -7.798   4.744   4.744
  381    H    CYS  55           HN       CYS  55  -4.880   3.924   3.924
  382    HA   CYS  55           HA       CYS  55  -4.043   5.990   5.990
  383   1HB   CYS  55          2HB       CYS  55  -3.245   3.683   3.683
  384   2HB   CYS  55          3HB       CYS  55  -2.399   3.873   3.873
  385    H    PHE  56           HN       PHE  56  -3.030   5.254   5.254
  386    HA   PHE  56           HA       PHE  56  -1.061   7.227   7.227
  387   1HB   PHE  56          2HB       PHE  56  -1.601   5.257   5.257
  388   2HB   PHE  56          3HB       PHE  56  -2.819   6.283   6.283
  389    HD1  PHE  56          2HD       PHE  56  -2.003   8.570   8.570
  390    HD2  PHE  56          1HD       PHE  56   0.684   5.385   5.385
  391    HE1  PHE  56          2HE       PHE  56  -0.276   9.444   9.444
  392    HE2  PHE  56          1HE       PHE  56   2.385   6.253   6.253
  393    HZ   PHE  56           HZ       PHE  56   1.899   8.264   8.264
  394    H    ASN  57           HN       ASN  57  -4.538   7.424   7.424
  395    HA   ASN  57           HA       ASN  57  -4.243  10.214  10.214
  396   1HB   ASN  57          2HB       ASN  57  -6.711   8.487   8.487
  397   2HB   ASN  57          3HB       ASN  57  -6.788  10.188  10.188
  398   1HD2  ASN  57          2HD2      ASN  57  -6.002   7.380   7.380
  399   2HD2  ASN  57          1HD2      ASN  57  -6.052   6.963   6.963
  400    H    ALA  58           HN       ALA  58  -4.883   8.574   8.574
  401    HA   ALA  58           HA       ALA  58  -6.027  10.865  10.865
  402   1HB   ALA  58          1HB       ALA  58  -4.731   8.401   8.401
  403   2HB   ALA  58          2HB       ALA  58  -5.645   9.628   9.628
  404   3HB   ALA  58          3HB       ALA  58  -6.457   8.654   8.654
  405    H    CYS  59           HN       CYS  59  -2.622   9.689   9.689
  406    HA   CYS  59           HA       CYS  59  -1.782  12.127  12.127
  407   1HB   CYS  59          2HB       CYS  59  -0.203   9.659   9.659
  408   2HB   CYS  59          3HB       CYS  59   0.446  11.115  11.115
  409    H    ILE  60           HN       ILE  60  -1.516  10.755  10.755
  410    HA   ILE  60           HA       ILE  60   0.994  12.240  12.240
  411    HB   ILE  60           HB       ILE  60  -0.142  10.071  10.071
  412   1HG1  ILE  60          2HG1      ILE  60   0.017   9.105   9.105
  413   2HG1  ILE  60          3HG1      ILE  60   1.221   8.449   8.449
  414   1HG2  ILE  60          1HG2      ILE  60   1.650  11.477  11.477
  415   2HG2  ILE  60          2HG2      ILE  60   2.690  11.108  11.108
  416   3HG2  ILE  60          3HG2      ILE  60   2.195   9.814   9.814
  417   1HD1  ILE  60          2HD1      ILE  60   1.739  10.571  10.571
  418   2HD1  ILE  60          3HD1      ILE  60   2.071   8.845   8.845
  419   3HD1  ILE  60          1HD1      ILE  60   2.975   9.809   9.809

  Start of MODEL    6
    1    H    TYR   1           HN       TYR   1  -3.605  13.189  13.189
    2    HA   TYR   1           HA       TYR   1  -5.526  11.918  11.918
    3   1HB   TYR   1          2HB       TYR   1  -4.266  13.887  13.887
    4   2HB   TYR   1          3HB       TYR   1  -3.013  12.809  12.809
    5    HD1  TYR   1           HD2      TYR   1  -6.770  12.266  12.266
    6    HD2  TYR   1           HD1      TYR   1  -3.144  13.490  13.490
    7    HE1  TYR   1           HE2      TYR   1  -8.011  12.520  12.520
    8    HE2  TYR   1           HE1      TYR   1  -4.394  13.645  13.645
    9    HH   TYR   1           HH       TYR   1  -6.394  13.254  13.254
   10    H    ASN   2           HN       ASN   2  -5.554   9.624   9.624
   11    HA   ASN   2           HA       ASN   2  -3.323   7.960   7.960
   12   1HB   ASN   2          2HB       ASN   2  -5.730   7.288   7.288
   13   2HB   ASN   2          3HB       ASN   2  -4.640   6.078   6.078
   14   1HD2  ASN   2          2HD2      ASN   2  -2.562   6.264   6.264
   15   2HD2  ASN   2          1HD2      ASN   2  -3.277   5.305   5.305
   16    H    ARG   3           HN       ARG   3  -4.564   9.285   9.285
   17    HA   ARG   3           HA       ARG   3  -6.810   7.688   7.688
   18   1HB   ARG   3          2HB       ARG   3  -6.591  10.144  10.144
   19   2HB   ARG   3          3HB       ARG   3  -5.393   9.943   9.943
   20   1HG   ARG   3          2HG       ARG   3  -8.249   8.826   8.826
   21   2HG   ARG   3          3HG       ARG   3  -7.824  10.446  10.446
   22   1HD   ARG   3          2HD       ARG   3  -7.470   9.718   9.718
   23   2HD   ARG   3          3HD       ARG   3  -6.020   8.968   8.968
   24    HE   ARG   3           HE       ARG   3  -7.058   6.848   6.848
   25   1HH1  ARG   3          2HH2      ARG   3  -9.475   9.404   9.404
   26   2HH1  ARG   3          1HH2      ARG   3 -10.602   8.359   8.359
   27   1HH2  ARG   3          2HH1      ARG   3  -8.719   5.379   5.379
   28   2HH2  ARG   3          1HH1      ARG   3 -10.113   6.075   6.075
   29    H    LEU   4           HN       LEU   4  -6.793   6.226   6.226
   30    HA   LEU   4           HA       LEU   4  -4.682   4.593   4.593
   31   1HB   LEU   4          2HB       LEU   4  -6.627   4.821   4.821
   32   2HB   LEU   4          3HB       LEU   4  -5.748   3.442   3.442
   33    HG   LEU   4           HG       LEU   4  -8.037   4.840   4.840
   34   1HD1  LEU   4          1HD1      LEU   4  -8.277   3.045   3.045
   35   2HD1  LEU   4          2HD1      LEU   4  -8.058   1.922   1.922
   36   3HD1  LEU   4          3HD1      LEU   4  -9.375   3.072   3.072
   37   1HD2  LEU   4          2HD2      LEU   4  -6.048   2.831   2.831
   38   2HD2  LEU   4          3HD2      LEU   4  -6.808   4.144   4.144
   39   3HD2  LEU   4          1HD2      LEU   4  -7.734   2.682   2.682
   40    H    CYS   5           HN       CYS   5  -4.610   7.665   7.665
   41    HA   CYS   5           HA       CYS   5  -2.973   6.948   6.948
   42   1HB   CYS   5          2HB       CYS   5  -4.256   8.990   8.990
   43   2HB   CYS   5          3HB       CYS   5  -3.664   9.600   9.600
   44    H    ILE   6           HN       ILE   6  -2.494   8.731   8.731
   45    HA   ILE   6           HA       ILE   6   0.316   8.622   8.622
   46    HB   ILE   6           HB       ILE   6  -1.866   8.830   8.830
   47   1HG1  ILE   6          2HG1      ILE   6  -1.345  11.181  11.181
   48   2HG1  ILE   6          3HG1      ILE   6  -0.233  11.006  11.006
   49   1HG2  ILE   6          2HG2      ILE   6   1.136   9.467   9.467
   50   2HG2  ILE   6          3HG2      ILE   6  -0.018   9.887   9.887
   51   3HG2  ILE   6          1HG2      ILE   6   0.330   8.191   8.191
   52   1HD1  ILE   6          2HD1      ILE   6  -3.232  10.498  10.498
   53   2HD1  ILE   6          3HD1      ILE   6  -2.458  12.047  12.047
   54   3HD1  ILE   6          1HD1      ILE   6  -2.120  10.660  10.660
   55    H    LYS   7           HN       LYS   7   1.666   6.910   6.910
   56    HA   LYS   7           HA       LYS   7   0.556   4.284   4.284
   57   1HB   LYS   7          2HB       LYS   7   2.720   4.579   4.579
   58   2HB   LYS   7          3HB       LYS   7   3.332   5.484   5.484
   59   1HG   LYS   7          2HG       LYS   7   3.058   3.373   3.373
   60   2HG   LYS   7          3HG       LYS   7   2.618   2.519   2.519
   61   1HD   LYS   7          2HD       LYS   7   4.827   3.273   3.273
   62   2HD   LYS   7          3HD       LYS   7   5.162   4.094   4.094
   63   1HE   LYS   7          2HE       LYS   7   5.194   1.837   1.837
   64   2HE   LYS   7          3HE       LYS   7   5.082   1.074   1.074
   65   1HZ   LYS   7          2HZ       LYS   7   7.230   2.903   2.903
   66   2HZ   LYS   7          3HZ       LYS   7   7.281   1.237   1.237
   67   3HZ   LYS   7          1HZ       LYS   7   7.065   1.992   1.992
   68    HA   PRO   8           HA       PRO   8   0.555   5.599   5.599
   69   1HB   PRO   8          2HB       PRO   8  -1.181   3.802   3.802
   70   2HB   PRO   8          3HB       PRO   8  -1.818   5.212   5.212
   71   1HG   PRO   8          2HG       PRO   8  -1.422   2.389   2.389
   72   2HG   PRO   8          3HG       PRO   8  -2.803   3.471   3.471
   73   1HD   PRO   8          2HD       PRO   8  -0.590   3.045   3.045
   74   2HD   PRO   8          3HD       PRO   8  -1.696   4.436   4.436
   75    H    ARG   9           HN       ARG   9   1.900   4.270   4.270
   76    HA   ARG   9           HA       ARG   9   2.666   2.367   2.367
   77   1HB   ARG   9          2HB       ARG   9   0.624   1.240   1.240
   78   2HB   ARG   9          3HB       ARG   9   1.840   0.659   0.659
   79   1HG   ARG   9          2HG       ARG   9   1.805  -1.079  -1.079
   80   2HG   ARG   9          3HG       ARG   9   3.091  -0.171  -0.171
   81   1HD   ARG   9          2HD       ARG   9   0.114  -0.281  -0.281
   82   2HD   ARG   9          3HD       ARG   9   1.368  -1.220  -1.220
   83    HE   ARG   9           HE       ARG   9   0.646   1.540   1.540
   84   1HH1  ARG   9          2HH2      ARG   9   3.314  -0.827  -0.827
   85   2HH1  ARG   9          1HH2      ARG   9   4.069   0.008   0.008
   86   1HH2  ARG   9          2HH1      ARG   9   1.565   2.490   2.490
   87   2HH2  ARG   9          1HH1      ARG   9   2.755   1.547   1.547
   88    H    ASP  10           HN       ASP  10   4.731   2.616   2.616
   89    HA   ASP  10           HA       ASP  10   6.444   3.299   3.299
   90   1HB   ASP  10          2HB       ASP  10   8.262   2.261   2.261
   91   2HB   ASP  10          3HB       ASP  10   7.380   3.699   3.699
   92    H    TRP  11           HN       TRP  11   5.464  -0.022  -0.022
   93    HA   TRP  11           HA       TRP  11   5.760  -1.960  -1.960
   94   1HB   TRP  11          2HB       TRP  11   3.636  -0.837  -0.837
   95   2HB   TRP  11          3HB       TRP  11   4.264   0.102   0.102
   96    HD1  TRP  11           HD1      TRP  11   5.479  -3.020  -3.020
   97    HE1  TRP  11           HE1      TRP  11   3.913  -4.187  -4.187
   98    HE3  TRP  11           HE3      TRP  11   1.202  -0.340  -0.340
   99    HZ2  TRP  11           HZ2      TRP  11   1.284  -3.717  -3.717
  100    HZ3  TRP  11           HZ3      TRP  11  -0.911  -0.989  -0.989
  101    HH2  TRP  11           HH2      TRP  11  -0.784  -2.431  -2.431
  102    H    ILE  12           HN       ILE  12   7.786  -2.742  -2.742
  103    HA   ILE  12           HA       ILE  12   9.456  -1.067  -1.067
  104    HB   ILE  12           HB       ILE  12  10.602  -1.726  -1.726
  105   1HG1  ILE  12          2HG1      ILE  12  10.478  -4.485  -4.485
  106   2HG1  ILE  12          3HG1      ILE  12  11.366  -3.006  -3.006
  107   1HG2  ILE  12          2HG2      ILE  12   8.728  -2.306  -2.306
  108   2HG2  ILE  12          3HG2      ILE  12   8.758  -3.969  -3.969
  109   3HG2  ILE  12          1HG2      ILE  12  10.122  -3.340  -3.340
  110   1HD1  ILE  12          1HD1      ILE  12  12.564  -3.099  -3.099
  111   2HD1  ILE  12          2HD1      ILE  12  11.781  -4.660  -4.660
  112   3HD1  ILE  12          3HD1      ILE  12  12.914  -4.519  -4.519
  113    H    ASP  13           HN       ASP  13   7.102  -2.265  -2.265
  114    HA   ASP  13           HA       ASP  13   6.443  -3.977  -3.977
  115   1HB   ASP  13          2HB       ASP  13   7.193  -3.419  -3.419
  116   2HB   ASP  13          3HB       ASP  13   6.872  -1.960  -1.960
  117    H    GLU  14           HN       GLU  14   7.802  -5.350  -5.350
  118    HA   GLU  14           HA       GLU  14  10.083  -6.730  -6.730
  119   1HB   GLU  14          2HB       GLU  14   9.281  -8.226  -8.226
  120   2HB   GLU  14          3HB       GLU  14  10.329  -6.820  -6.820
  121   1HG   GLU  14          2HG       GLU  14   8.410  -5.361  -5.361
  122   2HG   GLU  14          3HG       GLU  14   7.314  -6.750  -6.750
  123    H    CYS  15           HN       CYS  15   6.955  -8.085  -8.085
  124    HA   CYS  15           HA       CYS  15   7.247 -10.639 -10.639
  125   1HB   CYS  15          2HB       CYS  15   4.813  -8.916  -8.916
  126   2HB   CYS  15          3HB       CYS  15   4.602 -10.495 -10.495
  127    H    ASP  16           HN       ASP  16   6.166 -11.820 -11.820
  128    HA   ASP  16           HA       ASP  16   6.320 -10.393 -10.393
  129   1HB   ASP  16          2HB       ASP  16   6.694 -13.326 -13.326
  130   2HB   ASP  16          3HB       ASP  16   6.678 -12.664 -12.664
  131    H    SER  17           HN       SER  17   4.890 -11.860 -11.860
  132    HA   SER  17           HA       SER  17   2.156 -11.455 -11.455
  133   1HB   SER  17          2HB       SER  17   3.034 -11.514 -11.514
  134   2HB   SER  17          3HB       SER  17   3.020 -13.260 -13.260
  135    HG   SER  17           HG       SER  17   0.795 -11.545 -11.545
  136    H    ASN  18           HN       ASN  18   0.634 -12.941 -12.941
  137    HA   ASN  18           HA       ASN  18  -0.270 -14.825 -14.825
  138   1HB   ASN  18          2HB       ASN  18   1.111 -15.820 -15.820
  139   2HB   ASN  18          3HB       ASN  18   2.004 -16.616 -16.616
  140   1HD2  ASN  18          2HD2      ASN  18  -1.762 -17.816 -17.816
  141   2HD2  ASN  18          1HD2      ASN  18  -0.948 -16.443 -16.443
  142    H    GLU  19           HN       GLU  19   1.921 -13.157 -13.157
  143    HA   GLU  19           HA       GLU  19   2.340 -14.980 -14.980
  144   1HB   GLU  19          2HB       GLU  19   4.391 -14.326 -14.326
  145   2HB   GLU  19          3HB       GLU  19   4.608 -13.158 -13.158
  146   1HG   GLU  19          2HG       GLU  19   4.694 -14.979 -14.979
  147   2HG   GLU  19          3HG       GLU  19   4.289 -16.163 -16.163
  148    H    GLY  20           HN       GLY  20   1.357 -14.014 -14.014
  149   1HA   GLY  20          1HA       GLY  20   0.654 -12.368 -12.368
  150   2HA   GLY  20          2HA       GLY  20   1.779 -11.247 -11.247
  151    H    GLY  21           HN       GLY  21   1.145 -10.345 -10.345
  152   1HA   GLY  21          1HA       GLY  21  -1.593  -9.316  -9.316
  153   2HA   GLY  21          2HA       GLY  21  -0.197  -8.624  -8.624
  154    H    GLU  22           HN       GLU  22  -1.994  -8.154  -8.154
  155    HA   GLU  22           HA       GLU  22  -1.596  -9.926  -9.926
  156   1HB   GLU  22          2HB       GLU  22  -3.996  -8.094  -8.094
  157   2HB   GLU  22          3HB       GLU  22  -3.654  -8.977  -8.977
  158   1HG   GLU  22          2HG       GLU  22  -3.771 -11.143 -11.143
  159   2HG   GLU  22          3HG       GLU  22  -4.304 -10.162 -10.162
  160    H    ARG  23           HN       ARG  23  -1.930  -8.173  -8.173
  161    HA   ARG  23           HA       ARG  23   0.165  -6.250  -6.250
  162   1HB   ARG  23          2HB       ARG  23  -1.085  -7.416  -7.416
  163   2HB   ARG  23          3HB       ARG  23  -1.400  -5.689  -5.689
  164   1HG   ARG  23          2HG       ARG  23   0.958  -5.183  -5.183
  165   2HG   ARG  23          3HG       ARG  23   1.373  -6.827  -6.827
  166   1HD   ARG  23          2HD       ARG  23   0.272  -7.474  -7.474
  167   2HD   ARG  23          3HD       ARG  23   0.289  -5.764  -5.764
  168    HE   ARG  23           HE       ARG  23   2.917  -6.372  -6.372
  169   1HH1  ARG  23          2HH2      ARG  23   0.493  -7.388  -7.388
  170   2HH1  ARG  23          1HH2      ARG  23   1.663  -8.049  -8.049
  171   1HH2  ARG  23          2HH1      ARG  23   4.432  -7.167  -7.167
  172   2HH2  ARG  23          1HH1      ARG  23   3.978  -8.031  -8.031
  173    H    ALA  24           HN       ALA  24  -0.017  -3.959  -3.959
  174    HA   ALA  24           HA       ALA  24  -2.685  -2.722  -2.722
  175   1HB   ALA  24          2HB       ALA  24  -0.921  -2.775  -2.775
  176   2HB   ALA  24          3HB       ALA  24  -2.193  -1.571  -1.571
  177   3HB   ALA  24          1HB       ALA  24  -2.602  -3.288  -3.288
  178    H    TYR  25           HN       TYR  25  -2.529  -0.400  -0.400
  179    HA   TYR  25           HA       TYR  25   0.065   0.476   0.476
  180   1HB   TYR  25          2HB       TYR  25  -2.837   0.952   0.952
  181   2HB   TYR  25          3HB       TYR  25  -1.475   1.725   1.725
  182    HD1  TYR  25           HD2      TYR  25   0.184   0.291   0.291
  183    HD2  TYR  25           HD1      TYR  25  -3.384  -1.408  -1.408
  184    HE1  TYR  25           HE2      TYR  25   0.448  -1.714  -1.714
  185    HE2  TYR  25           HE1      TYR  25  -3.151  -3.381  -3.381
  186    HH   TYR  25           HH       TYR  25  -1.818  -4.455  -4.455
  187    H    PHE  26           HN       PHE  26   0.885   2.325   2.325
  188    HA   PHE  26           HA       PHE  26  -0.840   4.354   4.354
  189   1HB   PHE  26          2HB       PHE  26   1.293   2.905   2.905
  190   2HB   PHE  26          3HB       PHE  26   0.591   4.451   4.451
  191    HD1  PHE  26          1HD       PHE  26  -0.399   0.933   0.933
  192    HD2  PHE  26          2HD       PHE  26  -1.567   4.559   4.559
  193    HE1  PHE  26          1HE       PHE  26  -1.465  -0.380  -0.380
  194    HE2  PHE  26          2HE       PHE  26  -2.898   3.265   3.265
  195    HZ   PHE  26           HZ       PHE  26  -2.548   0.768   0.768
  196    H    ARG  27           HN       ARG  27   0.570   6.275   6.275
  197    HA   ARG  27           HA       ARG  27   1.761   7.076   7.076
  198   1HB   ARG  27          2HB       ARG  27   0.625   8.519   8.519
  199   2HB   ARG  27          3HB       ARG  27   1.928   8.297   8.297
  200   1HG   ARG  27          2HG       ARG  27   3.449   9.576   9.576
  201   2HG   ARG  27          3HG       ARG  27   2.481   9.467   9.467
  202   1HD   ARG  27          2HD       ARG  27   0.938  11.113  11.113
  203   2HD   ARG  27          3HD       ARG  27   1.172  10.683  10.683
  204    HE   ARG  27           HE       ARG  27   2.678  12.310  12.310
  205   1HH1  ARG  27          2HH2      ARG  27   2.721  11.373  11.373
  206   2HH1  ARG  27          1HH2      ARG  27   3.348  12.877  12.877
  207   1HH2  ARG  27          2HH1      ARG  27   3.790  14.222  14.222
  208   2HH2  ARG  27          1HH1      ARG  27   4.188  14.462  14.462
  209    H    ASN  28           HN       ASN  28   3.847   7.500   7.500
  210    HA   ASN  28           HA       ASN  28   6.064   7.160   7.160
  211   1HB   ASN  28          2HB       ASN  28   7.509   6.332   6.332
  212   2HB   ASN  28          3HB       ASN  28   6.033   5.398   5.398
  213   1HD2  ASN  28          2HD2      ASN  28   6.610   5.798   5.798
  214   2HD2  ASN  28          1HD2      ASN  28   6.597   4.740   4.740
  215    H    GLY  29           HN       GLY  29   7.893   8.596   8.596
  216   1HA   GLY  29          1HA       GLY  29   6.865  11.313  11.313
  217   2HA   GLY  29          2HA       GLY  29   8.300  10.900  10.900
  218    H    LYS  30           HN       LYS  30   7.934   8.978   8.978
  219    HA   LYS  30           HA       LYS  30  10.139  10.419  10.419
  220   1HB   LYS  30          2HB       LYS  30   8.663   7.831   7.831
  221   2HB   LYS  30          3HB       LYS  30   9.973   8.512   8.512
  222   1HG   LYS  30          2HG       LYS  30  10.295   7.852   7.852
  223   2HG   LYS  30          3HG       LYS  30  10.546   6.642   6.642
  224   1HD   LYS  30          2HD       LYS  30  12.004   9.253   9.253
  225   2HD   LYS  30          3HD       LYS  30  12.489   8.315   8.315
  226   1HE   LYS  30          2HE       LYS  30  13.813   7.882   7.882
  227   2HE   LYS  30          3HE       LYS  30  13.170   6.447   6.447
  228   1HZ   LYS  30          1HZ       LYS  30  11.788   7.616   7.616
  229   2HZ   LYS  30          2HZ       LYS  30  13.010   6.535   6.535
  230   3HZ   LYS  30          3HZ       LYS  30  11.676   6.077   6.077
  231    H    GLY  31           HN       GLY  31   6.754   9.529   9.529
  232   1HA   GLY  31          1HA       GLY  31   5.265  11.324  11.324
  233   2HA   GLY  31          2HA       GLY  31   6.379  11.241  11.241
  234    H    GLY  32           HN       GLY  32   4.852   8.856   8.856
  235   1HA   GLY  32          1HA       GLY  32   3.251   7.577   7.577
  236   2HA   GLY  32          2HA       GLY  32   4.747   6.671   6.671
  237    H    CYS  33           HN       CYS  33   2.618   5.353   5.353
  238    HA   CYS  33           HA       CYS  33   2.604   5.768   5.768
  239   1HB   CYS  33          2HB       CYS  33   0.653   4.230   4.230
  240   2HB   CYS  33          3HB       CYS  33   0.925   3.904   3.904
  241    H    ASP  34           HN       ASP  34   3.506   4.157   4.157
  242    HA   ASP  34           HA       ASP  34   5.146   2.131   2.131
  243   1HB   ASP  34          2HB       ASP  34   5.409   3.411   3.411
  244   2HB   ASP  34          3HB       ASP  34   5.798   1.710   1.710
  245    H    SER  35           HN       SER  35   5.076   0.082   0.082
  246    HA   SER  35           HA       SER  35   2.448  -0.516  -0.516
  247   1HB   SER  35          2HB       SER  35   2.336  -2.599  -2.599
  248   2HB   SER  35          3HB       SER  35   1.724  -1.039  -1.039
  249    HG   SER  35           HG       SER  35   3.360  -0.793  -0.793
  250    H    PHE  36           HN       PHE  36   2.454  -2.785  -2.785
  251    HA   PHE  36           HA       PHE  36   4.977  -4.119  -4.119
  252   1HB   PHE  36          2HB       PHE  36   4.485  -3.868  -3.868
  253   2HB   PHE  36          3HB       PHE  36   5.230  -2.545  -2.545
  254    HD1  PHE  36          2HD       PHE  36   1.590  -2.722  -2.722
  255    HD2  PHE  36          1HD       PHE  36   4.832  -1.315  -1.315
  256    HE1  PHE  36          2HE       PHE  36   0.241  -0.933  -0.933
  257    HE2  PHE  36          1HE       PHE  36   3.223   0.276   0.276
  258    HZ   PHE  36           HZ       PHE  36   1.057   0.676   0.676
  259    H    TRP  37           HN       TRP  37   4.455  -5.878  -5.878
  260    HA   TRP  37           HA       TRP  37   1.673  -6.855  -6.855
  261   1HB   TRP  37          2HB       TRP  37   4.191  -8.277  -8.277
  262   2HB   TRP  37          3HB       TRP  37   2.607  -8.986  -8.986
  263    HD1  TRP  37           HD1      TRP  37   5.759  -7.961  -7.961
  264    HE1  TRP  37           HE1      TRP  37   5.537  -8.364  -8.364
  265    HE3  TRP  37           HE3      TRP  37   0.813  -9.159  -9.159
  266    HZ2  TRP  37           HZ2      TRP  37   3.337  -8.807  -8.807
  267    HZ3  TRP  37           HZ3      TRP  37  -0.302  -9.550  -9.550
  268    HH2  TRP  37           HH2      TRP  37   1.007  -9.605  -9.605
  269    H    ILE  38           HN       ILE  38   0.664  -7.012  -7.012
  270    HA   ILE  38           HA       ILE  38   1.843  -5.448  -5.448
  271    HB   ILE  38           HB       ILE  38  -0.622  -7.072  -7.072
  272   1HG1  ILE  38          2HG1      ILE  38  -0.584  -4.653  -4.653
  273   2HG1  ILE  38          3HG1      ILE  38  -1.125  -6.272  -6.272
  274   1HG2  ILE  38          2HG2      ILE  38   0.431  -5.679  -5.679
  275   2HG2  ILE  38          3HG2      ILE  38   0.164  -4.234  -4.234
  276   3HG2  ILE  38          1HG2      ILE  38  -1.210  -5.158  -5.158
  277   1HD1  ILE  38          1HD1      ILE  38  -2.893  -6.005  -6.005
  278   2HD1  ILE  38          2HD1      ILE  38  -2.396  -4.274  -4.274
  279   3HD1  ILE  38          3HD1      ILE  38  -3.007  -4.916  -4.916
  280    H    CYS  39           HN       CYS  39   2.252  -6.509  -6.509
  281    HA   CYS  39           HA       CYS  39   3.086  -9.314  -9.314
  282   1HB   CYS  39          2HB       CYS  39   4.935  -7.369  -7.369
  283   2HB   CYS  39          3HB       CYS  39   4.806  -7.359  -7.359
  284    HA   PRO  40           HA       PRO  40   0.461  -9.866  -9.866
  285   1HB   PRO  40          2HB       PRO  40   1.421 -11.703 -11.703
  286   2HB   PRO  40          3HB       PRO  40   1.016 -12.055 -12.055
  287   1HG   PRO  40          2HG       PRO  40   3.727 -11.499 -11.499
  288   2HG   PRO  40          3HG       PRO  40   3.275 -12.757 -12.757
  289   1HD   PRO  40          2HD       PRO  40   4.420 -10.347 -10.347
  290   2HD   PRO  40          3HD       PRO  40   3.311 -11.191 -11.191
  291    H    GLU  41           HN       GLU  41   3.530  -8.935  -8.935
  292    HA   GLU  41           HA       GLU  41   2.463  -8.138  -8.138
  293   1HB   GLU  41          2HB       GLU  41   4.798  -8.378  -8.378
  294   2HB   GLU  41          3HB       GLU  41   4.933  -7.342  -7.342
  295   1HG   GLU  41          2HG       GLU  41   4.569  -5.365  -5.365
  296   2HG   GLU  41          3HG       GLU  41   3.824  -6.241  -6.241
  297    H    ASP  42           HN       ASP  42   3.392  -6.061  -6.061
  298    HA   ASP  42           HA       ASP  42   1.729  -3.780  -3.780
  299   1HB   ASP  42          2HB       ASP  42   3.660  -4.363  -4.363
  300   2HB   ASP  42          3HB       ASP  42   2.518  -3.054  -3.054
  301    H    HIS  43           HN       HIS  43  -0.177  -4.559  -4.559
  302    HA   HIS  43           HA       HIS  43  -1.835  -4.799  -4.799
  303   1HB   HIS  43          2HB       HIS  43  -2.097  -5.998  -5.998
  304   2HB   HIS  43          3HB       HIS  43  -3.536  -5.488  -5.488
  305    HD1  HIS  43           HD1      HIS  43  -4.575  -7.715  -7.715
  306    HD2  HIS  43           HD2      HIS  43  -0.514  -7.271  -7.271
  307    HE1  HIS  43           HE1      HIS  43  -3.983  -9.643  -9.643
  308    H    THR  44           HN       THR  44  -1.586  -2.587  -2.587
  309    HA   THR  44           HA       THR  44  -2.501  -0.686  -0.686
  310    HB   THR  44           HB       THR  44  -0.844  -0.398  -0.398
  311    HG1  THR  44          1HG       THR  44  -2.865   1.588   1.588
  312   1HG2  THR  44          3HG2      THR  44  -2.328  -1.397  -1.397
  313   2HG2  THR  44          1HG2      THR  44  -2.996   0.236   0.236
  314   3HG2  THR  44          2HG2      THR  44  -1.253  -0.039  -0.039
  315    H    GLY  45           HN       GLY  45  -4.347  -2.647  -2.647
  316   1HA   GLY  45          1HA       GLY  45  -6.490  -3.314  -3.314
  317   2HA   GLY  45          2HA       GLY  45  -6.835  -1.753  -1.753
  318    H    ALA  46           HN       ALA  46  -4.180  -2.523  -2.523
  319    HA   ALA  46           HA       ALA  46  -4.075  -2.614  -2.614
  320   1HB   ALA  46          1HB       ALA  46  -5.329  -5.349  -5.349
  321   2HB   ALA  46          2HB       ALA  46  -4.610  -4.677  -4.677
  322   3HB   ALA  46          3HB       ALA  46  -3.603  -4.916  -4.916
  323    H    ASP  47           HN       ASP  47  -5.368  -0.812  -0.812
  324    HA   ASP  47           HA       ASP  47  -7.927  -0.946  -0.946
  325   1HB   ASP  47          2HB       ASP  47  -7.965  -0.076  -0.076
  326   2HB   ASP  47          3HB       ASP  47  -6.852   1.193   1.193
  327    H    TYR  48           HN       TYR  48  -7.302  -0.342  -0.342
  328    HA   TYR  48           HA       TYR  48  -5.048   1.501   1.501
  329   1HB   TYR  48          2HB       TYR  48  -3.780  -0.203  -0.203
  330   2HB   TYR  48          3HB       TYR  48  -3.860  -0.518  -0.518
  331    HD1  TYR  48           HD1      TYR  48  -4.914  -1.789  -1.789
  332    HD2  TYR  48           HD2      TYR  48  -4.845  -2.449  -2.449
  333    HE1  TYR  48           HE1      TYR  48  -6.283  -3.826  -3.826
  334    HE2  TYR  48           HE2      TYR  48  -6.202  -4.528  -4.528
  335    HH   TYR  48           HH       TYR  48  -6.993  -6.031  -6.031
  336    H    TYR  49           HN       TYR  49  -4.696   1.727   1.727
  337    HA   TYR  49           HA       TYR  49  -7.218   1.426   1.426
  338   1HB   TYR  49          2HB       TYR  49  -4.493   2.558   2.558
  339   2HB   TYR  49          3HB       TYR  49  -5.730   2.289   2.289
  340    HD1  TYR  49           HD1      TYR  49  -8.162   3.243   3.243
  341    HD2  TYR  49           HD2      TYR  49  -4.327   4.827   4.827
  342    HE1  TYR  49           HE1      TYR  49  -9.081   5.527   5.527
  343    HE2  TYR  49           HE2      TYR  49  -5.298   7.095   7.095
  344    HH   TYR  49           HH       TYR  49  -7.178   8.380   8.380
  345    H    SER  50           HN       SER  50  -7.668  -0.333  -0.333
  346    HA   SER  50           HA       SER  50  -5.886  -2.623  -2.623
  347   1HB   SER  50          2HB       SER  50  -8.034  -3.540  -3.540
  348   2HB   SER  50          3HB       SER  50  -8.132  -3.075  -3.075
  349    HG   SER  50           HG       SER  50  -9.670  -1.761  -1.761
  350    H    SER  51           HN       SER  51  -6.114  -0.009  -0.009
  351    HA   SER  51           HA       SER  51  -5.033  -1.683  -1.683
  352   1HB   SER  51          2HB       SER  51  -6.495  -0.268  -0.268
  353   2HB   SER  51          3HB       SER  51  -7.273  -1.576  -1.576
  354    HG   SER  51           HG       SER  51  -8.113  -0.129  -0.129
  355    H    TYR  52           HN       TYR  52  -3.536  -0.672  -0.672
  356    HA   TYR  52           HA       TYR  52  -2.070   1.438   1.438
  357   1HB   TYR  52          2HB       TYR  52  -1.049  -0.088  -0.088
  358   2HB   TYR  52          3HB       TYR  52  -2.116   0.503   0.503
  359    HD1  TYR  52           HD2      TYR  52   0.339   1.864   1.864
  360    HD2  TYR  52           HD1      TYR  52  -1.286   2.180   2.180
  361    HE1  TYR  52           HE2      TYR  52   2.075   3.518   3.518
  362    HE2  TYR  52           HE1      TYR  52   0.452   3.876   3.876
  363    HH   TYR  52           HH       TYR  52   2.496   4.808   4.808
  364    H    ARG  53           HN       ARG  53  -4.327   1.531   1.531
  365    HA   ARG  53           HA       ARG  53  -3.903   4.203   4.203
  366   1HB   ARG  53          2HB       ARG  53  -5.243   2.487   2.487
  367   2HB   ARG  53          3HB       ARG  53  -6.644   2.907   2.907
  368   1HG   ARG  53          2HG       ARG  53  -5.047   4.993   4.993
  369   2HG   ARG  53          3HG       ARG  53  -6.288   3.999   3.999
  370   1HD   ARG  53          2HD       ARG  53  -7.870   4.858   4.858
  371   2HD   ARG  53          3HD       ARG  53  -6.649   6.122   6.122
  372    HE   ARG  53           HE       ARG  53  -7.031   6.248   6.248
  373   1HH1  ARG  53          2HH2      ARG  53  -9.328   6.388   6.388
  374   2HH1  ARG  53          1HH2      ARG  53 -10.568   7.096   7.096
  375   1HH2  ARG  53          2HH1      ARG  53  -8.513   7.319   7.319
  376   2HH2  ARG  53          1HH1      ARG  53 -10.037   7.864   7.864
  377    H    ASP  54           HN       ASP  54  -6.347   2.873   2.873
  378    HA   ASP  54           HA       ASP  54  -7.450   5.326   5.326
  379   1HB   ASP  54          2HB       ASP  54  -7.121   2.651   2.651
  380   2HB   ASP  54          3HB       ASP  54  -7.437   4.055   4.055
  381    H    CYS  55           HN       CYS  55  -4.643   3.694   3.694
  382    HA   CYS  55           HA       CYS  55  -4.208   5.833   5.833
  383   1HB   CYS  55          2HB       CYS  55  -3.235   3.588   3.588
  384   2HB   CYS  55          3HB       CYS  55  -2.210   3.854   3.854
  385    H    PHE  56           HN       PHE  56  -2.677   5.161   5.161
  386    HA   PHE  56           HA       PHE  56  -0.943   7.333   7.333
  387   1HB   PHE  56          2HB       PHE  56  -1.238   5.347   5.347
  388   2HB   PHE  56          3HB       PHE  56  -2.709   6.082   6.082
  389    HD1  PHE  56          1HD       PHE  56   0.969   6.717   6.717
  390    HD2  PHE  56          2HD       PHE  56  -2.641   7.748   7.748
  391    HE1  PHE  56          1HE       PHE  56   2.293   8.067   8.067
  392    HE2  PHE  56          2HE       PHE  56  -1.303   9.065   9.065
  393    HZ   PHE  56           HZ       PHE  56   1.166   9.240   9.240
  394    H    ASN  57           HN       ASN  57  -4.483   7.297   7.297
  395    HA   ASN  57           HA       ASN  57  -4.051  10.070  10.070
  396   1HB   ASN  57          2HB       ASN  57  -6.063  10.139  10.139
  397   2HB   ASN  57          3HB       ASN  57  -5.595   8.459   8.459
  398   1HD2  ASN  57          2HD2      ASN  57  -8.267   7.099   7.099
  399   2HD2  ASN  57          1HD2      ASN  57  -6.595   6.857   6.857
  400    H    ALA  58           HN       ALA  58  -5.279   8.458   8.458
  401    HA   ALA  58           HA       ALA  58  -6.506  10.878  10.878
  402   1HB   ALA  58          2HB       ALA  58  -5.445   8.384   8.384
  403   2HB   ALA  58          3HB       ALA  58  -6.445   9.666   9.666
  404   3HB   ALA  58          1HB       ALA  58  -7.116   8.637   8.637
  405    H    CYS  59           HN       CYS  59  -3.260   9.442   9.442
  406    HA   CYS  59           HA       CYS  59  -2.370  11.220  11.220
  407   1HB   CYS  59          2HB       CYS  59  -1.045   8.938   8.938
  408   2HB   CYS  59          3HB       CYS  59  -0.235   9.918   9.918
  409    H    ILE  60           HN       ILE  60  -1.649  10.640  10.640
  410    HA   ILE  60           HA       ILE  60   0.681  12.469  12.469
  411    HB   ILE  60           HB       ILE  60  -0.004  10.414  10.414
  412   1HG1  ILE  60          2HG1      ILE  60   0.204   9.156   9.156
  413   2HG1  ILE  60          3HG1      ILE  60   1.677   8.987   8.987
  414   1HG2  ILE  60          3HG2      ILE  60   1.550  12.230  12.230
  415   2HG2  ILE  60          1HG2      ILE  60   2.601  11.841  11.841
  416   3HG2  ILE  60          2HG2      ILE  60   2.352  10.652  10.652
  417   1HD1  ILE  60          1HD1      ILE  60   1.399  10.841  10.841
  418   2HD1  ILE  60          2HD1      ILE  60   1.974   9.189   9.189
  419   3HD1  ILE  60          3HD1      ILE  60   2.896  10.402  10.402

  Start of MODEL    7
    1    H    TYR   1           HN       TYR   1  -4.886   3.724   3.724
    2    HA   TYR   1           HA       TYR   1  -5.453   5.741   5.741
    3   1HB   TYR   1          2HB       TYR   1  -4.036   7.265   7.265
    4   2HB   TYR   1          3HB       TYR   1  -2.810   6.107   6.107
    5    HD1  TYR   1           HD1      TYR   1  -4.453   9.285   9.285
    6    HD2  TYR   1           HD2      TYR   1  -1.199   6.623   6.623
    7    HE1  TYR   1           HE1      TYR   1  -3.511  10.973  10.973
    8    HE2  TYR   1           HE2      TYR   1  -0.128   8.457   8.457
    9    HH   TYR   1           HH       TYR   1  -0.235  10.668  10.668
   10    H    ASN   2           HN       ASN   2  -6.381   4.542   4.542
   11    HA   ASN   2           HA       ASN   2  -7.641   4.946   4.946
   12   1HB   ASN   2          2HB       ASN   2  -8.237   7.204   7.204
   13   2HB   ASN   2          3HB       ASN   2  -7.200   7.942   7.942
   14   1HD2  ASN   2          2HD2      ASN   2 -10.890   6.618   6.618
   15   2HD2  ASN   2          1HD2      ASN   2 -10.270   6.504   6.504
   16    H    ARG   3           HN       ARG   3  -4.867   7.195   7.195
   17    HA   ARG   3           HA       ARG   3  -4.638   7.374   7.374
   18   1HB   ARG   3          2HB       ARG   3  -3.658   8.727   8.727
   19   2HB   ARG   3          3HB       ARG   3  -2.182   7.948   7.948
   20   1HG   ARG   3          2HG       ARG   3  -2.572   8.882   8.882
   21   2HG   ARG   3          3HG       ARG   3  -4.210   9.407   9.407
   22   1HD   ARG   3          2HD       ARG   3  -3.300  10.920  10.920
   23   2HD   ARG   3          3HD       ARG   3  -1.670  10.594  10.594
   24    HE   ARG   3           HE       ARG   3  -2.867  11.190  11.190
   25   1HH1  ARG   3          2HH2      ARG   3  -3.766  12.790  12.790
   26   2HH1  ARG   3          1HH2      ARG   3  -3.719  14.391  14.391
   27   1HH2  ARG   3          2HH1      ARG   3  -2.747  13.368  13.368
   28   2HH2  ARG   3          1HH1      ARG   3  -2.856  14.708  14.708
   29    H    LEU   4           HN       LEU   4  -4.661   5.539   5.539
   30    HA   LEU   4           HA       LEU   4  -2.321   3.705   3.705
   31   1HB   LEU   4          2HB       LEU   4  -5.219   3.409   3.409
   32   2HB   LEU   4          3HB       LEU   4  -4.028   2.159   2.159
   33    HG   LEU   4           HG       LEU   4  -4.661   3.193   3.193
   34   1HD1  LEU   4          3HD1      LEU   4  -5.683   0.784   0.784
   35   2HD1  LEU   4          1HD1      LEU   4  -5.991   1.096   1.096
   36   3HD1  LEU   4          2HD1      LEU   4  -6.666   2.186   2.186
   37   1HD2  LEU   4          1HD2      LEU   4  -3.266   0.657   0.657
   38   2HD2  LEU   4          2HD2      LEU   4  -2.468   2.026   2.026
   39   3HD2  LEU   4          3HD2      LEU   4  -3.670   1.063   1.063
   40    H    CYS   5           HN       CYS   5  -2.457   6.365   6.365
   41    HA   CYS   5           HA       CYS   5  -1.649   5.099   5.099
   42   1HB   CYS   5          2HB       CYS   5  -3.378   7.124   7.124
   43   2HB   CYS   5          3HB       CYS   5  -1.932   8.068   8.068
   44    H    ILE   6           HN       ILE   6  -0.409   5.907   5.907
   45    HA   ILE   6           HA       ILE   6   2.018   7.304   7.304
   46    HB   ILE   6           HB       ILE   6   0.374   7.893   7.893
   47   1HG1  ILE   6          2HG1      ILE   6   0.305   9.001   9.001
   48   2HG1  ILE   6          3HG1      ILE   6  -1.003   8.602   8.602
   49   1HG2  ILE   6          2HG2      ILE   6   2.822   8.369   8.369
   50   2HG2  ILE   6          3HG2      ILE   6   2.745   9.360   9.360
   51   3HG2  ILE   6          1HG2      ILE   6   1.880   9.845   9.845
   52   1HD1  ILE   6          1HD1      ILE   6  -0.303  10.578  10.578
   53   2HD1  ILE   6          2HD1      ILE   6   0.804  11.032  11.032
   54   3HD1  ILE   6          3HD1      ILE   6  -0.942  10.957  10.957
   55    H    LYS   7           HN       LYS   7   3.743   5.946   5.946
   56    HA   LYS   7           HA       LYS   7   3.417   3.890   3.890
   57   1HB   LYS   7          2HB       LYS   7   4.367   3.382   3.382
   58   2HB   LYS   7          3HB       LYS   7   5.800   4.326   4.326
   59   1HG   LYS   7          2HG       LYS   7   4.972   2.070   2.070
   60   2HG   LYS   7          3HG       LYS   7   5.843   1.743   1.743
   61   1HD   LYS   7          2HD       LYS   7   7.626   3.452   3.452
   62   2HD   LYS   7          3HD       LYS   7   6.864   3.342   3.342
   63   1HE   LYS   7          2HE       LYS   7   7.157   0.828   0.828
   64   2HE   LYS   7          3HE       LYS   7   8.104   1.066   1.066
   65   1HZ   LYS   7          2HZ       LYS   7   8.795   2.341   2.341
   66   2HZ   LYS   7          3HZ       LYS   7   9.359   0.869   0.869
   67   3HZ   LYS   7          1HZ       LYS   7   9.780   2.155   2.155
   68    HA   PRO   8           HA       PRO   8   6.860   5.636   5.636
   69   1HB   PRO   8          2HB       PRO   8   7.602   8.259   8.259
   70   2HB   PRO   8          3HB       PRO   8   8.218   6.901   6.901
   71   1HG   PRO   8          2HG       PRO   8   6.105   8.911   8.911
   72   2HG   PRO   8          3HG       PRO   8   7.397   8.218   8.218
   73   1HD   PRO   8          2HD       PRO   8   4.708   7.316   7.316
   74   2HD   PRO   8          3HD       PRO   8   6.036   6.256   6.256
   75    H    ARG   9           HN       ARG   9   4.796   5.225   5.225
   76    HA   ARG   9           HA       ARG   9   4.118   7.236   7.236
   77   1HB   ARG   9          2HB       ARG   9   1.698   7.167   7.167
   78   2HB   ARG   9          3HB       ARG   9   2.699   8.071   8.071
   79   1HG   ARG   9          2HG       ARG   9   1.760   7.031   7.031
   80   2HG   ARG   9          3HG       ARG   9   2.609   5.548   5.548
   81   1HD   ARG   9          2HD       ARG   9  -0.106   6.325   6.325
   82   2HD   ARG   9          3HD       ARG   9   0.193   5.353   5.353
   83    HE   ARG   9           HE       ARG   9   1.506   4.277   4.277
   84   1HH1  ARG   9          2HH2      ARG   9  -1.608   4.464   4.464
   85   2HH1  ARG   9          1HH2      ARG   9  -2.299   3.112   3.112
   86   1HH2  ARG   9          2HH1      ARG   9   0.859   2.154   2.154
   87   2HH2  ARG   9          1HH1      ARG   9  -0.783   1.668   1.668
   88    H    ASP  10           HN       ASP  10   5.350   4.647   4.647
   89    HA   ASP  10           HA       ASP  10   5.447   2.801   2.801
   90   1HB   ASP  10          2HB       ASP  10   4.115   3.724   3.724
   91   2HB   ASP  10          3HB       ASP  10   2.615   3.188   3.188
   92    H    TRP  11           HN       TRP  11   5.734   1.585   1.585
   93    HA   TRP  11           HA       TRP  11   3.955  -0.478  -0.478
   94   1HB   TRP  11          2HB       TRP  11   2.791   1.094   1.094
   95   2HB   TRP  11          3HB       TRP  11   4.192   1.732   1.732
   96    HD1  TRP  11           HD1      TRP  11   5.529  -0.944  -0.944
   97    HE1  TRP  11           HE1      TRP  11   4.397  -2.397  -2.397
   98    HE3  TRP  11           HE3      TRP  11   0.941   0.870   0.870
   99    HZ2  TRP  11           HZ2      TRP  11   1.753  -2.688  -2.688
  100    HZ3  TRP  11           HZ3      TRP  11  -1.068  -0.358  -0.358
  101    HH2  TRP  11           HH2      TRP  11  -0.603  -1.856  -1.856
  102    H    ILE  12           HN       ILE  12   5.245  -2.147  -2.147
  103    HA   ILE  12           HA       ILE  12   8.083  -1.586  -1.586
  104    HB   ILE  12           HB       ILE  12   7.113  -3.488  -3.488
  105   1HG1  ILE  12          2HG1      ILE  12   8.319  -0.700  -0.700
  106   2HG1  ILE  12          3HG1      ILE  12   6.788  -1.252  -1.252
  107   1HG2  ILE  12          1HG2      ILE  12   9.204  -4.156  -4.156
  108   2HG2  ILE  12          2HG2      ILE  12   9.921  -2.593  -2.593
  109   3HG2  ILE  12          3HG2      ILE  12   9.504  -3.784  -3.784
  110   1HD1  ILE  12          3HD1      ILE  12   7.987  -2.709  -2.709
  111   2HD1  ILE  12          1HD1      ILE  12   9.536  -2.025  -2.025
  112   3HD1  ILE  12          2HD1      ILE  12   8.336  -0.985  -0.985
  113    H    ASP  13           HN       ASP  13   7.579  -1.966  -1.966
  114    HA   ASP  13           HA       ASP  13   6.072  -4.115  -4.115
  115   1HB   ASP  13          2HB       ASP  13   6.717  -2.946  -2.946
  116   2HB   ASP  13          3HB       ASP  13   6.197  -1.750  -1.750
  117    H    GLU  14           HN       GLU  14   8.135  -5.479  -5.479
  118    HA   GLU  14           HA       GLU  14  10.290  -6.019  -6.019
  119   1HB   GLU  14          2HB       GLU  14   9.653  -7.232  -7.232
  120   2HB   GLU  14          3HB       GLU  14  10.936  -7.787  -7.787
  121   1HG   GLU  14          2HG       GLU  14  11.384  -5.029  -5.029
  122   2HG   GLU  14          3HG       GLU  14  10.865  -5.355  -5.355
  123    H    CYS  15           HN       CYS  15   7.107  -7.253  -7.253
  124    HA   CYS  15           HA       CYS  15   7.813  -9.983  -9.983
  125   1HB   CYS  15          2HB       CYS  15   5.159  -8.611  -8.611
  126   2HB   CYS  15          3HB       CYS  15   5.327 -10.302 -10.302
  127    H    ASP  16           HN       ASP  16   6.550 -11.054 -11.054
  128    HA   ASP  16           HA       ASP  16   6.692  -9.347  -9.347
  129   1HB   ASP  16          2HB       ASP  16   8.694 -10.774 -10.774
  130   2HB   ASP  16          3HB       ASP  16   7.659 -12.207 -12.207
  131    H    SER  17           HN       SER  17   5.816 -10.882 -10.882
  132    HA   SER  17           HA       SER  17   2.994 -11.376 -11.376
  133   1HB   SER  17          2HB       SER  17   2.994 -12.278 -12.278
  134   2HB   SER  17          3HB       SER  17   4.188 -10.980 -10.980
  135    HG   SER  17           HG       SER  17   5.842 -12.459 -12.459
  136    H    ASN  18           HN       ASN  18   1.928 -13.386 -13.386
  137    HA   ASN  18           HA       ASN  18   1.508 -15.530 -15.530
  138   1HB   ASN  18          2HB       ASN  18   2.764 -17.112 -17.112
  139   2HB   ASN  18          3HB       ASN  18   3.984 -15.927 -15.927
  140   1HD2  ASN  18          2HD2      ASN  18   4.650 -18.689 -18.689
  141   2HD2  ASN  18          1HD2      ASN  18   3.035 -18.525 -18.525
  142    H    GLU  19           HN       GLU  19   4.177 -13.994 -13.994
  143    HA   GLU  19           HA       GLU  19   4.014 -15.339 -15.339
  144   1HB   GLU  19          2HB       GLU  19   5.744 -13.589 -13.589
  145   2HB   GLU  19          3HB       GLU  19   4.692 -12.403 -12.403
  146   1HG   GLU  19          2HG       GLU  19   6.503 -12.811 -12.811
  147   2HG   GLU  19          3HG       GLU  19   5.170 -13.689 -13.689
  148    H    GLY  20           HN       GLY  20   3.274 -14.218 -14.218
  149   1HA   GLY  20          1HA       GLY  20   0.448 -14.116 -14.116
  150   2HA   GLY  20          2HA       GLY  20   1.474 -13.772 -13.772
  151    H    GLY  21           HN       GLY  21   0.356 -12.263 -12.263
  152   1HA   GLY  21          1HA       GLY  21  -0.453  -9.794  -9.794
  153   2HA   GLY  21          2HA       GLY  21   0.991  -9.665  -9.665
  154    H    GLU  22           HN       GLU  22  -0.789  -8.182  -8.182
  155    HA   GLU  22           HA       GLU  22  -1.555  -9.548  -9.548
  156   1HB   GLU  22          2HB       GLU  22  -3.423  -7.860  -7.860
  157   2HB   GLU  22          3HB       GLU  22  -3.613  -7.985  -7.985
  158   1HG   GLU  22          2HG       GLU  22  -3.687 -10.484 -10.484
  159   2HG   GLU  22          3HG       GLU  22  -3.713 -10.291 -10.291
  160    H    ARG  23           HN       ARG  23  -1.884  -7.827  -7.827
  161    HA   ARG  23           HA       ARG  23   0.354  -6.028  -6.028
  162   1HB   ARG  23          2HB       ARG  23  -0.887  -7.282  -7.282
  163   2HB   ARG  23          3HB       ARG  23  -1.479  -5.628  -5.628
  164   1HG   ARG  23          2HG       ARG  23   0.842  -4.820  -4.820
  165   2HG   ARG  23          3HG       ARG  23   1.469  -6.436  -6.436
  166   1HD   ARG  23          2HD       ARG  23   1.676  -5.282  -5.282
  167   2HD   ARG  23          3HD       ARG  23   1.045  -6.930  -6.930
  168    HE   ARG  23           HE       ARG  23  -1.210  -5.211  -5.211
  169   1HH1  ARG  23          2HH2      ARG  23   1.425  -6.050  -6.050
  170   2HH1  ARG  23          1HH2      ARG  23   0.370  -6.231  -6.231
  171   1HH2  ARG  23          2HH1      ARG  23  -2.552  -5.410  -5.410
  172   2HH2  ARG  23          1HH1      ARG  23  -2.005  -6.012  -6.012
  173    H    ALA  24           HN       ALA  24   0.201  -3.673  -3.673
  174    HA   ALA  24           HA       ALA  24  -2.516  -2.464  -2.464
  175   1HB   ALA  24          1HB       ALA  24  -1.345  -2.519  -2.519
  176   2HB   ALA  24          2HB       ALA  24  -0.178  -1.386  -1.386
  177   3HB   ALA  24          3HB       ALA  24  -1.887  -0.939  -0.939
  178    H    TYR  25           HN       TYR  25  -2.330  -0.060  -0.060
  179    HA   TYR  25           HA       TYR  25  -0.030   0.560   0.560
  180   1HB   TYR  25          2HB       TYR  25  -3.022   1.065   1.065
  181   2HB   TYR  25          3HB       TYR  25  -1.826   1.910   1.910
  182    HD1  TYR  25           HD2      TYR  25   0.128   0.109   0.109
  183    HD2  TYR  25           HD1      TYR  25  -4.048  -0.723  -0.723
  184    HE1  TYR  25           HE2      TYR  25   0.251  -1.682  -1.682
  185    HE2  TYR  25           HE1      TYR  25  -3.956  -2.451  -2.451
  186    HH   TYR  25           HH       TYR  25  -1.028  -2.733  -2.733
  187    H    PHE  26           HN       PHE  26   0.983   2.357   2.357
  188    HA   PHE  26           HA       PHE  26  -0.311   4.255   4.255
  189   1HB   PHE  26          2HB       PHE  26   2.239   2.664   2.664
  190   2HB   PHE  26          3HB       PHE  26   2.061   4.289   4.289
  191    HD1  PHE  26          1HD       PHE  26  -0.380   1.343   1.343
  192    HD2  PHE  26          2HD       PHE  26   1.926   4.060   4.060
  193    HE1  PHE  26          1HE       PHE  26  -1.708   0.727   0.727
  194    HE2  PHE  26          2HE       PHE  26   0.767   3.246   3.246
  195    HZ   PHE  26           HZ       PHE  26  -1.057   1.567   1.567
  196    H    ARG  27           HN       ARG  27   1.409   6.249   6.249
  197    HA   ARG  27           HA       ARG  27   1.186   7.228   7.228
  198   1HB   ARG  27          2HB       ARG  27   1.556   9.397   9.397
  199   2HB   ARG  27          3HB       ARG  27   0.613   8.466   8.466
  200   1HG   ARG  27          2HG       ARG  27   2.775   7.907   7.907
  201   2HG   ARG  27          3HG       ARG  27   3.618   8.967   8.967
  202   1HD   ARG  27          2HD       ARG  27   1.466  10.532  10.532
  203   2HD   ARG  27          3HD       ARG  27   2.035   9.650   9.650
  204    HE   ARG  27           HE       ARG  27   4.169  10.611  10.611
  205   1HH1  ARG  27          2HH2      ARG  27   1.926  12.233  12.233
  206   2HH1  ARG  27          1HH2      ARG  27   3.213  13.233  13.233
  207   1HH2  ARG  27          2HH1      ARG  27   5.569  12.086  12.086
  208   2HH2  ARG  27          1HH1      ARG  27   5.305  13.326  13.326
  209    H    ASN  28           HN       ASN  28   2.877   8.972   8.972
  210    HA   ASN  28           HA       ASN  28   5.363   7.539   7.539
  211   1HB   ASN  28          2HB       ASN  28   6.042   9.377   9.377
  212   2HB   ASN  28          3HB       ASN  28   4.379   9.040   9.040
  213   1HD2  ASN  28          2HD2      ASN  28   5.015  12.774  12.774
  214   2HD2  ASN  28          1HD2      ASN  28   6.034  11.590  11.590
  215    H    GLY  29           HN       GLY  29   7.258   7.806   7.806
  216   1HA   GLY  29          1HA       GLY  29   7.824   9.874   9.874
  217   2HA   GLY  29          2HA       GLY  29   8.938   8.649   8.649
  218    H    LYS  30           HN       LYS  30   8.140   8.979   8.979
  219    HA   LYS  30           HA       LYS  30   9.206  11.696  11.696
  220   1HB   LYS  30          2HB       LYS  30  10.493   9.067   9.067
  221   2HB   LYS  30          3HB       LYS  30  10.891  10.671  10.671
  222   1HG   LYS  30          2HG       LYS  30  11.513  11.407  11.407
  223   2HG   LYS  30          3HG       LYS  30  11.235   9.761   9.761
  224   1HD   LYS  30          2HD       LYS  30  13.028   8.838   8.838
  225   2HD   LYS  30          3HD       LYS  30  13.015  10.120  10.120
  226   1HE   LYS  30          2HE       LYS  30  14.932  10.579  10.579
  227   2HE   LYS  30          3HE       LYS  30  13.834  11.720  11.720
  228   1HZ   LYS  30          2HZ       LYS  30  14.418   9.072   9.072
  229   2HZ   LYS  30          3HZ       LYS  30  15.380  10.387  10.387
  230   3HZ   LYS  30          1HZ       LYS  30  13.810  10.407  10.407
  231    H    GLY  31           HN       GLY  31   8.294   8.515   8.515
  232   1HA   GLY  31          1HA       GLY  31   6.421   9.899   9.899
  233   2HA   GLY  31          2HA       GLY  31   7.924   9.423   9.423
  234    H    GLY  32           HN       GLY  32   5.426   8.125   8.125
  235   1HA   GLY  32          1HA       GLY  32   3.910   6.889   6.889
  236   2HA   GLY  32          2HA       GLY  32   5.069   5.610   5.610
  237    H    CYS  33           HN       CYS  33   2.340   5.183   5.183
  238    HA   CYS  33           HA       CYS  33   2.330   5.854   5.854
  239   1HB   CYS  33          2HB       CYS  33   0.360   4.557   4.557
  240   2HB   CYS  33          3HB       CYS  33   0.518   3.884   3.884
  241    H    ASP  34           HN       ASP  34   2.950   4.334   4.334
  242    HA   ASP  34           HA       ASP  34   5.005   2.445   2.445
  243   1HB   ASP  34          2HB       ASP  34   4.775   4.058   4.058
  244   2HB   ASP  34          3HB       ASP  34   4.131   2.575   2.575
  245    H    SER  35           HN       SER  35   4.945   0.312   0.312
  246    HA   SER  35           HA       SER  35   2.326  -0.806  -0.806
  247   1HB   SER  35          2HB       SER  35   3.926  -2.206  -2.206
  248   2HB   SER  35          3HB       SER  35   2.245  -2.461  -2.461
  249    HG   SER  35           HG       SER  35   2.137  -0.063  -0.063
  250    H    PHE  36           HN       PHE  36   2.557  -2.415  -2.415
  251    HA   PHE  36           HA       PHE  36   5.086  -3.892  -3.892
  252   1HB   PHE  36          2HB       PHE  36   4.246  -3.377  -3.377
  253   2HB   PHE  36          3HB       PHE  36   5.630  -2.680  -2.680
  254    HD1  PHE  36          2HD       PHE  36   1.945  -2.151  -2.151
  255    HD2  PHE  36          1HD       PHE  36   5.766  -0.317  -0.317
  256    HE1  PHE  36          2HE       PHE  36   1.214  -0.094  -0.094
  257    HE2  PHE  36          1HE       PHE  36   5.008   1.721   1.721
  258    HZ   PHE  36           HZ       PHE  36   2.892   1.598   1.598
  259    H    TRP  37           HN       TRP  37   4.729  -5.526  -5.526
  260    HA   TRP  37           HA       TRP  37   1.981  -6.575  -6.575
  261   1HB   TRP  37          2HB       TRP  37   4.641  -7.879  -7.879
  262   2HB   TRP  37          3HB       TRP  37   3.072  -8.658  -8.658
  263    HD1  TRP  37           HD1      TRP  37   6.006  -7.274  -7.274
  264    HE1  TRP  37           HE1      TRP  37   5.731  -7.809  -7.809
  265    HE3  TRP  37           HE3      TRP  37   1.199  -8.973  -8.973
  266    HZ2  TRP  37           HZ2      TRP  37   3.614  -8.626  -8.626
  267    HZ3  TRP  37           HZ3      TRP  37   0.025  -9.357  -9.357
  268    HH2  TRP  37           HH2      TRP  37   1.257  -9.456  -9.456
  269    H    ILE  38           HN       ILE  38   1.135  -6.217  -6.217
  270    HA   ILE  38           HA       ILE  38   2.676  -4.663  -4.663
  271    HB   ILE  38           HB       ILE  38   0.307  -6.348  -6.348
  272   1HG1  ILE  38          2HG1      ILE  38   0.178  -4.001  -4.001
  273   2HG1  ILE  38          3HG1      ILE  38  -0.553  -5.539  -5.539
  274   1HG2  ILE  38          3HG2      ILE  38   1.598  -4.971  -4.971
  275   2HG2  ILE  38          1HG2      ILE  38   1.201  -3.520  -3.520
  276   3HG2  ILE  38          2HG2      ILE  38  -0.069  -4.495  -4.495
  277   1HD1  ILE  38          3HD1      ILE  38  -1.340  -3.497  -3.497
  278   2HD1  ILE  38          1HD1      ILE  38  -2.116  -3.762  -3.762
  279   3HD1  ILE  38          2HD1      ILE  38  -2.078  -5.095  -5.095
  280    H    CYS  39           HN       CYS  39   3.466  -5.746  -5.746
  281    HA   CYS  39           HA       CYS  39   3.893  -8.669  -8.669
  282   1HB   CYS  39          2HB       CYS  39   5.167  -6.580  -6.580
  283   2HB   CYS  39          3HB       CYS  39   4.966  -8.178  -8.178
  284    HA   PRO  40           HA       PRO  40   0.459  -9.728  -9.728
  285   1HB   PRO  40          2HB       PRO  40   1.463 -11.779 -11.779
  286   2HB   PRO  40          3HB       PRO  40   0.915 -11.963 -11.963
  287   1HG   PRO  40          2HG       PRO  40   3.689 -11.804 -11.804
  288   2HG   PRO  40          3HG       PRO  40   3.077 -12.688 -12.688
  289   1HD   PRO  40          2HD       PRO  40   4.430 -10.281 -10.281
  290   2HD   PRO  40          3HD       PRO  40   3.348 -10.815 -10.815
  291    H    GLU  41           HN       GLU  41   3.531  -8.968  -8.968
  292    HA   GLU  41           HA       GLU  41   2.722  -8.555  -8.555
  293   1HB   GLU  41          2HB       GLU  41   4.995  -8.392  -8.392
  294   2HB   GLU  41          3HB       GLU  41   4.607  -6.729  -6.729
  295   1HG   GLU  41          2HG       GLU  41   4.675  -6.011  -6.011
  296   2HG   GLU  41          3HG       GLU  41   4.257  -7.614  -7.614
  297    H    ASP  42           HN       ASP  42   2.155  -6.361  -6.361
  298    HA   ASP  42           HA       ASP  42   0.697  -4.506  -4.506
  299   1HB   ASP  42          2HB       ASP  42   3.126  -3.948  -3.948
  300   2HB   ASP  42          3HB       ASP  42   2.591  -3.645  -3.645
  301    H    HIS  43           HN       HIS  43  -1.206  -5.733  -5.733
  302    HA   HIS  43           HA       HIS  43  -1.750  -5.232  -5.232
  303   1HB   HIS  43          2HB       HIS  43  -3.438  -5.909  -5.909
  304   2HB   HIS  43          3HB       HIS  43  -4.187  -5.472  -5.472
  305    HD1  HIS  43           HD1      HIS  43  -4.905  -7.584  -7.584
  306    HD2  HIS  43           HD2      HIS  43  -1.125  -7.826  -7.826
  307    HE1  HIS  43           HE1      HIS  43  -3.977  -9.899  -9.899
  308    H    THR  44           HN       THR  44  -2.308  -3.372  -3.372
  309    HA   THR  44           HA       THR  44  -3.133  -1.339  -1.339
  310    HB   THR  44           HB       THR  44  -1.024  -0.779  -0.779
  311    HG1  THR  44          1HG       THR  44  -2.306   0.807   0.807
  312   1HG2  THR  44          3HG2      THR  44  -2.541  -0.607  -0.607
  313   2HG2  THR  44          1HG2      THR  44  -1.070   0.333   0.333
  314   3HG2  THR  44          2HG2      THR  44  -1.010  -1.421  -1.421
  315    H    GLY  45           HN       GLY  45  -4.955  -3.198  -3.198
  316   1HA   GLY  45          1HA       GLY  45  -7.189  -3.152  -3.152
  317   2HA   GLY  45          2HA       GLY  45  -7.115  -1.421  -1.421
  318    H    ALA  46           HN       ALA  46  -4.614  -2.185  -2.185
  319    HA   ALA  46           HA       ALA  46  -4.400  -1.781  -1.781
  320   1HB   ALA  46          3HB       ALA  46  -3.721  -4.072  -4.072
  321   2HB   ALA  46          1HB       ALA  46  -5.304  -4.684  -4.684
  322   3HB   ALA  46          2HB       ALA  46  -4.231  -3.948  -3.948
  323    H    ASP  47           HN       ASP  47  -6.923  -0.741  -0.741
  324    HA   ASP  47           HA       ASP  47  -8.729  -1.651  -1.651
  325   1HB   ASP  47          2HB       ASP  47  -9.519  -0.992  -0.992
  326   2HB   ASP  47          3HB       ASP  47  -9.046   0.664   0.664
  327    H    TYR  48           HN       TYR  48  -6.677  -1.205  -1.205
  328    HA   TYR  48           HA       TYR  48  -5.961   1.580   1.580
  329   1HB   TYR  48          2HB       TYR  48  -4.221   0.377   0.377
  330   2HB   TYR  48          3HB       TYR  48  -4.174   0.126   0.126
  331    HD1  TYR  48           HD2      TYR  48  -6.306  -1.603  -1.603
  332    HD2  TYR  48           HD1      TYR  48  -3.195  -1.960  -1.960
  333    HE1  TYR  48           HE2      TYR  48  -6.646  -4.043  -4.043
  334    HE2  TYR  48           HE1      TYR  48  -3.266  -4.442  -4.442
  335    HH   TYR  48           HH       TYR  48  -4.554  -6.192  -6.192
  336    H    TYR  49           HN       TYR  49  -5.367   1.911   1.911
  337    HA   TYR  49           HA       TYR  49  -7.768   1.755   1.755
  338   1HB   TYR  49          2HB       TYR  49  -4.939   2.519   2.519
  339   2HB   TYR  49          3HB       TYR  49  -6.435   2.947   2.947
  340    HD1  TYR  49           HD1      TYR  49  -7.959   4.709   4.709
  341    HD2  TYR  49           HD2      TYR  49  -4.145   3.633   3.633
  342    HE1  TYR  49           HE1      TYR  49  -8.119   6.608   6.608
  343    HE2  TYR  49           HE2      TYR  49  -4.510   5.286   5.286
  344    HH   TYR  49           HH       TYR  49  -7.235   7.547   7.547
  345    H    SER  50           HN       SER  50  -8.213  -0.373  -0.373
  346    HA   SER  50           HA       SER  50  -6.004  -2.309  -2.309
  347   1HB   SER  50          2HB       SER  50  -7.926  -3.891  -3.891
  348   2HB   SER  50          3HB       SER  50  -7.943  -3.081  -3.081
  349    HG   SER  50           HG       SER  50  -9.483  -1.656  -1.656
  350    H    SER  51           HN       SER  51  -6.940   0.006   0.006
  351    HA   SER  51           HA       SER  51  -6.211  -1.616  -1.616
  352   1HB   SER  51          2HB       SER  51  -8.042  -0.325  -0.325
  353   2HB   SER  51          3HB       SER  51  -8.488  -1.696  -1.696
  354    HG   SER  51           HG       SER  51  -8.812   1.069   1.069
  355    H    TYR  52           HN       TYR  52  -4.970  -0.579  -0.579
  356    HA   TYR  52           HA       TYR  52  -3.251   1.260   1.260
  357   1HB   TYR  52          2HB       TYR  52  -2.622  -0.313  -0.313
  358   2HB   TYR  52          3HB       TYR  52  -3.498   0.714   0.714
  359    HD1  TYR  52           HD2      TYR  52  -0.911   1.021   1.021
  360    HD2  TYR  52           HD1      TYR  52  -2.093   2.204   2.204
  361    HE1  TYR  52           HE2      TYR  52   1.042   2.512   2.512
  362    HE2  TYR  52           HE1      TYR  52  -0.159   3.755   3.755
  363    HH   TYR  52           HH       TYR  52   1.814   4.457   4.457
  364    H    ARG  53           HN       ARG  53  -5.641   1.863   1.863
  365    HA   ARG  53           HA       ARG  53  -5.119   4.540   4.540
  366   1HB   ARG  53          2HB       ARG  53  -7.164   4.733   4.733
  367   2HB   ARG  53          3HB       ARG  53  -6.684   3.051   3.051
  368   1HG   ARG  53          2HG       ARG  53  -8.871   2.750   2.750
  369   2HG   ARG  53          3HG       ARG  53  -8.191   2.721   2.721
  370   1HD   ARG  53          2HD       ARG  53  -8.716   5.322   5.322
  371   2HD   ARG  53          3HD       ARG  53  -9.632   4.978   4.978
  372    HE   ARG  53           HE       ARG  53 -10.517   3.231   3.231
  373   1HH1  ARG  53          2HH2      ARG  53 -10.533   6.713   6.713
  374   2HH1  ARG  53          1HH2      ARG  53 -12.069   6.967   6.967
  375   1HH2  ARG  53          2HH1      ARG  53 -12.448   3.600   3.600
  376   2HH2  ARG  53          1HH1      ARG  53 -13.315   5.113   5.113
  377    H    ASP  54           HN       ASP  54  -6.888   3.133   3.133
  378    HA   ASP  54           HA       ASP  54  -8.082   5.638   5.638
  379   1HB   ASP  54          2HB       ASP  54  -7.619   2.986   2.986
  380   2HB   ASP  54          3HB       ASP  54  -8.157   4.424   4.424
  381    H    CYS  55           HN       CYS  55  -5.183   3.796   3.796
  382    HA   CYS  55           HA       CYS  55  -4.369   5.828   5.828
  383   1HB   CYS  55          2HB       CYS  55  -3.340   3.642   3.642
  384   2HB   CYS  55          3HB       CYS  55  -2.707   3.865   3.865
  385    H    PHE  56           HN       PHE  56  -3.522   5.209   5.209
  386    HA   PHE  56           HA       PHE  56  -1.644   7.211   7.211
  387   1HB   PHE  56          2HB       PHE  56  -2.275   5.381   5.381
  388   2HB   PHE  56          3HB       PHE  56  -3.709   6.300   6.300
  389    HD1  PHE  56          1HD       PHE  56   0.031   6.469   6.469
  390    HD2  PHE  56          2HD       PHE  56  -3.554   8.107   8.107
  391    HE1  PHE  56          1HE       PHE  56   1.402   7.663   7.663
  392    HE2  PHE  56          2HE       PHE  56  -2.184   9.220   9.220
  393    HZ   PHE  56           HZ       PHE  56   0.299   9.040   9.040
  394    H    ASN  57           HN       ASN  57  -5.209   7.493   7.493
  395    HA   ASN  57           HA       ASN  57  -4.759  10.321  10.321
  396   1HB   ASN  57          2HB       ASN  57  -7.280   8.660   8.660
  397   2HB   ASN  57          3HB       ASN  57  -7.206  10.362  10.362
  398   1HD2  ASN  57          2HD2      ASN  57  -6.154   7.477   7.477
  399   2HD2  ASN  57          1HD2      ASN  57  -6.559   7.073   7.073
  400    H    ALA  58           HN       ALA  58  -5.515   8.529   8.529
  401    HA   ALA  58           HA       ALA  58  -6.716  10.834  10.834
  402   1HB   ALA  58          2HB       ALA  58  -5.600   8.218   8.218
  403   2HB   ALA  58          3HB       ALA  58  -6.516   9.429   9.429
  404   3HB   ALA  58          1HB       ALA  58  -7.304   8.545   8.545
  405    H    CYS  59           HN       CYS  59  -3.482   9.499   9.499
  406    HA   CYS  59           HA       CYS  59  -2.427  11.332  11.332
  407   1HB   CYS  59          2HB       CYS  59  -1.485   8.559   8.559
  408   2HB   CYS  59          3HB       CYS  59  -0.913   9.611   9.611
  409    H    ILE  60           HN       ILE  60  -2.135  10.636  10.636
  410    HA   ILE  60           HA       ILE  60   0.524  11.989  11.989
  411    HB   ILE  60           HB       ILE  60  -0.706  10.268  10.268
  412   1HG1  ILE  60          2HG1      ILE  60  -0.310   8.778   8.778
  413   2HG1  ILE  60          3HG1      ILE  60   0.830   8.485   8.485
  414   1HG2  ILE  60          2HG2      ILE  60   2.062  11.470  11.470
  415   2HG2  ILE  60          3HG2      ILE  60   1.669  10.210  10.210
  416   3HG2  ILE  60          1HG2      ILE  60   0.885  11.789  11.789
  417   1HD1  ILE  60          3HD1      ILE  60   2.516   9.867   9.867
  418   2HD1  ILE  60          1HD1      ILE  60   1.395   9.932   9.932
  419   3HD1  ILE  60          2HD1      ILE  60   2.020   8.371   8.371

  Start of MODEL    8
    1    H    TYR   1           HN       TYR   1 -12.598  11.323  11.323
    2    HA   TYR   1           HA       TYR   1 -10.952   9.834   9.834
    3   1HB   TYR   1          2HB       TYR   1 -10.324  12.142  12.142
    4   2HB   TYR   1          3HB       TYR   1  -9.793  12.271  12.271
    5    HD1  TYR   1           HD1      TYR   1  -8.978  10.341  10.341
    6    HD2  TYR   1           HD2      TYR   1  -7.554  12.049  12.049
    7    HE1  TYR   1           HE1      TYR   1  -6.632   9.997   9.997
    8    HE2  TYR   1           HE2      TYR   1  -5.226  11.664  11.664
    9    HH   TYR   1           HH       TYR   1  -4.099  11.750  11.750
   10    H    ASN   2           HN       ASN   2  -9.687   8.056   8.056
   11    HA   ASN   2           HA       ASN   2  -9.244   7.478   7.478
   12   1HB   ASN   2          2HB       ASN   2  -8.986   5.907   5.907
   13   2HB   ASN   2          3HB       ASN   2  -8.298   5.365   5.365
   14   1HD2  ASN   2          2HD2      ASN   2 -11.258   3.489   3.489
   15   2HD2  ASN   2          1HD2      ASN   2  -9.619   3.425   3.425
   16    H    ARG   3           HN       ARG   3  -7.240   7.819   7.819
   17    HA   ARG   3           HA       ARG   3  -4.968   8.654   8.654
   18   1HB   ARG   3          2HB       ARG   3  -5.496   9.441   9.441
   19   2HB   ARG   3          3HB       ARG   3  -4.971   7.847   7.847
   20   1HG   ARG   3          2HG       ARG   3  -2.757   8.283   8.283
   21   2HG   ARG   3          3HG       ARG   3  -3.349   9.855   9.855
   22   1HD   ARG   3          2HD       ARG   3  -1.896  10.039  10.039
   23   2HD   ARG   3          3HD       ARG   3  -3.512  10.652  10.652
   24    HE   ARG   3           HE       ARG   3  -3.855   8.233   8.233
   25   1HH1  ARG   3          2HH2      ARG   3  -1.476  10.752  10.752
   26   2HH1  ARG   3          1HH2      ARG   3  -0.809   9.969   9.969
   27   1HH2  ARG   3          2HH1      ARG   3  -2.795   7.091   7.091
   28   2HH2  ARG   3          1HH1      ARG   3  -1.652   8.023   8.023
   29    H    LEU   4           HN       LEU   4  -5.126   6.765   6.765
   30    HA   LEU   4           HA       LEU   4  -3.624   4.374   4.374
   31   1HB   LEU   4          2HB       LEU   4  -5.540   4.748   4.748
   32   2HB   LEU   4          3HB       LEU   4  -4.531   3.311   3.311
   33    HG   LEU   4           HG       LEU   4  -6.397   4.281   4.281
   34   1HD1  LEU   4          1HD1      LEU   4  -7.017   2.855   2.855
   35   2HD1  LEU   4          2HD1      LEU   4  -7.887   2.344   2.344
   36   3HD1  LEU   4          3HD1      LEU   4  -7.963   3.993   3.993
   37   1HD2  LEU   4          3HD2      LEU   4  -5.160   1.547   1.547
   38   2HD2  LEU   4          1HD2      LEU   4  -4.798   2.592   2.592
   39   3HD2  LEU   4          2HD2      LEU   4  -6.390   1.839   1.839
   40    H    CYS   5           HN       CYS   5  -4.154   6.231   6.231
   41    HA   CYS   5           HA       CYS   5  -2.196   5.175   5.175
   42   1HB   CYS   5          2HB       CYS   5  -3.634   6.801   6.801
   43   2HB   CYS   5          3HB       CYS   5  -3.187   8.034   8.034
   44    H    ILE   6           HN       ILE   6  -1.836   7.964   7.964
   45    HA   ILE   6           HA       ILE   6   1.040   8.161   8.161
   46    HB   ILE   6           HB       ILE   6  -0.727   9.879   9.879
   47   1HG1  ILE   6          2HG1      ILE   6   0.044  10.237  10.237
   48   2HG1  ILE   6          3HG1      ILE   6  -1.532   9.645   9.645
   49   1HG2  ILE   6          3HG2      ILE   6   1.762  10.002  10.002
   50   2HG2  ILE   6          1HG2      ILE   6   1.956  10.391  10.391
   51   3HG2  ILE   6          2HG2      ILE   6   1.082  11.501  11.501
   52   1HD1  ILE   6          1HD1      ILE   6  -2.015  11.566  11.566
   53   2HD1  ILE   6          2HD1      ILE   6  -0.497  12.314  12.314
   54   3HD1  ILE   6          3HD1      ILE   6  -1.779  11.908  11.908
   55    H    LYS   7           HN       LYS   7   2.117   6.609   6.609
   56    HA   LYS   7           HA       LYS   7   1.518   4.909   4.909
   57   1HB   LYS   7          2HB       LYS   7   3.510   4.668   4.668
   58   2HB   LYS   7          3HB       LYS   7   4.220   6.102   6.102
   59   1HG   LYS   7          2HG       LYS   7   4.124   4.872   4.872
   60   2HG   LYS   7          3HG       LYS   7   3.724   3.401   3.401
   61   1HD   LYS   7          2HD       LYS   7   6.118   4.963   4.963
   62   2HD   LYS   7          3HD       LYS   7   6.200   4.337   4.337
   63   1HE   LYS   7          2HE       LYS   7   5.652   2.036   2.036
   64   2HE   LYS   7          3HE       LYS   7   5.901   2.711   2.711
   65   1HZ   LYS   7          3HZ       LYS   7   8.136   3.426   3.426
   66   2HZ   LYS   7          1HZ       LYS   7   7.839   2.274   2.274
   67   3HZ   LYS   7          2HZ       LYS   7   7.970   1.884   1.884
   68    HA   PRO   8           HA       PRO   8   1.724   7.789   7.789
   69   1HB   PRO   8          2HB       PRO   8  -0.756   7.628   7.628
   70   2HB   PRO   8          3HB       PRO   8  -0.503   8.153   8.153
   71   1HG   PRO   8          2HG       PRO   8  -1.248   5.371   5.371
   72   2HG   PRO   8          3HG       PRO   8  -1.997   6.250   6.250
   73   1HD   PRO   8          2HD       PRO   8   0.108   4.403   4.403
   74   2HD   PRO   8          3HD       PRO   8  -0.372   5.597   5.597
   75    H    ARG   9           HN       ARG   9   3.056   5.591   5.591
   76    HA   ARG   9           HA       ARG   9   2.774   4.269   4.269
   77   1HB   ARG   9          2HB       ARG   9   0.697   3.445   3.445
   78   2HB   ARG   9          3HB       ARG   9   1.961   2.305   2.305
   79   1HG   ARG   9          2HG       ARG   9   0.523   2.740   2.740
   80   2HG   ARG   9          3HG       ARG   9   0.668   1.277   1.277
   81   1HD   ARG   9          2HD       ARG   9   3.094   1.136   1.136
   82   2HD   ARG   9          3HD       ARG   9   2.969   2.502   2.502
   83    HE   ARG   9           HE       ARG   9   2.333  -0.203  -0.203
   84   1HH1  ARG   9          2HH2      ARG   9   1.076   3.086   3.086
   85   2HH1  ARG   9          1HH2      ARG   9   0.159   2.519   2.519
   86   1HH2  ARG   9          2HH1      ARG   9   1.828  -0.612  -0.612
   87   2HH2  ARG   9          1HH1      ARG   9   0.897   0.495   0.495
   88    H    ASP  10           HN       ASP  10   4.934   4.189   4.189
   89    HA   ASP  10           HA       ASP  10   6.685   4.368   4.368
   90   1HB   ASP  10          2HB       ASP  10   7.105   4.202   4.202
   91   2HB   ASP  10          3HB       ASP  10   7.349   2.475   2.475
   92    H    TRP  11           HN       TRP  11   5.498   1.259   1.259
   93    HA   TRP  11           HA       TRP  11   5.313  -0.785  -0.785
   94   1HB   TRP  11          2HB       TRP  11   3.537   0.525   0.525
   95   2HB   TRP  11          3HB       TRP  11   4.392   1.204   1.204
   96    HD1  TRP  11           HD1      TRP  11   5.374  -1.650  -1.650
   97    HE1  TRP  11           HE1      TRP  11   3.745  -2.550  -2.550
   98    HE3  TRP  11           HE3      TRP  11   1.162   0.445   0.445
   99    HZ2  TRP  11           HZ2      TRP  11   1.016  -1.952  -1.952
  100    HZ3  TRP  11           HZ3      TRP  11  -1.076  -0.120  -0.120
  101    HH2  TRP  11           HH2      TRP  11  -1.098  -1.042  -1.042
  102    H    ILE  12           HN       ILE  12   6.986  -1.955  -1.955
  103    HA   ILE  12           HA       ILE  12   9.174  -1.556  -1.556
  104    HB   ILE  12           HB       ILE  12   8.773  -3.525  -3.525
  105   1HG1  ILE  12          2HG1      ILE  12  10.524  -1.022  -1.022
  106   2HG1  ILE  12          3HG1      ILE  12   8.960  -1.068  -1.068
  107   1HG2  ILE  12          2HG2      ILE  12  10.395  -4.092  -4.092
  108   2HG2  ILE  12          3HG2      ILE  12  11.390  -2.780  -2.780
  109   3HG2  ILE  12          1HG2      ILE  12  11.038  -4.190  -4.190
  110   1HD1  ILE  12          2HD1      ILE  12  11.281  -2.871  -2.871
  111   2HD1  ILE  12          3HD1      ILE  12  10.813  -1.378  -1.378
  112   3HD1  ILE  12          1HD1      ILE  12   9.705  -2.771  -2.771
  113    H    ASP  13           HN       ASP  13   7.605  -1.892  -1.892
  114    HA   ASP  13           HA       ASP  13   6.782  -4.528  -4.528
  115   1HB   ASP  13          2HB       ASP  13   6.958  -1.934  -1.934
  116   2HB   ASP  13          3HB       ASP  13   7.852  -3.035  -3.035
  117    H    GLU  14           HN       GLU  14   8.387  -6.073  -6.073
  118    HA   GLU  14           HA       GLU  14  10.759  -6.122  -6.122
  119   1HB   GLU  14          2HB       GLU  14  10.264  -7.932  -7.932
  120   2HB   GLU  14          3HB       GLU  14  11.652  -7.864  -7.864
  121   1HG   GLU  14          2HG       GLU  14  11.610  -5.257  -5.257
  122   2HG   GLU  14          3HG       GLU  14  10.952  -6.134  -6.134
  123    H    CYS  15           HN       CYS  15   7.782  -7.655  -7.655
  124    HA   CYS  15           HA       CYS  15   7.873 -10.097 -10.097
  125   1HB   CYS  15          2HB       CYS  15   5.566  -8.289  -8.289
  126   2HB   CYS  15          3HB       CYS  15   5.337  -9.851  -9.851
  127    H    ASP  16           HN       ASP  16   6.610 -10.624 -10.624
  128    HA   ASP  16           HA       ASP  16   5.873  -8.417  -8.417
  129   1HB   ASP  16          2HB       ASP  16   8.256  -9.209  -9.209
  130   2HB   ASP  16          3HB       ASP  16   7.458 -10.650 -10.650
  131    H    SER  17           HN       SER  17   5.263 -10.321 -10.321
  132    HA   SER  17           HA       SER  17   2.810 -11.550 -11.550
  133   1HB   SER  17          2HB       SER  17   3.172 -12.754 -12.754
  134   2HB   SER  17          3HB       SER  17   2.887 -11.023 -11.023
  135    HG   SER  17           HG       SER  17   5.242 -10.745 -10.745
  136    H    ASN  18           HN       ASN  18   2.377 -13.860 -13.860
  137    HA   ASN  18           HA       ASN  18   2.708 -16.064 -16.064
  138   1HB   ASN  18          2HB       ASN  18   4.878 -16.098 -16.098
  139   2HB   ASN  18          3HB       ASN  18   5.707 -15.657 -15.657
  140   1HD2  ASN  18          2HD2      ASN  18   3.983 -19.392 -19.392
  141   2HD2  ASN  18          1HD2      ASN  18   3.165 -18.098 -18.098
  142    H    GLU  19           HN       GLU  19   4.490 -13.943 -13.943
  143    HA   GLU  19           HA       GLU  19   3.927 -15.442 -15.442
  144   1HB   GLU  19          2HB       GLU  19   5.664 -13.692 -13.692
  145   2HB   GLU  19          3HB       GLU  19   4.420 -12.449 -12.449
  146   1HG   GLU  19          2HG       GLU  19   4.792 -14.382 -14.382
  147   2HG   GLU  19          3HG       GLU  19   5.610 -12.827 -12.827
  148    H    GLY  20           HN       GLY  20   2.310 -14.576 -14.576
  149   1HA   GLY  20          1HA       GLY  20  -0.282 -14.963 -14.963
  150   2HA   GLY  20          2HA       GLY  20   0.122 -15.016 -15.016
  151    H    GLY  21           HN       GLY  21   1.393 -12.038 -12.038
  152   1HA   GLY  21          1HA       GLY  21  -0.695 -10.518 -10.518
  153   2HA   GLY  21          2HA       GLY  21   0.677  -9.926  -9.926
  154    H    GLU  22           HN       GLU  22  -0.917  -8.365  -8.365
  155    HA   GLU  22           HA       GLU  22  -2.139  -9.245  -9.245
  156   1HB   GLU  22          2HB       GLU  22  -4.028  -9.504  -9.504
  157   2HB   GLU  22          3HB       GLU  22  -3.904  -7.777  -7.777
  158   1HG   GLU  22          2HG       GLU  22  -4.563  -7.110  -7.110
  159   2HG   GLU  22          3HG       GLU  22  -4.160  -8.705  -8.705
  160    H    ARG  23           HN       ARG  23  -2.721  -7.381  -7.381
  161    HA   ARG  23           HA       ARG  23  -0.386  -5.668  -5.668
  162   1HB   ARG  23          2HB       ARG  23  -2.199  -6.673  -6.673
  163   2HB   ARG  23          3HB       ARG  23  -1.857  -4.948  -4.948
  164   1HG   ARG  23          2HG       ARG  23   0.657  -5.590  -5.590
  165   2HG   ARG  23          3HG       ARG  23   0.070  -7.184  -7.184
  166   1HD   ARG  23          2HD       ARG  23  -0.133  -4.824  -4.824
  167   2HD   ARG  23          3HD       ARG  23   1.066  -6.116  -6.116
  168    HE   ARG  23           HE       ARG  23  -1.700  -7.071  -7.071
  169   1HH1  ARG  23          2HH2      ARG  23   1.154  -6.246  -6.246
  170   2HH1  ARG  23          1HH2      ARG  23   0.359  -6.478  -6.478
  171   1HH2  ARG  23          2HH1      ARG  23  -2.698  -7.622  -7.622
  172   2HH2  ARG  23          1HH1      ARG  23  -1.792  -7.565  -7.565
  173    H    ALA  24           HN       ALA  24  -0.424  -3.514  -3.514
  174    HA   ALA  24           HA       ALA  24  -3.004  -2.013  -2.013
  175   1HB   ALA  24          3HB       ALA  24  -1.788  -2.070  -2.070
  176   2HB   ALA  24          1HB       ALA  24  -0.590  -1.044  -1.044
  177   3HB   ALA  24          2HB       ALA  24  -2.261  -0.496  -0.496
  178    H    TYR  25           HN       TYR  25  -2.759  -0.034  -0.034
  179    HA   TYR  25           HA       TYR  25  -0.053   0.268   0.268
  180   1HB   TYR  25          2HB       TYR  25  -2.853   0.971   0.971
  181   2HB   TYR  25          3HB       TYR  25  -1.446   1.805   1.805
  182    HD1  TYR  25           HD2      TYR  25   0.411   0.416   0.416
  183    HD2  TYR  25           HD1      TYR  25  -3.261  -1.374  -1.374
  184    HE1  TYR  25           HE2      TYR  25   0.914  -1.610  -1.610
  185    HE2  TYR  25           HE1      TYR  25  -2.844  -3.332  -3.332
  186    HH   TYR  25           HH       TYR  25  -1.673  -3.867  -3.867
  187    H    PHE  26           HN       PHE  26   1.049   1.843   1.843
  188    HA   PHE  26           HA       PHE  26  -0.320   4.164   4.164
  189   1HB   PHE  26          2HB       PHE  26   2.079   2.636   2.636
  190   2HB   PHE  26          3HB       PHE  26   1.701   4.258   4.258
  191    HD1  PHE  26          2HD       PHE  26  -1.520   2.718   2.718
  192    HD2  PHE  26          1HD       PHE  26   2.014   2.999   2.999
  193    HE1  PHE  26          2HE       PHE  26  -2.745   1.743   1.743
  194    HE2  PHE  26          1HE       PHE  26   0.707   2.243   2.243
  195    HZ   PHE  26           HZ       PHE  26  -1.661   1.559   1.559
  196    H    ARG  27           HN       ARG  27   1.062   6.138   6.138
  197    HA   ARG  27           HA       ARG  27   2.290   6.285   6.285
  198   1HB   ARG  27          2HB       ARG  27   1.013   8.131   8.131
  199   2HB   ARG  27          3HB       ARG  27   1.976   8.264   8.264
  200   1HG   ARG  27          2HG       ARG  27   3.553   8.505   8.505
  201   2HG   ARG  27          3HG       ARG  27   2.280   9.721   9.721
  202   1HD   ARG  27          2HD       ARG  27   3.156  10.473  10.473
  203   2HD   ARG  27          3HD       ARG  27   4.233   9.082   9.082
  204    HE   ARG  27           HE       ARG  27   5.737  10.000  10.000
  205   1HH1  ARG  27          2HH2      ARG  27   2.734  11.783  11.783
  206   2HH1  ARG  27          1HH2      ARG  27   3.338  12.904  12.904
  207   1HH2  ARG  27          2HH1      ARG  27   6.736  11.865  11.865
  208   2HH2  ARG  27          1HH1      ARG  27   5.703  13.037  13.037
  209    H    ASN  28           HN       ASN  28   4.339   5.983   5.983
  210    HA   ASN  28           HA       ASN  28   6.242   5.029   5.029
  211   1HB   ASN  28          2HB       ASN  28   7.736   4.668   4.668
  212   2HB   ASN  28          3HB       ASN  28   6.123   4.171   4.171
  213   1HD2  ASN  28          2HD2      ASN  28   7.020   5.849   5.849
  214   2HD2  ASN  28          1HD2      ASN  28   6.751   4.294   4.294
  215    H    GLY  29           HN       GLY  29   8.408   6.048   6.048
  216   1HA   GLY  29          1HA       GLY  29   8.067   8.757   8.757
  217   2HA   GLY  29          2HA       GLY  29   9.550   7.810   7.810
  218    H    LYS  30           HN       LYS  30   8.152   8.099   8.099
  219    HA   LYS  30           HA       LYS  30  10.143  10.222  10.222
  220   1HB   LYS  30          2HB       LYS  30   9.422   7.648   7.648
  221   2HB   LYS  30          3HB       LYS  30  10.352   8.984   8.984
  222   1HG   LYS  30          2HG       LYS  30  12.159   8.686   8.686
  223   2HG   LYS  30          3HG       LYS  30  11.182   7.723   7.723
  224   1HD   LYS  30          2HD       LYS  30  12.706   6.286   6.286
  225   2HD   LYS  30          3HD       LYS  30  11.034   5.881   5.881
  226   1HE   LYS  30          2HE       LYS  30  11.292   7.003   7.003
  227   2HE   LYS  30          3HE       LYS  30  12.917   7.559   7.559
  228   1HZ   LYS  30          3HZ       LYS  30  13.591   5.262   5.262
  229   2HZ   LYS  30          1HZ       LYS  30  12.086   4.746   4.746
  230   3HZ   LYS  30          2HZ       LYS  30  13.081   5.607   5.607
  231    H    GLY  31           HN       GLY  31   7.587   8.518   8.518
  232   1HA   GLY  31          1HA       GLY  31   5.690  10.629  10.629
  233   2HA   GLY  31          2HA       GLY  31   6.809  10.863  10.863
  234    H    GLY  32           HN       GLY  32   5.481   7.904   7.904
  235   1HA   GLY  32          1HA       GLY  32   3.611   7.383   7.383
  236   2HA   GLY  32          2HA       GLY  32   4.957   6.204   6.204
  237    H    CYS  33           HN       CYS  33   2.901   4.829   4.829
  238    HA   CYS  33           HA       CYS  33   2.723   4.837   4.837
  239   1HB   CYS  33          2HB       CYS  33   0.600   3.922   3.922
  240   2HB   CYS  33          3HB       CYS  33   0.692   3.433   3.433
  241    H    ASP  34           HN       ASP  34   3.161   2.937   2.937
  242    HA   ASP  34           HA       ASP  34   4.413   0.850   0.850
  243   1HB   ASP  34          2HB       ASP  34   6.103   1.951   1.951
  244   2HB   ASP  34          3HB       ASP  34   5.139   1.472   1.472
  245    H    SER  35           HN       SER  35   3.848  -1.263  -1.263
  246    HA   SER  35           HA       SER  35   1.444  -1.898  -1.898
  247   1HB   SER  35          2HB       SER  35   2.555  -4.278  -4.278
  248   2HB   SER  35          3HB       SER  35   1.747  -3.364  -3.364
  249    HG   SER  35           HG       SER  35   4.518  -3.311  -3.311
  250    H    PHE  36           HN       PHE  36   1.803  -1.499  -1.499
  251    HA   PHE  36           HA       PHE  36   4.167  -2.586  -2.586
  252   1HB   PHE  36          2HB       PHE  36   1.443  -1.517  -1.517
  253   2HB   PHE  36          3HB       PHE  36   2.666  -2.192  -2.192
  254    HD1  PHE  36          1HD       PHE  36   4.772  -0.420  -0.420
  255    HD2  PHE  36          2HD       PHE  36   1.717   0.358   0.358
  256    HE1  PHE  36          1HE       PHE  36   6.486  -0.087  -0.087
  257    HE2  PHE  36          2HE       PHE  36   3.426   0.952   0.952
  258    HZ   PHE  36           HZ       PHE  36   5.779   0.216   0.216
  259    H    TRP  37           HN       TRP  37   4.118  -4.595  -4.595
  260    HA   TRP  37           HA       TRP  37   1.606  -6.247  -6.247
  261   1HB   TRP  37          2HB       TRP  37   4.548  -7.015  -7.015
  262   2HB   TRP  37          3HB       TRP  37   3.199  -8.129  -8.129
  263    HD1  TRP  37           HD1      TRP  37   5.001  -5.994  -5.994
  264    HE1  TRP  37           HE1      TRP  37   4.345  -6.751  -6.751
  265    HE3  TRP  37           HE3      TRP  37   1.187  -9.150  -9.150
  266    HZ2  TRP  37           HZ2      TRP  37   2.268  -8.398  -8.398
  267    HZ3  TRP  37           HZ3      TRP  37  -0.263 -10.078 -10.078
  268    HH2  TRP  37           HH2      TRP  37   0.314  -9.802  -9.802
  269    H    ILE  38           HN       ILE  38   0.642  -5.945  -5.945
  270    HA   ILE  38           HA       ILE  38   2.214  -4.687  -4.687
  271    HB   ILE  38           HB       ILE  38  -0.351  -6.153  -6.153
  272   1HG1  ILE  38          2HG1      ILE  38  -0.118  -3.555  -3.555
  273   2HG1  ILE  38          3HG1      ILE  38  -1.080  -4.879  -4.879
  274   1HG2  ILE  38          3HG2      ILE  38   1.300  -5.078  -5.078
  275   2HG2  ILE  38          1HG2      ILE  38   0.884  -3.518  -3.518
  276   3HG2  ILE  38          2HG2      ILE  38  -0.352  -4.487  -4.487
  277   1HD1  ILE  38          1HD1      ILE  38  -1.517  -3.143  -3.143
  278   2HD1  ILE  38          2HD1      ILE  38  -2.414  -3.139  -3.139
  279   3HD1  ILE  38          3HD1      ILE  38  -2.486  -4.577  -4.577
  280    H    CYS  39           HN       CYS  39   3.970  -5.899  -5.899
  281    HA   CYS  39           HA       CYS  39   3.975  -8.627  -8.627
  282   1HB   CYS  39          2HB       CYS  39   5.859  -6.810  -6.810
  283   2HB   CYS  39          3HB       CYS  39   5.717  -6.945  -6.945
  284    HA   PRO  40           HA       PRO  40   1.100  -9.341  -9.341
  285   1HB   PRO  40          2HB       PRO  40   2.028 -11.472 -11.472
  286   2HB   PRO  40          3HB       PRO  40   1.451 -11.557 -11.557
  287   1HG   PRO  40          2HG       PRO  40   4.276 -11.418 -11.418
  288   2HG   PRO  40          3HG       PRO  40   3.646 -12.443 -12.443
  289   1HD   PRO  40          2HD       PRO  40   4.968 -10.080 -10.080
  290   2HD   PRO  40          3HD       PRO  40   3.657 -10.580 -10.580
  291    H    GLU  41           HN       GLU  41   4.062  -8.484  -8.484
  292    HA   GLU  41           HA       GLU  41   3.902  -8.456  -8.456
  293   1HB   GLU  41          2HB       GLU  41   5.145  -6.881  -6.881
  294   2HB   GLU  41          3HB       GLU  41   4.818  -5.899  -5.899
  295   1HG   GLU  41          2HG       GLU  41   6.253  -8.561  -8.561
  296   2HG   GLU  41          3HG       GLU  41   7.091  -7.028  -7.028
  297    H    ASP  42           HN       ASP  42   2.191  -6.216  -6.216
  298    HA   ASP  42           HA       ASP  42   0.141  -5.708  -5.708
  299   1HB   ASP  42          2HB       ASP  42   1.772  -3.554  -3.554
  300   2HB   ASP  42          3HB       ASP  42   0.192  -3.235  -3.235
  301    H    HIS  43           HN       HIS  43  -1.876  -5.282  -5.282
  302    HA   HIS  43           HA       HIS  43  -1.962  -5.182  -5.182
  303   1HB   HIS  43          2HB       HIS  43  -3.893  -6.182  -6.182
  304   2HB   HIS  43          3HB       HIS  43  -4.376  -5.794  -5.794
  305    HD1  HIS  43           HD1      HIS  43  -4.899  -8.680  -8.680
  306    HD2  HIS  43           HD2      HIS  43  -1.311  -7.279  -7.279
  307    HE1  HIS  43           HE1      HIS  43  -3.880 -10.629 -10.629
  308    H    THR  44           HN       THR  44  -2.677  -3.610  -3.610
  309    HA   THR  44           HA       THR  44  -3.323  -1.603  -1.603
  310    HB   THR  44           HB       THR  44  -1.094  -1.273  -1.273
  311    HG1  THR  44          1HG       THR  44  -1.891   0.316   0.316
  312   1HG2  THR  44          2HG2      THR  44  -1.656  -1.505  -1.505
  313   2HG2  THR  44          3HG2      THR  44  -2.547   0.031   0.031
  314   3HG2  THR  44          1HG2      THR  44  -0.806  -0.020  -0.020
  315    H    GLY  45           HN       GLY  45  -5.385  -2.882  -2.882
  316   1HA   GLY  45          1HA       GLY  45  -7.328  -2.908  -2.908
  317   2HA   GLY  45          2HA       GLY  45  -7.519  -1.335  -1.335
  318    H    ALA  46           HN       ALA  46  -5.211  -2.375  -2.375
  319    HA   ALA  46           HA       ALA  46  -5.646   0.021   0.021
  320   1HB   ALA  46          1HB       ALA  46  -3.402  -0.924  -0.924
  321   2HB   ALA  46          2HB       ALA  46  -3.886  -2.369  -2.369
  322   3HB   ALA  46          3HB       ALA  46  -3.844  -0.785  -0.785
  323    H    ASP  47           HN       ASP  47  -7.841  -0.504  -0.504
  324    HA   ASP  47           HA       ASP  47  -8.896  -2.344  -2.344
  325   1HB   ASP  47          2HB       ASP  47 -10.067  -1.173  -1.173
  326   2HB   ASP  47          3HB       ASP  47  -9.913   0.355   0.355
  327    H    TYR  48           HN       TYR  48  -6.828  -1.671  -1.671
  328    HA   TYR  48           HA       TYR  48  -6.474   0.941   0.941
  329   1HB   TYR  48          2HB       TYR  48  -4.684  -0.016  -0.016
  330   2HB   TYR  48          3HB       TYR  48  -4.543  -0.070  -0.070
  331    HD1  TYR  48           HD2      TYR  48  -6.260  -2.245  -2.245
  332    HD2  TYR  48           HD1      TYR  48  -3.708  -1.960  -1.960
  333    HE1  TYR  48           HE2      TYR  48  -6.676  -4.630  -4.630
  334    HE2  TYR  48           HE1      TYR  48  -4.063  -4.397  -4.397
  335    HH   TYR  48           HH       TYR  48  -6.205  -6.389  -6.389
  336    H    TYR  49           HN       TYR  49  -5.917   1.807   1.807
  337    HA   TYR  49           HA       TYR  49  -7.814   1.526   1.526
  338   1HB   TYR  49          2HB       TYR  49  -4.964   2.635   2.635
  339   2HB   TYR  49          3HB       TYR  49  -6.035   2.784   2.784
  340    HD1  TYR  49           HD1      TYR  49  -8.540   3.698   3.698
  341    HD2  TYR  49           HD2      TYR  49  -4.873   4.537   4.537
  342    HE1  TYR  49           HE1      TYR  49  -9.591   5.671   5.671
  343    HE2  TYR  49           HE2      TYR  49  -5.940   6.559   6.559
  344    HH   TYR  49           HH       TYR  49  -9.203   7.619   7.619
  345    H    SER  50           HN       SER  50  -8.027  -0.471  -0.471
  346    HA   SER  50           HA       SER  50  -5.953  -2.463  -2.463
  347   1HB   SER  50          2HB       SER  50  -7.786  -3.775  -3.775
  348   2HB   SER  50          3HB       SER  50  -8.112  -3.228  -3.228
  349    HG   SER  50           HG       SER  50  -9.667  -2.041  -2.041
  350    H    SER  51           HN       SER  51  -7.147  -0.305  -0.305
  351    HA   SER  51           HA       SER  51  -5.469  -1.652  -1.652
  352   1HB   SER  51          2HB       SER  51  -6.612   0.127   0.127
  353   2HB   SER  51          3HB       SER  51  -7.561  -1.242  -1.242
  354    HG   SER  51           HG       SER  51  -8.395   1.112   1.112
  355    H    TYR  52           HN       TYR  52  -3.753  -0.718  -0.718
  356    HA   TYR  52           HA       TYR  52  -2.177   1.352   1.352
  357   1HB   TYR  52          2HB       TYR  52  -1.479  -0.451  -0.451
  358   2HB   TYR  52          3HB       TYR  52  -2.346   0.457   0.457
  359    HD1  TYR  52           HD1      TYR  52  -1.636   2.967   2.967
  360    HD2  TYR  52           HD2      TYR  52   0.859  -0.178  -0.178
  361    HE1  TYR  52           HE1      TYR  52   0.357   4.372   4.372
  362    HE2  TYR  52           HE2      TYR  52   2.846   1.207   1.207
  363    HH   TYR  52           HH       TYR  52   3.606   3.300   3.300
  364    H    ARG  53           HN       ARG  53  -4.463   1.306   1.306
  365    HA   ARG  53           HA       ARG  53  -4.121   3.920   3.920
  366   1HB   ARG  53          2HB       ARG  53  -5.360   2.178   2.178
  367   2HB   ARG  53          3HB       ARG  53  -6.720   2.317   2.317
  368   1HG   ARG  53          2HG       ARG  53  -7.472   4.260   4.260
  369   2HG   ARG  53          3HG       ARG  53  -5.856   4.913   4.913
  370   1HD   ARG  53          2HD       ARG  53  -7.041   2.653   2.653
  371   2HD   ARG  53          3HD       ARG  53  -7.145   4.368   4.368
  372    HE   ARG  53           HE       ARG  53  -4.461   4.057   4.057
  373   1HH1  ARG  53          2HH2      ARG  53  -6.524   1.975   1.975
  374   2HH1  ARG  53          1HH2      ARG  53  -5.776   2.506   2.506
  375   1HH2  ARG  53          2HH1      ARG  53  -3.193   4.285   4.285
  376   2HH2  ARG  53          1HH1      ARG  53  -3.571   3.456   3.456
  377    H    ASP  54           HN       ASP  54  -6.259   2.807   2.807
  378    HA   ASP  54           HA       ASP  54  -7.417   5.430   5.430
  379   1HB   ASP  54          2HB       ASP  54  -7.441   2.841   2.841
  380   2HB   ASP  54          3HB       ASP  54  -7.585   4.311   4.311
  381    H    CYS  55           HN       CYS  55  -4.675   3.747   3.747
  382    HA   CYS  55           HA       CYS  55  -4.027   5.939   5.939
  383   1HB   CYS  55          2HB       CYS  55  -3.051   3.758   3.758
  384   2HB   CYS  55          3HB       CYS  55  -2.303   3.779   3.779
  385    H    PHE  56           HN       PHE  56  -2.886   5.137   5.137
  386    HA   PHE  56           HA       PHE  56  -1.113   7.263   7.263
  387   1HB   PHE  56          2HB       PHE  56  -1.453   5.215   5.215
  388   2HB   PHE  56          3HB       PHE  56  -2.929   5.924   5.924
  389    HD1  PHE  56          1HD       PHE  56   0.783   6.470   6.470
  390    HD2  PHE  56          2HD       PHE  56  -2.894   7.623   7.623
  391    HE1  PHE  56          1HE       PHE  56   2.074   7.421   7.421
  392    HE2  PHE  56          2HE       PHE  56  -1.593   8.644   8.644
  393    HZ   PHE  56           HZ       PHE  56   0.877   8.504   8.504
  394    H    ASN  57           HN       ASN  57  -4.624   7.057   7.057
  395    HA   ASN  57           HA       ASN  57  -4.574   9.717   9.717
  396   1HB   ASN  57          2HB       ASN  57  -6.855   7.876   7.876
  397   2HB   ASN  57          3HB       ASN  57  -7.173   9.487   9.487
  398   1HD2  ASN  57          2HD2      ASN  57  -7.453   6.830   6.830
  399   2HD2  ASN  57          1HD2      ASN  57  -7.942   6.739   6.739
  400    H    ALA  58           HN       ALA  58  -5.275   8.506   8.506
  401    HA   ALA  58           HA       ALA  58  -6.325  11.095  11.095
  402   1HB   ALA  58          3HB       ALA  58  -5.151   8.854   8.854
  403   2HB   ALA  58          1HB       ALA  58  -6.014  10.259  10.259
  404   3HB   ALA  58          2HB       ALA  58  -6.878   9.119   9.119
  405    H    CYS  59           HN       CYS  59  -3.090   9.614   9.614
  406    HA   CYS  59           HA       CYS  59  -2.034  11.905  11.905
  407   1HB   CYS  59          2HB       CYS  59  -1.139   9.034   9.034
  408   2HB   CYS  59          3HB       CYS  59  -0.268  10.241  10.241
  409    H    ILE  60           HN       ILE  60  -1.918  10.805  10.805
  410    HA   ILE  60           HA       ILE  60   0.668  12.179  12.179
  411    HB   ILE  60           HB       ILE  60  -0.286   9.656   9.656
  412   1HG1  ILE  60          2HG1      ILE  60   0.189   9.082   9.082
  413   2HG1  ILE  60          3HG1      ILE  60   1.220   8.309   8.309
  414   1HG2  ILE  60          3HG2      ILE  60   2.338  11.173  11.173
  415   2HG2  ILE  60          1HG2      ILE  60   2.115   9.552   9.552
  416   3HG2  ILE  60          2HG2      ILE  60   1.198  10.923  10.923
  417   1HD1  ILE  60          2HD1      ILE  60   2.041  10.743  10.743
  418   2HD1  ILE  60          3HD1      ILE  60   2.474   9.057   9.057
  419   3HD1  ILE  60          1HD1      ILE  60   3.066   9.846   9.846

  Start of MODEL    9
    1    H    TYR   1           HN       TYR   1 -12.930  10.270  10.270
    2    HA   TYR   1           HA       TYR   1 -12.106   8.432   8.432
    3   1HB   TYR   1          2HB       TYR   1 -10.314   8.517   8.517
    4   2HB   TYR   1          3HB       TYR   1 -11.235   9.964   9.964
    5    HD1  TYR   1           HD1      TYR   1 -10.380  12.203  12.203
    6    HD2  TYR   1           HD2      TYR   1  -7.998   8.671   8.671
    7    HE1  TYR   1           HE1      TYR   1  -8.303  13.511  13.511
    8    HE2  TYR   1           HE2      TYR   1  -5.946  10.044  10.044
    9    HH   TYR   1           HH       TYR   1  -5.171  12.300  12.300
   10    H    ASN   2           HN       ASN   2 -10.814   6.921   6.921
   11    HA   ASN   2           HA       ASN   2  -9.715   7.783   7.783
   12   1HB   ASN   2          2HB       ASN   2 -10.677   5.521   5.521
   13   2HB   ASN   2          3HB       ASN   2  -9.351   5.170   5.170
   14   1HD2  ASN   2          2HD2      ASN   2  -8.306   3.569   3.569
   15   2HD2  ASN   2          1HD2      ASN   2  -9.167   3.316   3.316
   16    H    ARG   3           HN       ARG   3  -7.331   7.602   7.602
   17    HA   ARG   3           HA       ARG   3  -5.676   8.822   8.822
   18   1HB   ARG   3          2HB       ARG   3  -5.492   9.427   9.427
   19   2HB   ARG   3          3HB       ARG   3  -4.841   7.819   7.819
   20   1HG   ARG   3          2HG       ARG   3  -2.940   8.218   8.218
   21   2HG   ARG   3          3HG       ARG   3  -3.613   9.766   9.766
   22   1HD   ARG   3          2HD       ARG   3  -2.787   9.175   9.175
   23   2HD   ARG   3          3HD       ARG   3  -1.742   9.947   9.947
   24    HE   ARG   3           HE       ARG   3  -4.385  11.213  11.213
   25   1HH1  ARG   3          2HH2      ARG   3  -0.900  11.688  11.688
   26   2HH1  ARG   3          1HH2      ARG   3  -1.105  12.687  12.687
   27   1HH2  ARG   3          1HH1      ARG   3  -3.305  13.664  13.664
   28   2HH2  ARG   3          2HH1      ARG   3  -4.619  12.868  12.868
   29    H    LEU   4           HN       LEU   4  -6.019   7.133   7.133
   30    HA   LEU   4           HA       LEU   4  -4.469   4.623   4.623
   31   1HB   LEU   4          2HB       LEU   4  -6.240   5.285   5.285
   32   2HB   LEU   4          3HB       LEU   4  -5.509   3.759   3.759
   33    HG   LEU   4           HG       LEU   4  -7.731   5.244   5.244
   34   1HD1  LEU   4          1HD1      LEU   4  -8.096   3.574   3.574
   35   2HD1  LEU   4          2HD1      LEU   4  -7.799   2.326   2.326
   36   3HD1  LEU   4          3HD1      LEU   4  -9.107   3.461   3.461
   37   1HD2  LEU   4          2HD2      LEU   4  -6.028   3.053   3.053
   38   2HD2  LEU   4          3HD2      LEU   4  -6.660   4.553   4.553
   39   3HD2  LEU   4          1HD2      LEU   4  -7.745   3.221   3.221
   40    H    CYS   5           HN       CYS   5  -4.253   7.716   7.716
   41    HA   CYS   5           HA       CYS   5  -2.341   6.853   6.853
   42   1HB   CYS   5          2HB       CYS   5  -3.208   8.987   8.987
   43   2HB   CYS   5          3HB       CYS   5  -2.882   9.562   9.562
   44    H    ILE   6           HN       ILE   6  -1.725   8.624   8.624
   45    HA   ILE   6           HA       ILE   6   1.022   7.849   7.849
   46    HB   ILE   6           HB       ILE   6  -0.664   9.148   9.148
   47   1HG1  ILE   6          2HG1      ILE   6   0.517  11.190  11.190
   48   2HG1  ILE   6          3HG1      ILE   6   0.202  10.171  10.171
   49   1HG2  ILE   6          2HG2      ILE   6   2.280   9.266   9.266
   50   2HG2  ILE   6          3HG2      ILE   6   1.586  10.208  10.208
   51   3HG2  ILE   6          1HG2      ILE   6   1.622   8.453   8.453
   52   1HD1  ILE   6          1HD1      ILE   6  -2.314  10.236  10.236
   53   2HD1  ILE   6          2HD1      ILE   6  -1.761  11.358  11.358
   54   3HD1  ILE   6          3HD1      ILE   6  -1.603  11.755  11.755
   55    H    LYS   7           HN       LYS   7   1.978   6.323   6.323
   56    HA   LYS   7           HA       LYS   7   0.374   4.290   4.290
   57   1HB   LYS   7          2HB       LYS   7   2.044   3.758   3.758
   58   2HB   LYS   7          3HB       LYS   7   3.296   4.521   4.521
   59   1HG   LYS   7          2HG       LYS   7   2.863   2.696   2.696
   60   2HG   LYS   7          3HG       LYS   7   1.759   1.975   1.975
   61   1HD   LYS   7          2HD       LYS   7   3.796   0.881   0.881
   62   2HD   LYS   7          3HD       LYS   7   3.695   2.223   2.223
   63   1HE   LYS   7          2HE       LYS   7   5.826   2.578   2.578
   64   2HE   LYS   7          3HE       LYS   7   5.104   3.491   3.491
   65   1HZ   LYS   7          3HZ       LYS   7   5.372   1.327   1.327
   66   2HZ   LYS   7          1HZ       LYS   7   6.425   0.952   0.952
   67   3HZ   LYS   7          2HZ       LYS   7   6.679   2.299   2.299
   68    HA   PRO   8           HA       PRO   8   2.041   6.527   6.527
   69   1HB   PRO   8          2HB       PRO   8  -0.239   6.696   6.696
   70   2HB   PRO   8          3HB       PRO   8   0.113   7.943   7.943
   71   1HG   PRO   8          2HG       PRO   8  -1.612   5.461   5.461
   72   2HG   PRO   8          3HG       PRO   8  -2.067   7.131   7.131
   73   1HD   PRO   8          2HD       PRO   8  -1.126   5.397   5.397
   74   2HD   PRO   8          3HD       PRO   8  -0.689   7.147   7.147
   75    H    ARG   9           HN       ARG   9   1.967   5.210   5.210
   76    HA   ARG   9           HA       ARG   9   1.553   3.464   3.464
   77   1HB   ARG   9          2HB       ARG   9  -0.655   3.178   3.178
   78   2HB   ARG   9          3HB       ARG   9   0.140   1.607   1.607
   79   1HG   ARG   9          2HG       ARG   9  -0.330   2.998   2.998
   80   2HG   ARG   9          3HG       ARG   9  -1.617   2.167   2.167
   81   1HD   ARG   9          2HD       ARG   9  -0.935   0.517   0.517
   82   2HD   ARG   9          3HD       ARG   9  -0.169   0.141   0.141
   83    HE   ARG   9           HE       ARG   9   1.712   1.577   1.577
   84   1HH1  ARG   9          2HH2      ARG   9   0.320  -1.611  -1.611
   85   2HH1  ARG   9          1HH2      ARG   9   0.929  -2.310  -2.310
   86   1HH2  ARG   9          2HH1      ARG   9   3.175   0.489   0.489
   87   2HH2  ARG   9          1HH1      ARG   9   3.033  -1.220  -1.220
   88    H    ASP  10           HN       ASP  10   3.255   2.516   2.516
   89    HA   ASP  10           HA       ASP  10   5.352   2.900   2.900
   90   1HB   ASP  10          2HB       ASP  10   6.747   1.659   1.659
   91   2HB   ASP  10          3HB       ASP  10   5.858   3.105   3.105
   92    H    TRP  11           HN       TRP  11   3.583  -0.147  -0.147
   93    HA   TRP  11           HA       TRP  11   4.161  -1.820  -1.820
   94   1HB   TRP  11          2HB       TRP  11   3.069  -0.016  -0.016
   95   2HB   TRP  11          3HB       TRP  11   4.378   0.921   0.921
   96    HD1  TRP  11           HD1      TRP  11   5.801  -1.252  -1.252
   97    HE1  TRP  11           HE1      TRP  11   4.667  -2.198  -2.198
   98    HE3  TRP  11           HE3      TRP  11   1.161  -0.019  -0.019
   99    HZ2  TRP  11           HZ2      TRP  11   1.926  -2.913  -2.913
  100    HZ3  TRP  11           HZ3      TRP  11  -0.855  -0.933  -0.933
  101    HH2  TRP  11           HH2      TRP  11  -0.418  -2.170  -2.170
  102    H    ILE  12           HN       ILE  12   6.681  -0.560  -0.560
  103    HA   ILE  12           HA       ILE  12   8.420  -1.625  -1.625
  104    HB   ILE  12           HB       ILE  12   8.814  -1.905  -1.905
  105   1HG1  ILE  12          2HG1      ILE  12  10.428  -0.674  -0.674
  106   2HG1  ILE  12          3HG1      ILE  12   9.198   0.145   0.145
  107   1HG2  ILE  12          2HG2      ILE  12  10.311  -3.537  -3.537
  108   2HG2  ILE  12          3HG2      ILE  12  11.090  -3.064  -3.064
  109   3HG2  ILE  12          1HG2      ILE  12   9.663  -4.062  -4.062
  110   1HD1  ILE  12          3HD1      ILE  12  10.536  -0.434  -0.434
  111   2HD1  ILE  12          1HD1      ILE  12  11.860  -0.908  -0.908
  112   3HD1  ILE  12          2HD1      ILE  12  11.235   0.757   0.757
  113    H    ASP  13           HN       ASP  13   7.511  -2.939  -2.939
  114    HA   ASP  13           HA       ASP  13   6.922  -5.679  -5.679
  115   1HB   ASP  13          2HB       ASP  13   5.249  -4.029  -4.029
  116   2HB   ASP  13          3HB       ASP  13   4.989  -5.673  -5.673
  117    H    GLU  14           HN       GLU  14   8.974  -6.325  -6.325
  118    HA   GLU  14           HA       GLU  14   9.358  -6.232  -6.232
  119   1HB   GLU  14          2HB       GLU  14  11.087  -7.358  -7.358
  120   2HB   GLU  14          3HB       GLU  14  11.461  -7.383  -7.383
  121   1HG   GLU  14          2HG       GLU  14  11.108  -4.816  -4.816
  122   2HG   GLU  14          3HG       GLU  14  12.662  -5.503  -5.503
  123    H    CYS  15           HN       CYS  15   7.379  -7.864  -7.864
  124    HA   CYS  15           HA       CYS  15   7.664 -10.648 -10.648
  125   1HB   CYS  15          2HB       CYS  15   5.243  -8.840  -8.840
  126   2HB   CYS  15          3HB       CYS  15   5.079 -10.542 -10.542
  127    H    ASP  16           HN       ASP  16   6.692 -11.864 -11.864
  128    HA   ASP  16           HA       ASP  16   6.808 -10.355 -10.355
  129   1HB   ASP  16          2HB       ASP  16   8.299 -12.493 -12.493
  130   2HB   ASP  16          3HB       ASP  16   6.961 -13.337 -13.337
  131    H    SER  17           HN       SER  17   5.739 -12.103 -12.103
  132    HA   SER  17           HA       SER  17   2.903 -11.510 -11.510
  133   1HB   SER  17          2HB       SER  17   4.067 -11.460 -11.460
  134   2HB   SER  17          3HB       SER  17   4.150 -13.201 -13.201
  135    HG   SER  17           HG       SER  17   2.010 -13.392 -13.392
  136    H    ASN  18           HN       ASN  18   1.211 -12.931 -12.931
  137    HA   ASN  18           HA       ASN  18   0.112 -14.394 -14.394
  138   1HB   ASN  18          2HB       ASN  18   0.217 -16.656 -16.656
  139   2HB   ASN  18          3HB       ASN  18   0.692 -15.807 -15.807
  140   1HD2  ASN  18          2HD2      ASN  18   3.868 -17.454 -17.454
  141   2HD2  ASN  18          1HD2      ASN  18   2.878 -16.157 -16.157
  142    H    GLU  19           HN       GLU  19   2.540 -13.153 -13.153
  143    HA   GLU  19           HA       GLU  19   3.103 -15.147 -15.147
  144   1HB   GLU  19          2HB       GLU  19   4.762 -13.468 -13.468
  145   2HB   GLU  19          3HB       GLU  19   3.870 -12.217 -12.217
  146   1HG   GLU  19          2HG       GLU  19   5.859 -12.926 -12.926
  147   2HG   GLU  19          3HG       GLU  19   4.502 -13.480 -13.480
  148    H    GLY  20           HN       GLY  20   2.928 -12.650 -12.650
  149   1HA   GLY  20          1HA       GLY  20   0.475 -13.382 -13.382
  150   2HA   GLY  20          2HA       GLY  20   1.513 -12.014 -12.014
  151    H    GLY  21           HN       GLY  21   1.551 -10.413 -10.413
  152   1HA   GLY  21          1HA       GLY  21  -1.100  -9.301  -9.301
  153   2HA   GLY  21          2HA       GLY  21   0.382  -8.686  -8.686
  154    H    GLU  22           HN       GLU  22  -1.365  -8.238  -8.238
  155    HA   GLU  22           HA       GLU  22  -0.727  -9.887  -9.887
  156   1HB   GLU  22          2HB       GLU  22  -3.504  -8.743  -8.743
  157   2HB   GLU  22          3HB       GLU  22  -2.955  -9.292  -9.292
  158   1HG   GLU  22          2HG       GLU  22  -2.361 -11.542 -11.542
  159   2HG   GLU  22          3HG       GLU  22  -3.513 -10.958 -10.958
  160    H    ARG  23           HN       ARG  23  -1.342  -8.273  -8.273
  161    HA   ARG  23           HA       ARG  23   0.454  -6.141  -6.141
  162   1HB   ARG  23          2HB       ARG  23  -0.689  -7.416  -7.416
  163   2HB   ARG  23          3HB       ARG  23  -0.944  -5.680  -5.680
  164   1HG   ARG  23          2HG       ARG  23   1.462  -5.293  -5.293
  165   2HG   ARG  23          3HG       ARG  23   1.728  -6.969  -6.969
  166   1HD   ARG  23          2HD       ARG  23   2.505  -6.512  -6.512
  167   2HD   ARG  23          3HD       ARG  23   0.958  -7.369  -7.369
  168    HE   ARG  23           HE       ARG  23   0.376  -4.615  -4.615
  169   1HH1  ARG  23          2HH2      ARG  23   2.379  -6.788  -6.788
  170   2HH1  ARG  23          1HH2      ARG  23   2.054  -5.951  -5.951
  171   1HH2  ARG  23          2HH1      ARG  23  -0.187  -3.623  -3.623
  172   2HH2  ARG  23          1HH1      ARG  23   0.841  -3.856  -3.856
  173    H    ALA  24           HN       ALA  24   0.117  -4.065  -4.065
  174    HA   ALA  24           HA       ALA  24  -2.628  -2.848  -2.848
  175   1HB   ALA  24          3HB       ALA  24  -0.438  -2.346  -2.346
  176   2HB   ALA  24          1HB       ALA  24  -1.872  -1.338  -1.338
  177   3HB   ALA  24          2HB       ALA  24  -2.043  -3.025  -3.025
  178    H    TYR  25           HN       TYR  25  -2.508  -0.434  -0.434
  179    HA   TYR  25           HA       TYR  25   0.022   0.384   0.384
  180   1HB   TYR  25          2HB       TYR  25  -2.869   1.123   1.123
  181   2HB   TYR  25          3HB       TYR  25  -1.509   1.899   1.899
  182    HD1  TYR  25           HD1      TYR  25  -3.335  -1.345  -1.345
  183    HD2  TYR  25           HD2      TYR  25  -0.172   0.735   0.735
  184    HE1  TYR  25           HE1      TYR  25  -3.375  -3.033  -3.033
  185    HE2  TYR  25           HE2      TYR  25  -0.233  -0.990  -0.990
  186    HH   TYR  25           HH       TYR  25  -2.790  -3.477  -3.477
  187    H    PHE  26           HN       PHE  26   0.830   2.256   2.256
  188    HA   PHE  26           HA       PHE  26  -0.830   4.191   4.191
  189   1HB   PHE  26          2HB       PHE  26   1.683   2.845   2.845
  190   2HB   PHE  26          3HB       PHE  26   1.133   4.395   4.395
  191    HD1  PHE  26          1HD       PHE  26  -0.006   0.824   0.824
  192    HD2  PHE  26          2HD       PHE  26  -0.595   4.565   4.565
  193    HE1  PHE  26          1HE       PHE  26  -1.154  -0.342  -0.342
  194    HE2  PHE  26          2HE       PHE  26  -1.696   3.392   3.392
  195    HZ   PHE  26           HZ       PHE  26  -1.831   0.873   0.873
  196    H    ARG  27           HN       ARG  27   0.815   6.224   6.224
  197    HA   ARG  27           HA       ARG  27   1.725   6.916   6.916
  198   1HB   ARG  27          2HB       ARG  27   1.191   8.810   8.810
  199   2HB   ARG  27          3HB       ARG  27   1.511   8.094   8.094
  200   1HG   ARG  27          2HG       ARG  27   3.975   8.537   8.537
  201   2HG   ARG  27          3HG       ARG  27   3.459   9.523   9.523
  202   1HD   ARG  27          2HD       ARG  27   2.225  11.013  11.013
  203   2HD   ARG  27          3HD       ARG  27   2.372   9.866   9.866
  204    HE   ARG  27           HE       ARG  27   4.501  10.523  10.523
  205   1HH1  ARG  27          2HH2      ARG  27   3.579  12.095  12.095
  206   2HH1  ARG  27          1HH2      ARG  27   5.030  13.056  13.056
  207   1HH2  ARG  27          2HH1      ARG  27   6.398  11.462  11.462
  208   2HH2  ARG  27          1HH1      ARG  27   6.873  12.347  12.347
  209    H    ASN  28           HN       ASN  28   3.799   6.889   6.889
  210    HA   ASN  28           HA       ASN  28   6.050   5.983   5.983
  211   1HB   ASN  28          2HB       ASN  28   7.291   5.389   5.389
  212   2HB   ASN  28          3HB       ASN  28   5.697   4.818   4.818
  213   1HD2  ASN  28          2HD2      ASN  28   6.752   6.069   6.069
  214   2HD2  ASN  28          1HD2      ASN  28   6.665   4.644   4.644
  215    H    GLY  29           HN       GLY  29   8.011   7.215   7.215
  216   1HA   GLY  29          1HA       GLY  29   7.305  10.067  10.067
  217   2HA   GLY  29          2HA       GLY  29   8.761   9.224   9.224
  218    H    LYS  30           HN       LYS  30   7.404   9.262   9.262
  219    HA   LYS  30           HA       LYS  30   9.412  11.264  11.264
  220   1HB   LYS  30          2HB       LYS  30  10.736   9.352   9.352
  221   2HB   LYS  30          3HB       LYS  30   9.386   8.354   8.354
  222   1HG   LYS  30          2HG       LYS  30   9.274   9.476   9.476
  223   2HG   LYS  30          3HG       LYS  30  10.351  10.779  10.779
  224   1HD   LYS  30          2HD       LYS  30  12.279   9.341   9.341
  225   2HD   LYS  30          3HD       LYS  30  11.273   7.894   7.894
  226   1HE   LYS  30          2HE       LYS  30  12.236   8.178   8.178
  227   2HE   LYS  30          3HE       LYS  30  10.493   8.410   8.410
  228   1HZ   LYS  30          2HZ       LYS  30  12.485  10.603  10.603
  229   2HZ   LYS  30          3HZ       LYS  30  11.766   9.991   9.991
  230   3HZ   LYS  30          1HZ       LYS  30  10.871  10.784  10.784
  231    H    GLY  31           HN       GLY  31   7.047   8.925   8.925
  232   1HA   GLY  31          1HA       GLY  31   5.152  10.833  10.833
  233   2HA   GLY  31          2HA       GLY  31   6.387  10.701  10.701
  234    H    GLY  32           HN       GLY  32   4.820   8.315   8.315
  235   1HA   GLY  32          1HA       GLY  32   3.196   7.147   7.147
  236   2HA   GLY  32          2HA       GLY  32   4.681   6.185   6.185
  237    H    CYS  33           HN       CYS  33   2.787   4.687   4.687
  238    HA   CYS  33           HA       CYS  33   2.075   5.180   5.180
  239   1HB   CYS  33          2HB       CYS  33   1.141   3.129   3.129
  240   2HB   CYS  33          3HB       CYS  33   0.740   3.070   3.070
  241    H    ASP  34           HN       ASP  34   2.960   4.002   4.002
  242    HA   ASP  34           HA       ASP  34   5.227   2.182   2.182
  243   1HB   ASP  34          2HB       ASP  34   5.323   3.934   3.934
  244   2HB   ASP  34          3HB       ASP  34   3.912   3.155   3.155
  245    H    SER  35           HN       SER  35   5.049   0.064   0.064
  246    HA   SER  35           HA       SER  35   2.395  -0.974  -0.974
  247   1HB   SER  35          2HB       SER  35   3.823  -1.831  -1.831
  248   2HB   SER  35          3HB       SER  35   2.377  -2.588  -2.588
  249    HG   SER  35           HG       SER  35   1.749  -0.093  -0.093
  250    H    PHE  36           HN       PHE  36   2.619  -2.684  -2.684
  251    HA   PHE  36           HA       PHE  36   5.094  -4.316  -4.316
  252   1HB   PHE  36          2HB       PHE  36   4.446  -3.990  -3.990
  253   2HB   PHE  36          3HB       PHE  36   5.705  -3.094  -3.094
  254    HD1  PHE  36          2HD       PHE  36   2.013  -2.960  -2.960
  255    HD2  PHE  36          1HD       PHE  36   5.685  -0.716  -0.716
  256    HE1  PHE  36          2HE       PHE  36   0.892  -0.977  -0.977
  257    HE2  PHE  36          1HE       PHE  36   4.523   1.294   1.294
  258    HZ   PHE  36           HZ       PHE  36   2.120   1.135   1.135
  259    H    TRP  37           HN       TRP  37   4.673  -6.102  -6.102
  260    HA   TRP  37           HA       TRP  37   1.884  -7.095  -7.095
  261   1HB   TRP  37          2HB       TRP  37   4.411  -8.547  -8.547
  262   2HB   TRP  37          3HB       TRP  37   2.858  -9.214  -9.214
  263    HD1  TRP  37           HD1      TRP  37   6.159  -7.950  -7.950
  264    HE1  TRP  37           HE1      TRP  37   6.229  -8.155  -8.155
  265    HE3  TRP  37           HE3      TRP  37   1.322  -9.379  -9.379
  266    HZ2  TRP  37           HZ2      TRP  37   4.356  -8.826  -8.826
  267    HZ3  TRP  37           HZ3      TRP  37   0.500  -9.792  -9.792
  268    HH2  TRP  37           HH2      TRP  37   1.989  -9.482  -9.482
  269    H    ILE  38           HN       ILE  38   0.941  -6.704  -6.704
  270    HA   ILE  38           HA       ILE  38   2.333  -5.205  -5.205
  271    HB   ILE  38           HB       ILE  38  -0.128  -6.902  -6.902
  272   1HG1  ILE  38          2HG1      ILE  38   0.036  -4.226  -4.226
  273   2HG1  ILE  38          3HG1      ILE  38  -0.625  -5.720  -5.720
  274   1HG2  ILE  38          1HG2      ILE  38   0.956  -5.740  -5.740
  275   2HG2  ILE  38          2HG2      ILE  38   0.717  -4.200  -4.200
  276   3HG2  ILE  38          3HG2      ILE  38  -0.665  -5.181  -5.181
  277   1HD1  ILE  38          3HD1      ILE  38  -2.368  -5.695  -5.695
  278   2HD1  ILE  38          1HD1      ILE  38  -1.819  -4.030  -4.030
  279   3HD1  ILE  38          2HD1      ILE  38  -2.462  -4.428  -4.428
  280    H    CYS  39           HN       CYS  39   2.983  -6.108  -6.108
  281    HA   CYS  39           HA       CYS  39   3.657  -8.998  -8.998
  282   1HB   CYS  39          2HB       CYS  39   5.261  -6.587  -6.587
  283   2HB   CYS  39          3HB       CYS  39   5.185  -7.712  -7.712
  284    HA   PRO  40           HA       PRO  40   1.045  -9.628  -9.628
  285   1HB   PRO  40          2HB       PRO  40   2.324 -11.441 -11.441
  286   2HB   PRO  40          3HB       PRO  40   1.751 -11.837 -11.837
  287   1HG   PRO  40          2HG       PRO  40   4.542 -11.075 -11.075
  288   2HG   PRO  40          3HG       PRO  40   4.058 -12.445 -12.445
  289   1HD   PRO  40          2HD       PRO  40   4.926 -10.071 -10.071
  290   2HD   PRO  40          3HD       PRO  40   3.672 -11.017 -11.017
  291    H    GLU  41           HN       GLU  41   4.245  -8.436  -8.436
  292    HA   GLU  41           HA       GLU  41   4.449  -7.914  -7.914
  293   1HB   GLU  41          2HB       GLU  41   6.168  -7.563  -7.563
  294   2HB   GLU  41          3HB       GLU  41   5.222  -6.238  -6.238
  295   1HG   GLU  41          2HG       GLU  41   6.887  -5.266  -5.266
  296   2HG   GLU  41          3HG       GLU  41   5.387  -5.065  -5.065
  297    H    ASP  42           HN       ASP  42   3.286  -5.484  -5.484
  298    HA   ASP  42           HA       ASP  42   1.733  -4.112  -4.112
  299   1HB   ASP  42          2HB       ASP  42   2.923  -3.143  -3.143
  300   2HB   ASP  42          3HB       ASP  42   1.372  -3.524  -3.524
  301    H    HIS  43           HN       HIS  43  -0.603  -3.634  -3.634
  302    HA   HIS  43           HA       HIS  43  -1.881  -5.036  -5.036
  303   1HB   HIS  43          2HB       HIS  43  -1.890  -6.468  -6.468
  304   2HB   HIS  43          3HB       HIS  43  -3.468  -5.806  -5.806
  305    HD1  HIS  43           HD1      HIS  43  -4.525  -8.218  -8.218
  306    HD2  HIS  43           HD2      HIS  43  -1.222  -7.180  -7.180
  307    HE1  HIS  43           HE1      HIS  43  -4.346  -9.988  -9.988
  308    H    THR  44           HN       THR  44  -1.855  -2.809  -2.809
  309    HA   THR  44           HA       THR  44  -2.875  -0.970  -0.970
  310    HB   THR  44           HB       THR  44  -0.955  -0.401  -0.401
  311    HG1  THR  44          1HG       THR  44  -3.277   1.039   1.039
  312   1HG2  THR  44          3HG2      THR  44  -2.644  -0.861  -0.861
  313   2HG2  THR  44          1HG2      THR  44  -1.130   0.063   0.063
  314   3HG2  THR  44          2HG2      THR  44  -1.112  -1.644  -1.644
  315    H    GLY  45           HN       GLY  45  -4.941  -2.776  -2.776
  316   1HA   GLY  45          1HA       GLY  45  -7.167  -2.844  -2.844
  317   2HA   GLY  45          2HA       GLY  45  -7.042  -1.203  -1.203
  318    H    ALA  46           HN       ALA  46  -4.996  -1.312  -1.312
  319    HA   ALA  46           HA       ALA  46  -4.386  -1.643  -1.643
  320   1HB   ALA  46          2HB       ALA  46  -4.830  -4.587  -4.587
  321   2HB   ALA  46          3HB       ALA  46  -4.081  -3.925  -3.925
  322   3HB   ALA  46          1HB       ALA  46  -3.324  -3.649  -3.649
  323    H    ASP  47           HN       ASP  47  -6.347  -0.371  -0.371
  324    HA   ASP  47           HA       ASP  47  -8.654  -1.385  -1.385
  325   1HB   ASP  47          2HB       ASP  47  -8.992   0.398   0.398
  326   2HB   ASP  47          3HB       ASP  47  -7.694   1.364   1.364
  327    H    TYR  48           HN       TYR  48  -6.199   1.055   1.055
  328    HA   TYR  48           HA       TYR  48  -5.075   1.912   1.912
  329   1HB   TYR  48          2HB       TYR  48  -3.415   0.525   0.525
  330   2HB   TYR  48          3HB       TYR  48  -3.651   0.164   0.164
  331    HD1  TYR  48           HD1      TYR  48  -4.392  -1.050  -1.050
  332    HD2  TYR  48           HD2      TYR  48  -4.056  -2.074  -2.074
  333    HE1  TYR  48           HE1      TYR  48  -5.798  -3.059  -3.059
  334    HE2  TYR  48           HE2      TYR  48  -5.199  -4.255  -4.255
  335    HH   TYR  48           HH       TYR  48  -6.376  -5.462  -5.462
  336    H    TYR  49           HN       TYR  49  -4.472   1.922   1.922
  337    HA   TYR  49           HA       TYR  49  -7.048   1.687   1.687
  338   1HB   TYR  49          2HB       TYR  49  -4.320   2.728   2.728
  339   2HB   TYR  49          3HB       TYR  49  -5.677   2.578   2.578
  340    HD1  TYR  49           HD1      TYR  49  -8.024   3.546   3.546
  341    HD2  TYR  49           HD2      TYR  49  -4.030   4.939   4.939
  342    HE1  TYR  49           HE1      TYR  49  -8.916   5.776   5.776
  343    HE2  TYR  49           HE2      TYR  49  -4.927   7.231   7.231
  344    HH   TYR  49           HH       TYR  49  -8.409   7.972   7.972
  345    H    SER  50           HN       SER  50  -7.666  -0.233  -0.233
  346    HA   SER  50           HA       SER  50  -5.857  -2.454  -2.454
  347   1HB   SER  50          2HB       SER  50  -8.019  -3.413  -3.413
  348   2HB   SER  50          3HB       SER  50  -8.087  -2.909  -2.909
  349    HG   SER  50           HG       SER  50  -8.878  -1.216  -1.216
  350    H    SER  51           HN       SER  51  -6.459   0.252   0.252
  351    HA   SER  51           HA       SER  51  -5.609  -1.209  -1.209
  352   1HB   SER  51          2HB       SER  51  -7.431   0.216   0.216
  353   2HB   SER  51          3HB       SER  51  -7.889  -1.246  -1.246
  354    HG   SER  51           HG       SER  51  -8.317   1.433   1.433
  355    H    TYR  52           HN       TYR  52  -4.361  -0.189  -0.189
  356    HA   TYR  52           HA       TYR  52  -2.581   1.755   1.755
  357   1HB   TYR  52          2HB       TYR  52  -1.983   0.135   0.135
  358   2HB   TYR  52          3HB       TYR  52  -3.153   0.900   0.900
  359    HD1  TYR  52           HD2      TYR  52   0.128   1.337   1.337
  360    HD2  TYR  52           HD1      TYR  52  -2.667   2.963   2.963
  361    HE1  TYR  52           HE2      TYR  52   1.912   2.768   2.768
  362    HE2  TYR  52           HE1      TYR  52  -0.891   4.445   4.445
  363    HH   TYR  52           HH       TYR  52   2.501   4.148   4.148
  364    H    ARG  53           HN       ARG  53  -5.119   2.060   2.060
  365    HA   ARG  53           HA       ARG  53  -4.764   4.768   4.768
  366   1HB   ARG  53          2HB       ARG  53  -6.686   2.811   2.811
  367   2HB   ARG  53          3HB       ARG  53  -7.603   4.048   4.048
  368   1HG   ARG  53          2HG       ARG  53  -7.660   4.758   4.758
  369   2HG   ARG  53          3HG       ARG  53  -6.455   5.797   5.797
  370   1HD   ARG  53          2HD       ARG  53  -4.683   4.101   4.101
  371   2HD   ARG  53          3HD       ARG  53  -6.012   3.343   3.343
  372    HE   ARG  53           HE       ARG  53  -5.149   6.215   6.215
  373   1HH1  ARG  53          2HH2      ARG  53  -5.920   3.105   3.105
  374   2HH1  ARG  53          1HH2      ARG  53  -6.406   3.942   3.942
  375   1HH2  ARG  53          2HH1      ARG  53  -5.155   7.125   7.125
  376   2HH2  ARG  53          1HH1      ARG  53  -5.475   6.074   6.074
  377    H    ASP  54           HN       ASP  54  -6.344   3.274   3.274
  378    HA   ASP  54           HA       ASP  54  -7.670   5.674   5.674
  379   1HB   ASP  54          2HB       ASP  54  -7.094   3.079   3.079
  380   2HB   ASP  54          3HB       ASP  54  -7.836   4.491   4.491
  381    H    CYS  55           HN       CYS  55  -4.722   4.008   4.008
  382    HA   CYS  55           HA       CYS  55  -3.992   6.275   6.275
  383   1HB   CYS  55          2HB       CYS  55  -2.666   4.452   4.452
  384   2HB   CYS  55          3HB       CYS  55  -2.591   3.855   3.855
  385    H    PHE  56           HN       PHE  56  -3.282   5.556   5.556
  386    HA   PHE  56           HA       PHE  56  -1.485   7.673   7.673
  387   1HB   PHE  56          2HB       PHE  56  -2.006   5.795   5.795
  388   2HB   PHE  56          3HB       PHE  56  -3.462   6.663   6.663
  389    HD1  PHE  56          2HD       PHE  56  -3.132   9.169   9.169
  390    HD2  PHE  56          1HD       PHE  56   0.095   6.314   6.314
  391    HE1  PHE  56          2HE       PHE  56  -1.611  10.731  10.731
  392    HE2  PHE  56          1HE       PHE  56   1.517   7.777   7.777
  393    HZ   PHE  56           HZ       PHE  56   0.691  10.030  10.030
  394    H    ASN  57           HN       ASN  57  -5.044   7.641   7.641
  395    HA   ASN  57           HA       ASN  57  -4.874  10.379  10.379
  396   1HB   ASN  57          2HB       ASN  57  -7.127  10.389  10.389
  397   2HB   ASN  57          3HB       ASN  57  -6.697   8.705   8.705
  398   1HD2  ASN  57          2HD2      ASN  57  -8.886   7.480   7.480
  399   2HD2  ASN  57          1HD2      ASN  57  -7.634   7.126   7.126
  400    H    ALA  58           HN       ALA  58  -5.602   8.720   8.720
  401    HA   ALA  58           HA       ALA  58  -6.662  11.056  11.056
  402   1HB   ALA  58          1HB       ALA  58  -7.251   8.754   8.754
  403   2HB   ALA  58          2HB       ALA  58  -5.558   8.474   8.474
  404   3HB   ALA  58          3HB       ALA  58  -6.536   9.694   9.694
  405    H    CYS  59           HN       CYS  59  -3.355  10.076  10.076
  406    HA   CYS  59           HA       CYS  59  -2.485  12.267  12.267
  407   1HB   CYS  59          2HB       CYS  59  -2.500   9.670   9.670
  408   2HB   CYS  59          3HB       CYS  59  -0.893   9.749   9.749
  409    H    ILE  60           HN       ILE  60  -2.161  11.218  11.218
  410    HA   ILE  60           HA       ILE  60   0.562  12.403  12.403
  411    HB   ILE  60           HB       ILE  60  -0.682  10.273  10.273
  412   1HG1  ILE  60          2HG1      ILE  60  -0.206   9.312   9.312
  413   2HG1  ILE  60          3HG1      ILE  60   0.795   8.654   8.654
  414   1HG2  ILE  60          2HG2      ILE  60   2.085  11.536  11.536
  415   2HG2  ILE  60          3HG2      ILE  60   1.679  10.079  10.079
  416   3HG2  ILE  60          1HG2      ILE  60   0.897  11.622  11.622
  417   1HD1  ILE  60          2HD1      ILE  60   1.732  10.800  10.800
  418   2HD1  ILE  60          3HD1      ILE  60   2.040   9.067   9.067
  419   3HD1  ILE  60          1HD1      ILE  60   2.723   9.967   9.967

  Start of MODEL   10
    1    H    TYR   1           HN       TYR   1   0.957  14.540  14.540
    2    HA   TYR   1           HA       TYR   1   0.640  15.421  15.421
    3   1HB   TYR   1          2HB       TYR   1  -1.777  14.765  14.765
    4   2HB   TYR   1          3HB       TYR   1  -1.507  16.069  16.069
    5    HD1  TYR   1           HD1      TYR   1  -0.190  18.131  18.131
    6    HD2  TYR   1           HD2      TYR   1  -1.709  15.054  15.054
    7    HE1  TYR   1           HE1      TYR   1  -0.526  19.802  19.802
    8    HE2  TYR   1           HE2      TYR   1  -2.132  16.734  16.734
    9    HH   TYR   1           HH       TYR   1  -2.456  18.998  18.998
   10    H    ASN   2           HN       ASN   2   1.776  12.735  12.735
   11    HA   ASN   2           HA       ASN   2   1.374  10.494  10.494
   12   1HB   ASN   2          2HB       ASN   2   1.014   9.712   9.712
   13   2HB   ASN   2          3HB       ASN   2   2.032  11.147  11.147
   14   1HD2  ASN   2          2HD2      ASN   2  -0.237  13.029  13.029
   15   2HD2  ASN   2          1HD2      ASN   2   1.311  12.999  12.999
   16    H    ARG   3           HN       ARG   3  -0.934  11.785  11.785
   17    HA   ARG   3           HA       ARG   3  -3.282  10.386  10.386
   18   1HB   ARG   3          2HB       ARG   3  -3.149  12.754  12.754
   19   2HB   ARG   3          3HB       ARG   3  -3.176  11.893  11.893
   20   1HG   ARG   3          2HG       ARG   3  -5.233  11.598  11.598
   21   2HG   ARG   3          3HG       ARG   3  -5.370  12.734  12.734
   22   1HD   ARG   3          2HD       ARG   3  -5.181  10.725  10.725
   23   2HD   ARG   3          3HD       ARG   3  -5.504   9.696   9.696
   24    HE   ARG   3           HE       ARG   3  -7.380  11.372  11.372
   25   1HH1  ARG   3          2HH2      ARG   3  -6.742   9.976   9.976
   26   2HH1  ARG   3          1HH2      ARG   3  -8.393   9.577   9.577
   27   1HH2  ARG   3          2HH1      ARG   3  -9.557  10.890  10.890
   28   2HH2  ARG   3          1HH1      ARG   3 -10.078  10.188  10.188
   29    H    LEU   4           HN       LEU   4  -4.047   8.509   8.509
   30    HA   LEU   4           HA       LEU   4  -2.562   6.579   6.579
   31   1HB   LEU   4          2HB       LEU   4  -4.853   6.780   6.780
   32   2HB   LEU   4          3HB       LEU   4  -4.155   5.304   5.304
   33    HG   LEU   4           HG       LEU   4  -5.747   7.341   7.341
   34   1HD1  LEU   4          2HD1      LEU   4  -7.117   6.212   6.212
   35   2HD1  LEU   4          3HD1      LEU   4  -6.553   4.632   4.632
   36   3HD1  LEU   4          1HD1      LEU   4  -7.554   5.636   5.636
   37   1HD2  LEU   4          1HD2      LEU   4  -4.062   5.616   5.616
   38   2HD2  LEU   4          2HD2      LEU   4  -5.709   5.877   5.877
   39   3HD2  LEU   4          3HD2      LEU   4  -5.369   4.476   4.476
   40    H    CYS   5           HN       CYS   5  -3.196   8.580   8.580
   41    HA   CYS   5           HA       CYS   5  -1.812   7.095   7.095
   42   1HB   CYS   5          2HB       CYS   5  -3.028   9.014   9.014
   43   2HB   CYS   5          3HB       CYS   5  -2.289  10.033  10.033
   44    H    ILE   6           HN       ILE   6  -0.467   9.747   9.747
   45    HA   ILE   6           HA       ILE   6   2.213   8.874   8.874
   46    HB   ILE   6           HB       ILE   6   1.111  10.740  10.740
   47   1HG1  ILE   6          2HG1      ILE   6   1.811  12.441  12.441
   48   2HG1  ILE   6          3HG1      ILE   6   1.697  11.288  11.288
   49   1HG2  ILE   6          1HG2      ILE   6   3.462   9.815   9.815
   50   2HG2  ILE   6          2HG2      ILE   6   3.756  10.347  10.347
   51   3HG2  ILE   6          3HG2      ILE   6   3.484  11.548  11.548
   52   1HD1  ILE   6          1HD1      ILE   6  -0.598  12.023  12.023
   53   2HD1  ILE   6          2HD1      ILE   6  -0.192  13.012  13.012
   54   3HD1  ILE   6          3HD1      ILE   6  -0.716  11.364  11.364
   55    H    LYS   7           HN       LYS   7   2.133   6.853   6.853
   56    HA   LYS   7           HA       LYS   7   1.597   6.074   6.074
   57   1HB   LYS   7          2HB       LYS   7   0.429   4.699   4.699
   58   2HB   LYS   7          3HB       LYS   7   1.895   4.338   4.338
   59   1HG   LYS   7          2HG       LYS   7   1.162   2.461   2.461
   60   2HG   LYS   7          3HG       LYS   7   2.760   2.985   2.985
   61   1HD   LYS   7          2HD       LYS   7   0.990   4.325   4.325
   62   2HD   LYS   7          3HD       LYS   7   0.186   2.773   2.773
   63   1HE   LYS   7          2HE       LYS   7   2.033   1.553   1.553
   64   2HE   LYS   7          3HE       LYS   7   3.129   2.911   2.911
   65   1HZ   LYS   7          3HZ       LYS   7   0.691   2.655   2.655
   66   2HZ   LYS   7          1HZ       LYS   7   2.149   2.191   2.191
   67   3HZ   LYS   7          2HZ       LYS   7   1.859   3.769   3.769
   68    HA   PRO   8           HA       PRO   8   5.702   3.862   3.862
   69   1HB   PRO   8          2HB       PRO   8   7.689   5.089   5.089
   70   2HB   PRO   8          3HB       PRO   8   6.456   3.977   3.977
   71   1HG   PRO   8          2HG       PRO   8   6.468   6.984   6.984
   72   2HG   PRO   8          3HG       PRO   8   5.974   5.840   5.840
   73   1HD   PRO   8          2HD       PRO   8   4.232   7.170   7.170
   74   2HD   PRO   8          3HD       PRO   8   3.788   5.570   5.570
   75    H    ARG   9           HN       ARG   9   5.616   4.465   4.465
   76    HA   ARG   9           HA       ARG   9   7.746   6.205   6.205
   77   1HB   ARG   9          2HB       ARG   9   5.334   7.404   7.404
   78   2HB   ARG   9          3HB       ARG   9   5.064   7.074   7.074
   79   1HG   ARG   9          2HG       ARG   9   7.458   8.599   8.599
   80   2HG   ARG   9          3HG       ARG   9   5.970   9.315   9.315
   81   1HD   ARG   9          2HD       ARG   9   7.407   9.591   9.591
   82   2HD   ARG   9          3HD       ARG   9   6.442   8.199   8.199
   83    HE   ARG   9           HE       ARG   9   8.614   6.958   6.958
   84   1HH1  ARG   9          2HH2      ARG   9   8.180   9.324   9.324
   85   2HH1  ARG   9          1HH2      ARG   9   9.683   9.001   9.001
   86   1HH2  ARG   9          2HH1      ARG   9  10.506   6.515   6.515
   87   2HH2  ARG   9          1HH1      ARG   9  11.182   7.348   7.348
   88    H    ASP  10           HN       ASP  10   7.035   3.385   3.385
   89    HA   ASP  10           HA       ASP  10   7.823   2.892   2.892
   90   1HB   ASP  10          2HB       ASP  10   4.885   3.436   3.436
   91   2HB   ASP  10          3HB       ASP  10   5.391   1.895   1.895
   92    H    TRP  11           HN       TRP  11   4.900   1.704   1.704
   93    HA   TRP  11           HA       TRP  11   5.052  -1.017  -1.017
   94   1HB   TRP  11          2HB       TRP  11   3.244   0.150   0.150
   95   2HB   TRP  11          3HB       TRP  11   4.093   0.986   0.986
   96    HD1  TRP  11           HD1      TRP  11   5.221  -1.257  -1.257
   97    HE1  TRP  11           HE1      TRP  11   3.652  -2.338  -2.338
   98    HE3  TRP  11           HE3      TRP  11   0.976  -0.173  -0.173
   99    HZ2  TRP  11           HZ2      TRP  11   0.738  -2.209  -2.209
  100    HZ3  TRP  11           HZ3      TRP  11  -1.279  -0.591  -0.591
  101    HH2  TRP  11           HH2      TRP  11  -1.333  -1.423  -1.423
  102    H    ILE  12           HN       ILE  12   6.118  -2.587  -2.587
  103    HA   ILE  12           HA       ILE  12   8.854  -1.932  -1.932
  104    HB   ILE  12           HB       ILE  12   7.728  -4.291  -4.291
  105   1HG1  ILE  12          2HG1      ILE  12   9.296  -1.847  -1.847
  106   2HG1  ILE  12          3HG1      ILE  12   7.584  -2.178  -2.178
  107   1HG2  ILE  12          1HG2      ILE  12   9.834  -4.754  -4.754
  108   2HG2  ILE  12          2HG2      ILE  12  10.622  -3.446  -3.446
  109   3HG2  ILE  12          3HG2      ILE  12  10.023  -4.891  -4.891
  110   1HD1  ILE  12          2HD1      ILE  12   8.218  -4.263  -4.263
  111   2HD1  ILE  12          3HD1      ILE  12   9.926  -3.776  -3.776
  112   3HD1  ILE  12          1HD1      ILE  12   8.789  -2.760  -2.760
  113    H    ASP  13           HN       ASP  13   7.857  -1.797  -1.797
  114    HA   ASP  13           HA       ASP  13   6.790  -4.057  -4.057
  115   1HB   ASP  13          2HB       ASP  13   6.367  -1.894  -1.894
  116   2HB   ASP  13          3HB       ASP  13   8.055  -1.423  -1.423
  117    H    GLU  14           HN       GLU  14   8.251  -5.655  -5.655
  118    HA   GLU  14           HA       GLU  14  10.641  -6.091  -6.091
  119   1HB   GLU  14          2HB       GLU  14  10.355  -6.592  -6.592
  120   2HB   GLU  14          3HB       GLU  14  11.710  -7.072  -7.072
  121   1HG   GLU  14          2HG       GLU  14  10.900  -4.154  -4.154
  122   2HG   GLU  14          3HG       GLU  14  12.057  -5.050  -5.050
  123    H    CYS  15           HN       CYS  15   7.785  -7.036  -7.036
  124    HA   CYS  15           HA       CYS  15   7.985 -10.059 -10.059
  125   1HB   CYS  15          2HB       CYS  15   5.703  -8.036  -8.036
  126   2HB   CYS  15          3HB       CYS  15   5.470  -9.755  -9.755
  127    H    ASP  16           HN       ASP  16   6.543 -11.146 -11.146
  128    HA   ASP  16           HA       ASP  16   6.712  -9.928  -9.928
  129   1HB   ASP  16          2HB       ASP  16   7.542 -12.704 -12.704
  130   2HB   ASP  16          3HB       ASP  16   7.214 -12.321 -12.321
  131    H    SER  17           HN       SER  17   5.354 -11.379 -11.379
  132    HA   SER  17           HA       SER  17   2.685 -11.277 -11.277
  133   1HB   SER  17          2HB       SER  17   3.198 -13.157 -13.157
  134   2HB   SER  17          3HB       SER  17   2.021 -11.893 -11.893
  135    HG   SER  17           HG       SER  17   4.814 -11.438 -11.438
  136    H    ASN  18           HN       ASN  18   1.822 -12.443 -12.443
  137    HA   ASN  18           HA       ASN  18   0.893 -14.200 -14.200
  138   1HB   ASN  18          2HB       ASN  18   0.746 -15.623 -15.623
  139   2HB   ASN  18          3HB       ASN  18   2.444 -16.098 -16.098
  140   1HD2  ASN  18          2HD2      ASN  18   2.031 -18.424 -18.424
  141   2HD2  ASN  18          1HD2      ASN  18   3.165 -17.530 -17.530
  142    H    GLU  19           HN       GLU  19   4.418 -14.119 -14.119
  143    HA   GLU  19           HA       GLU  19   4.973 -15.106 -15.106
  144   1HB   GLU  19          2HB       GLU  19   6.432 -14.271 -14.271
  145   2HB   GLU  19          3HB       GLU  19   7.185 -13.757 -13.757
  146   1HG   GLU  19          2HG       GLU  19   7.911 -15.737 -15.737
  147   2HG   GLU  19          3HG       GLU  19   6.441 -16.592 -16.592
  148    H    GLY  20           HN       GLY  20   3.064 -13.354 -13.354
  149   1HA   GLY  20          1HA       GLY  20   3.997 -10.815 -10.815
  150   2HA   GLY  20          2HA       GLY  20   3.541 -10.741 -10.741
  151    H    GLY  21           HN       GLY  21   2.059  -9.194  -9.194
  152   1HA   GLY  21          1HA       GLY  21  -0.520 -10.342 -10.342
  153   2HA   GLY  21          2HA       GLY  21  -0.111  -8.631  -8.631
  154    H    GLU  22           HN       GLU  22  -2.054  -8.470  -8.470
  155    HA   GLU  22           HA       GLU  22  -2.050  -9.475  -9.475
  156   1HB   GLU  22          2HB       GLU  22  -4.144  -9.059  -9.059
  157   2HB   GLU  22          3HB       GLU  22  -3.733  -7.332  -7.332
  158   1HG   GLU  22          2HG       GLU  22  -4.057  -7.350  -7.350
  159   2HG   GLU  22          3HG       GLU  22  -4.398  -9.098  -9.098
  160    H    ARG  23           HN       ARG  23  -2.194  -7.672  -7.672
  161    HA   ARG  23           HA       ARG  23   0.023  -5.838  -5.838
  162   1HB   ARG  23          2HB       ARG  23  -1.237  -6.998  -6.998
  163   2HB   ARG  23          3HB       ARG  23  -1.326  -5.234  -5.234
  164   1HG   ARG  23          2HG       ARG  23   1.095  -5.080  -5.080
  165   2HG   ARG  23          3HG       ARG  23   1.185  -6.781  -6.781
  166   1HD   ARG  23          2HD       ARG  23   2.016  -6.355  -6.355
  167   2HD   ARG  23          3HD       ARG  23   0.400  -7.028  -7.028
  168    HE   ARG  23           HE       ARG  23   1.114  -4.097  -4.097
  169   1HH1  ARG  23          2HH2      ARG  23  -1.176  -6.324  -6.324
  170   2HH1  ARG  23          1HH2      ARG  23  -0.785  -5.910  -5.910
  171   1HH2  ARG  23          2HH1      ARG  23   2.022  -3.994  -3.994
  172   2HH2  ARG  23          1HH1      ARG  23   1.142  -4.656  -4.656
  173    H    ALA  24           HN       ALA  24  -0.179  -3.517  -3.517
  174    HA   ALA  24           HA       ALA  24  -2.836  -2.308  -2.308
  175   1HB   ALA  24          2HB       ALA  24  -1.100  -1.991  -1.991
  176   2HB   ALA  24          3HB       ALA  24  -2.345  -0.808  -0.808
  177   3HB   ALA  24          1HB       ALA  24  -2.801  -2.480  -2.480
  178    H    TYR  25           HN       TYR  25  -2.615  -0.109  -0.109
  179    HA   TYR  25           HA       TYR  25   0.059   0.455   0.455
  180   1HB   TYR  25          2HB       TYR  25  -2.786   1.149   1.149
  181   2HB   TYR  25          3HB       TYR  25  -1.376   1.819   1.819
  182    HD1  TYR  25           HD1      TYR  25  -3.355  -1.267  -1.267
  183    HD2  TYR  25           HD2      TYR  25   0.082   0.419   0.419
  184    HE1  TYR  25           HE1      TYR  25  -3.344  -3.159  -3.159
  185    HE2  TYR  25           HE2      TYR  25   0.062  -1.459  -1.459
  186    HH   TYR  25           HH       TYR  25  -1.353  -3.122  -3.122
  187    H    PHE  26           HN       PHE  26   1.052   2.430   2.430
  188    HA   PHE  26           HA       PHE  26  -0.323   4.541   4.541
  189   1HB   PHE  26          2HB       PHE  26   2.093   2.970   2.970
  190   2HB   PHE  26          3HB       PHE  26   1.514   4.488   4.488
  191    HD1  PHE  26          2HD       PHE  26  -0.939   4.606   4.606
  192    HD2  PHE  26          1HD       PHE  26   0.955   0.876   0.876
  193    HE1  PHE  26          2HE       PHE  26  -2.048   3.609   3.609
  194    HE2  PHE  26          1HE       PHE  26  -0.268  -0.183  -0.183
  195    HZ   PHE  26           HZ       PHE  26  -1.548   1.231   1.231
  196    H    ARG  27           HN       ARG  27   1.477   6.384   6.384
  197    HA   ARG  27           HA       ARG  27   2.158   7.099   7.099
  198   1HB   ARG  27          2HB       ARG  27   1.819   8.546   8.546
  199   2HB   ARG  27          3HB       ARG  27   3.582   8.517   8.517
  200   1HG   ARG  27          2HG       ARG  27   3.143   9.180   9.180
  201   2HG   ARG  27          3HG       ARG  27   1.582   9.659   9.659
  202   1HD   ARG  27          2HD       ARG  27   2.761  11.077  11.077
  203   2HD   ARG  27          3HD       ARG  27   4.286  10.770  10.770
  204    HE   ARG  27           HE       ARG  27   2.080  12.541  12.541
  205   1HH1  ARG  27          2HH2      ARG  27   4.623  10.561  10.561
  206   2HH1  ARG  27          1HH2      ARG  27   4.817  11.551  11.551
  207   1HH2  ARG  27          2HH1      ARG  27   2.259  13.882  13.882
  208   2HH2  ARG  27          1HH1      ARG  27   3.323  13.359  13.359
  209    H    ASN  28           HN       ASN  28   3.914   6.943   6.943
  210    HA   ASN  28           HA       ASN  28   6.551   6.122   6.122
  211   1HB   ASN  28          2HB       ASN  28   7.296   5.738   5.738
  212   2HB   ASN  28          3HB       ASN  28   5.629   5.206   5.206
  213   1HD2  ASN  28          2HD2      ASN  28   5.324   8.724   8.724
  214   2HD2  ASN  28          1HD2      ASN  28   4.878   8.323   8.323
  215    H    GLY  29           HN       GLY  29   8.397   7.671   7.671
  216   1HA   GLY  29          1HA       GLY  29   7.414  10.503  10.503
  217   2HA   GLY  29          2HA       GLY  29   8.892  10.032  10.032
  218    H    LYS  30           HN       LYS  30   7.430   9.087   9.087
  219    HA   LYS  30           HA       LYS  30   9.795  10.227  10.227
  220   1HB   LYS  30          2HB       LYS  30   8.990   7.312   7.312
  221   2HB   LYS  30          3HB       LYS  30  10.196   8.248   8.248
  222   1HG   LYS  30          2HG       LYS  30  11.354   8.534   8.534
  223   2HG   LYS  30          3HG       LYS  30  10.249   7.267   7.267
  224   1HD   LYS  30          2HD       LYS  30  12.132   6.011   6.011
  225   2HD   LYS  30          3HD       LYS  30  11.060   5.890   5.890
  226   1HE   LYS  30          2HE       LYS  30  13.190   6.341   6.341
  227   2HE   LYS  30          3HE       LYS  30  12.369   7.894   7.894
  228   1HZ   LYS  30          2HZ       LYS  30  13.586   8.520   8.520
  229   2HZ   LYS  30          3HZ       LYS  30  14.329   7.081   7.081
  230   3HZ   LYS  30          1HZ       LYS  30  14.614   8.147   8.147
  231    H    GLY  31           HN       GLY  31   6.948   8.163   8.163
  232   1HA   GLY  31          1HA       GLY  31   5.243   9.858   9.858
  233   2HA   GLY  31          2HA       GLY  31   6.400   9.292   9.292
  234    H    GLY  32           HN       GLY  32   4.271   8.173   8.173
  235   1HA   GLY  32          1HA       GLY  32   2.815   6.263   6.263
  236   2HA   GLY  32          2HA       GLY  32   4.238   5.431   5.431
  237    H    CYS  33           HN       CYS  33   2.759   4.271   4.271
  238    HA   CYS  33           HA       CYS  33   2.684   5.601   5.601
  239   1HB   CYS  33          2HB       CYS  33   0.428   3.990   3.990
  240   2HB   CYS  33          3HB       CYS  33   0.892   3.717   3.717
  241    H    ASP  34           HN       ASP  34   3.449   4.068   4.068
  242    HA   ASP  34           HA       ASP  34   5.113   1.871   1.871
  243   1HB   ASP  34          2HB       ASP  34   5.940   3.653   3.653
  244   2HB   ASP  34          3HB       ASP  34   4.868   2.870   2.870
  245    H    SER  35           HN       SER  35   4.832  -0.078  -0.078
  246    HA   SER  35           HA       SER  35   2.131  -0.384  -0.384
  247   1HB   SER  35          2HB       SER  35   2.030  -1.003  -1.003
  248   2HB   SER  35          3HB       SER  35   3.167  -2.306  -2.306
  249    HG   SER  35           HG       SER  35   0.751  -2.039  -2.039
  250    H    PHE  36           HN       PHE  36   2.029  -2.236  -2.236
  251    HA   PHE  36           HA       PHE  36   4.557  -3.682  -3.682
  252   1HB   PHE  36          2HB       PHE  36   3.301  -3.008  -3.008
  253   2HB   PHE  36          3HB       PHE  36   4.947  -2.896  -2.896
  254    HD1  PHE  36          1HD       PHE  36   5.817  -0.654  -0.654
  255    HD2  PHE  36          2HD       PHE  36   1.760  -1.094  -1.094
  256    HE1  PHE  36          1HE       PHE  36   6.110   1.249   1.249
  257    HE2  PHE  36          2HE       PHE  36   2.075   0.666   0.666
  258    HZ   PHE  36           HZ       PHE  36   4.339   1.734   1.734
  259    H    TRP  37           HN       TRP  37   4.296  -5.514  -5.514
  260    HA   TRP  37           HA       TRP  37   1.668  -6.733  -6.733
  261   1HB   TRP  37          2HB       TRP  37   4.442  -7.616  -7.616
  262   2HB   TRP  37          3HB       TRP  37   2.988  -8.622  -8.622
  263    HD1  TRP  37           HD1      TRP  37   5.830  -7.162  -7.162
  264    HE1  TRP  37           HE1      TRP  37   5.647  -7.631  -7.631
  265    HE3  TRP  37           HE3      TRP  37   1.120  -9.110  -9.110
  266    HZ2  TRP  37           HZ2      TRP  37   3.554  -8.549  -8.549
  267    HZ3  TRP  37           HZ3      TRP  37  -0.017  -9.550  -9.550
  268    HH2  TRP  37           HH2      TRP  37   1.195  -9.375  -9.375
  269    H    ILE  38           HN       ILE  38   0.629  -6.338  -6.338
  270    HA   ILE  38           HA       ILE  38   1.640  -4.193  -4.193
  271    HB   ILE  38           HB       ILE  38  -0.435  -6.336  -6.336
  272   1HG1  ILE  38          2HG1      ILE  38  -0.600  -3.665  -3.665
  273   2HG1  ILE  38          3HG1      ILE  38  -1.103  -5.148  -5.148
  274   1HG2  ILE  38          2HG2      ILE  38   0.057  -3.633  -3.633
  275   2HG2  ILE  38          3HG2      ILE  38  -1.288  -4.748  -4.748
  276   3HG2  ILE  38          1HG2      ILE  38   0.355  -5.226  -5.226
  277   1HD1  ILE  38          3HD1      ILE  38  -2.982  -5.098  -5.098
  278   2HD1  ILE  38          1HD1      ILE  38  -2.398  -3.481  -3.481
  279   3HD1  ILE  38          2HD1      ILE  38  -2.945  -3.734  -3.734
  280    H    CYS  39           HN       CYS  39   1.954  -7.580  -7.580
  281    HA   CYS  39           HA       CYS  39   3.612  -8.823  -8.823
  282   1HB   CYS  39          2HB       CYS  39   4.360  -6.428  -6.428
  283   2HB   CYS  39          3HB       CYS  39   4.851  -8.013  -8.013
  284    HA   PRO  40           HA       PRO  40   0.648 -10.457 -10.457
  285   1HB   PRO  40          2HB       PRO  40   1.990 -12.252 -12.252
  286   2HB   PRO  40          3HB       PRO  40   1.740 -12.481 -12.481
  287   1HG   PRO  40          2HG       PRO  40   4.191 -11.364 -11.364
  288   2HG   PRO  40          3HG       PRO  40   4.125 -12.646 -12.646
  289   1HD   PRO  40          2HD       PRO  40   4.680 -10.114 -10.114
  290   2HD   PRO  40          3HD       PRO  40   3.611 -11.064 -11.064
  291    H    GLU  41           HN       GLU  41   3.510  -9.010  -9.010
  292    HA   GLU  41           HA       GLU  41   2.715  -8.697  -8.697
  293   1HB   GLU  41          2HB       GLU  41   4.937  -8.240  -8.240
  294   2HB   GLU  41          3HB       GLU  41   4.309  -6.955  -6.955
  295   1HG   GLU  41          2HG       GLU  41   5.455  -6.003  -6.003
  296   2HG   GLU  41          3HG       GLU  41   3.731  -5.646  -5.646
  297    H    ASP  42           HN       ASP  42   2.465  -6.160  -6.160
  298    HA   ASP  42           HA       ASP  42   0.893  -4.540  -4.540
  299   1HB   ASP  42          2HB       ASP  42   2.765  -3.955  -3.955
  300   2HB   ASP  42          3HB       ASP  42   1.530  -3.908  -3.908
  301    H    HIS  43           HN       HIS  43  -0.888  -6.257  -6.257
  302    HA   HIS  43           HA       HIS  43  -2.703  -6.332  -6.332
  303   1HB   HIS  43          2HB       HIS  43  -2.586  -7.685  -7.685
  304   2HB   HIS  43          3HB       HIS  43  -4.156  -7.499  -7.499
  305    HD1  HIS  43           HD1      HIS  43  -4.774  -9.696  -9.696
  306    HD2  HIS  43           HD2      HIS  43  -0.959  -8.235  -8.235
  307    HE1  HIS  43           HE1      HIS  43  -3.888 -11.193 -11.193
  308    H    THR  44           HN       THR  44  -2.613  -4.073  -4.073
  309    HA   THR  44           HA       THR  44  -5.072  -2.985  -2.985
  310    HB   THR  44           HB       THR  44  -3.246  -1.471  -1.471
  311    HG1  THR  44          1HG       THR  44  -5.397  -0.768  -0.768
  312   1HG2  THR  44          2HG2      THR  44  -3.024  -1.890  -1.890
  313   2HG2  THR  44          3HG2      THR  44  -2.298  -0.513  -0.513
  314   3HG2  THR  44          1HG2      THR  44  -1.792  -2.154  -2.154
  315    H    GLY  45           HN       GLY  45  -4.670  -5.246  -5.246
  316   1HA   GLY  45          1HA       GLY  45  -6.193  -6.233  -6.233
  317   2HA   GLY  45          2HA       GLY  45  -7.326  -5.136  -5.136
  318    H    ALA  46           HN       ALA  46  -4.826  -3.999  -3.999
  319    HA   ALA  46           HA       ALA  46  -4.993  -2.662  -2.662
  320   1HB   ALA  46          1HB       ALA  46  -4.730  -5.002  -5.002
  321   2HB   ALA  46          2HB       ALA  46  -6.454  -4.975  -4.975
  322   3HB   ALA  46          3HB       ALA  46  -5.347  -3.814  -3.814
  323    H    ASP  47           HN       ASP  47  -6.424  -1.067  -1.067
  324    HA   ASP  47           HA       ASP  47  -9.193  -0.874  -0.874
  325   1HB   ASP  47          2HB       ASP  47  -8.632  -0.075  -0.075
  326   2HB   ASP  47          3HB       ASP  47  -7.359   0.975   0.975
  327    H    TYR  48           HN       TYR  48  -6.215  -0.513  -0.513
  328    HA   TYR  48           HA       TYR  48  -6.265   2.212   2.212
  329   1HB   TYR  48          2HB       TYR  48  -4.412  -0.102  -0.102
  330   2HB   TYR  48          3HB       TYR  48  -3.960   1.592   1.592
  331    HD1  TYR  48           HD2      TYR  48  -4.440   2.998   2.998
  332    HD2  TYR  48           HD1      TYR  48  -3.671  -1.218  -1.218
  333    HE1  TYR  48           HE2      TYR  48  -3.982   2.908   2.908
  334    HE2  TYR  48           HE1      TYR  48  -3.795  -1.365  -1.365
  335    HH   TYR  48           HH       TYR  48  -4.345  -0.077  -0.077
  336    H    TYR  49           HN       TYR  49  -5.093   2.383   2.383
  337    HA   TYR  49           HA       TYR  49  -7.174   2.105   2.105
  338   1HB   TYR  49          2HB       TYR  49  -4.197   2.561   2.561
  339   2HB   TYR  49          3HB       TYR  49  -5.435   2.851   2.851
  340    HD1  TYR  49           HD1      TYR  49  -7.397   4.486   4.486
  341    HD2  TYR  49           HD2      TYR  49  -3.546   4.323   4.323
  342    HE1  TYR  49           HE1      TYR  49  -7.735   6.760   6.760
  343    HE2  TYR  49           HE2      TYR  49  -3.951   6.572   6.572
  344    HH   TYR  49           HH       TYR  49  -6.879   8.452   8.452
  345    H    SER  50           HN       SER  50  -7.806   0.125   0.125
  346    HA   SER  50           HA       SER  50  -5.939  -2.104  -2.104
  347   1HB   SER  50          2HB       SER  50  -7.941  -3.421  -3.421
  348   2HB   SER  50          3HB       SER  50  -8.144  -2.431  -2.431
  349    HG   SER  50           HG       SER  50  -9.918  -1.885  -1.885
  350    H    SER  51           HN       SER  51  -6.273   0.302   0.302
  351    HA   SER  51           HA       SER  51  -5.046  -1.513  -1.513
  352   1HB   SER  51          2HB       SER  51  -6.283  -0.461  -0.461
  353   2HB   SER  51          3HB       SER  51  -7.345  -1.362  -1.362
  354    HG   SER  51           HG       SER  51  -8.025   0.569   0.569
  355    H    TYR  52           HN       TYR  52  -3.706  -0.578  -0.578
  356    HA   TYR  52           HA       TYR  52  -2.036   1.520   1.520
  357   1HB   TYR  52          2HB       TYR  52  -1.318  -0.163  -0.163
  358   2HB   TYR  52          3HB       TYR  52  -2.466   0.475   0.475
  359    HD1  TYR  52           HD2      TYR  52   0.597   1.318   1.318
  360    HD2  TYR  52           HD1      TYR  52  -1.974   2.466   2.466
  361    HE1  TYR  52           HE2      TYR  52   2.438   2.654   2.654
  362    HE2  TYR  52           HE1      TYR  52  -0.184   3.925   3.925
  363    HH   TYR  52           HH       TYR  52   3.171   3.792   3.792
  364    H    ARG  53           HN       ARG  53  -4.627   1.527   1.527
  365    HA   ARG  53           HA       ARG  53  -4.251   4.259   4.259
  366   1HB   ARG  53          2HB       ARG  53  -5.696   2.532   2.532
  367   2HB   ARG  53          3HB       ARG  53  -7.006   3.067   3.067
  368   1HG   ARG  53          2HG       ARG  53  -6.149   5.499   5.499
  369   2HG   ARG  53          3HG       ARG  53  -5.324   4.679   4.679
  370   1HD   ARG  53          2HD       ARG  53  -8.302   4.777   4.777
  371   2HD   ARG  53          3HD       ARG  53  -7.502   5.602   5.602
  372    HE   ARG  53           HE       ARG  53  -8.405   2.846   2.846
  373   1HH1  ARG  53          2HH2      ARG  53  -5.951   4.884   4.884
  374   2HH1  ARG  53          1HH2      ARG  53  -6.251   4.158   4.158
  375   1HH2  ARG  53          2HH1      ARG  53  -8.400   1.640   1.640
  376   2HH2  ARG  53          1HH1      ARG  53  -7.518   2.233   2.233
  377    H    ASP  54           HN       ASP  54  -6.428   2.699   2.699
  378    HA   ASP  54           HA       ASP  54  -7.585   5.148   5.148
  379   1HB   ASP  54          2HB       ASP  54  -7.175   2.486   2.486
  380   2HB   ASP  54          3HB       ASP  54  -7.456   3.883   3.883
  381    H    CYS  55           HN       CYS  55  -4.657   3.530   3.530
  382    HA   CYS  55           HA       CYS  55  -4.126   5.584   5.584
  383   1HB   CYS  55          2HB       CYS  55  -3.009   3.470   3.470
  384   2HB   CYS  55          3HB       CYS  55  -2.188   3.761   3.761
  385    H    PHE  56           HN       PHE  56  -2.850   5.188   5.188
  386    HA   PHE  56           HA       PHE  56  -1.289   7.531   7.531
  387   1HB   PHE  56          2HB       PHE  56  -1.653   5.580   5.580
  388   2HB   PHE  56          3HB       PHE  56  -3.144   6.375   6.375
  389    HD1  PHE  56          2HD       PHE  56  -2.968   8.828   8.828
  390    HD2  PHE  56          1HD       PHE  56   0.416   6.182   6.182
  391    HE1  PHE  56          2HE       PHE  56  -1.626  10.321  10.321
  392    HE2  PHE  56          1HE       PHE  56   1.748   7.682   7.682
  393    HZ   PHE  56           HZ       PHE  56   0.742   9.772   9.772
  394    H    ASN  57           HN       ASN  57  -4.820   7.151   7.151
  395    HA   ASN  57           HA       ASN  57  -4.984   9.915   9.915
  396   1HB   ASN  57          2HB       ASN  57  -7.144   7.866   7.866
  397   2HB   ASN  57          3HB       ASN  57  -7.494   9.511   9.511
  398   1HD2  ASN  57          2HD2      ASN  57  -7.690   7.611   7.611
  399   2HD2  ASN  57          1HD2      ASN  57  -8.616   7.767   7.767
  400    H    ALA  58           HN       ALA  58  -5.416   8.199   8.199
  401    HA   ALA  58           HA       ALA  58  -6.605  10.520  10.520
  402   1HB   ALA  58          3HB       ALA  58  -7.191   8.181   8.181
  403   2HB   ALA  58          1HB       ALA  58  -5.508   7.925   7.925
  404   3HB   ALA  58          2HB       ALA  58  -6.543   9.111   9.111
  405    H    CYS  59           HN       CYS  59  -3.379   9.420   9.420
  406    HA   CYS  59           HA       CYS  59  -2.200  11.018  11.018
  407   1HB   CYS  59          2HB       CYS  59  -1.168   8.836   8.836
  408   2HB   CYS  59          3HB       CYS  59  -0.100   9.918   9.918
  409    H    ILE  60           HN       ILE  60  -2.341  10.835  10.835
  410    HA   ILE  60           HA       ILE  60  -0.186  12.859  12.859
  411    HB   ILE  60           HB       ILE  60  -1.125  10.707  10.707
  412   1HG1  ILE  60          2HG1      ILE  60  -0.231   9.504   9.504
  413   2HG1  ILE  60          3HG1      ILE  60   0.890   9.458   9.458
  414   1HG2  ILE  60          1HG2      ILE  60   1.272  12.575  12.575
  415   2HG2  ILE  60          2HG2      ILE  60   1.082  11.189  11.189
  416   3HG2  ILE  60          3HG2      ILE  60  -0.032  12.545  12.545
  417   1HD1  ILE  60          3HD1      ILE  60   2.302  11.180  11.180
  418   2HD1  ILE  60          1HD1      ILE  60   1.151  11.205  11.205
  419   3HD1  ILE  60          2HD1      ILE  60   2.061   9.731   9.731

  Start of MODEL   11
    1    H    TYR   1           HN       TYR   1  -7.311  14.906  14.906
    2    HA   TYR   1           HA       TYR   1  -8.922  13.134  13.134
    3   1HB   TYR   1          2HB       TYR   1  -9.711  13.001  13.001
    4   2HB   TYR   1          3HB       TYR   1  -9.310  14.639  14.639
    5    HD1  TYR   1           HD1      TYR   1  -7.094  15.666  15.666
    6    HD2  TYR   1           HD2      TYR   1  -8.768  12.075  12.075
    7    HE1  TYR   1           HE1      TYR   1  -5.372  15.687  15.687
    8    HE2  TYR   1           HE2      TYR   1  -7.109  12.155  12.155
    9    HH   TYR   1           HH       TYR   1  -5.317  13.500  13.500
   10    H    ASN   2           HN       ASN   2  -7.569  11.505  11.505
   11    HA   ASN   2           HA       ASN   2  -6.427   9.548   9.548
   12   1HB   ASN   2          2HB       ASN   2  -8.807   8.979   8.979
   13   2HB   ASN   2          3HB       ASN   2  -8.388   8.645   8.645
   14   1HD2  ASN   2          2HD2      ASN   2  -8.191   5.450   5.450
   15   2HD2  ASN   2          1HD2      ASN   2  -9.438   6.659   6.659
   16    H    ARG   3           HN       ARG   3  -4.350  10.244  10.244
   17    HA   ARG   3           HA       ARG   3  -3.653  10.131  10.131
   18   1HB   ARG   3          2HB       ARG   3  -2.540  11.455  11.455
   19   2HB   ARG   3          3HB       ARG   3  -1.891   9.956   9.956
   20   1HG   ARG   3          2HG       ARG   3  -0.655   9.531   9.531
   21   2HG   ARG   3          3HG       ARG   3  -1.350  10.991  10.991
   22   1HD   ARG   3          2HD       ARG   3  -0.158  12.447  12.447
   23   2HD   ARG   3          3HD       ARG   3   0.124  11.126  11.126
   24    HE   ARG   3           HE       ARG   3   1.756  10.149  10.149
   25   1HH1  ARG   3          2HH2      ARG   3   0.674  13.170  13.170
   26   2HH1  ARG   3          1HH2      ARG   3   2.246  13.470  13.470
   27   1HH2  ARG   3          2HH1      ARG   3   3.826  10.773  10.773
   28   2HH2  ARG   3          1HH1      ARG   3   4.065  11.902  11.902
   29    H    LEU   4           HN       LEU   4  -4.700   8.050   8.050
   30    HA   LEU   4           HA       LEU   4  -3.177   5.632   5.632
   31   1HB   LEU   4          2HB       LEU   4  -5.422   6.113   6.113
   32   2HB   LEU   4          3HB       LEU   4  -4.752   4.551   4.551
   33    HG   LEU   4           HG       LEU   4  -6.195   6.333   6.333
   34   1HD1  LEU   4          1HD1      LEU   4  -7.665   5.431   5.431
   35   2HD1  LEU   4          2HD1      LEU   4  -7.107   3.786   3.786
   36   3HD1  LEU   4          3HD1      LEU   4  -8.018   4.721   4.721
   37   1HD2  LEU   4          1HD2      LEU   4  -5.165   3.459   3.459
   38   2HD2  LEU   4          2HD2      LEU   4  -4.594   4.863   4.863
   39   3HD2  LEU   4          3HD2      LEU   4  -6.233   4.259   4.259
   40    H    CYS   5           HN       CYS   5  -3.900   7.640   7.640
   41    HA   CYS   5           HA       CYS   5  -2.543   6.242   6.242
   42   1HB   CYS   5          2HB       CYS   5  -3.839   8.135   8.135
   43   2HB   CYS   5          3HB       CYS   5  -2.966   9.243   9.243
   44    H    ILE   6           HN       ILE   6  -1.203   8.878   8.878
   45    HA   ILE   6           HA       ILE   6   1.376   8.516   8.516
   46    HB   ILE   6           HB       ILE   6   0.618  10.725  10.725
   47   1HG1  ILE   6          2HG1      ILE   6   0.318  10.672  10.672
   48   2HG1  ILE   6          3HG1      ILE   6  -1.029  10.568  10.568
   49   1HG2  ILE   6          3HG2      ILE   6   3.061  10.262  10.262
   50   2HG2  ILE   6          1HG2      ILE   6   2.675  10.416  10.416
   51   3HG2  ILE   6          2HG2      ILE   6   2.530  11.823  11.823
   52   1HD1  ILE   6          1HD1      ILE   6  -0.546  12.701  12.701
   53   2HD1  ILE   6          2HD1      ILE   6   0.785  12.953  12.953
   54   3HD1  ILE   6          3HD1      ILE   6  -0.888  12.794  12.794
   55    H    LYS   7           HN       LYS   7   2.286   6.785   6.785
   56    HA   LYS   7           HA       LYS   7   2.386   6.444   6.444
   57   1HB   LYS   7          2HB       LYS   7   1.984   4.695   4.695
   58   2HB   LYS   7          3HB       LYS   7   3.725   4.565   4.565
   59   1HG   LYS   7          2HG       LYS   7   2.446   2.810   2.810
   60   2HG   LYS   7          3HG       LYS   7   3.691   3.558   3.558
   61   1HD   LYS   7          2HD       LYS   7   1.735   4.914   4.914
   62   2HD   LYS   7          3HD       LYS   7   0.656   3.988   3.988
   63   1HE   LYS   7          2HE       LYS   7   1.542   1.903   1.903
   64   2HE   LYS   7          3HE       LYS   7   2.675   2.756   2.756
   65   1HZ   LYS   7          3HZ       LYS   7  -0.060   3.684   3.684
   66   2HZ   LYS   7          1HZ       LYS   7   0.156   2.158   2.158
   67   3HZ   LYS   7          2HZ       LYS   7   1.032   3.401   3.401
   68    HA   PRO   8           HA       PRO   8   7.003   7.486   7.486
   69   1HB   PRO   8          2HB       PRO   8   7.687   6.513   6.513
   70   2HB   PRO   8          3HB       PRO   8   6.439   7.745   7.745
   71   1HG   PRO   8          2HG       PRO   8   5.897   4.773   4.773
   72   2HG   PRO   8          3HG       PRO   8   5.397   6.012   6.012
   73   1HD   PRO   8          2HD       PRO   8   3.822   5.289   5.289
   74   2HD   PRO   8          3HD       PRO   8   3.873   6.993   6.993
   75    H    ARG   9           HN       ARG   9   8.399   5.521   5.521
   76    HA   ARG   9           HA       ARG   9   8.491   3.051   3.051
   77   1HB   ARG   9          2HB       ARG   9  10.532   5.317   5.317
   78   2HB   ARG   9          3HB       ARG   9  10.934   3.682   3.682
   79   1HG   ARG   9          2HG       ARG   9   9.513   3.819   3.819
   80   2HG   ARG   9          3HG       ARG   9   8.914   5.423   5.423
   81   1HD   ARG   9          2HD       ARG   9  11.857   4.818   4.818
   82   2HD   ARG   9          3HD       ARG   9  10.784   5.392   5.392
   83    HE   ARG   9           HE       ARG   9  10.410   7.468   7.468
   84   1HH1  ARG   9          2HH2      ARG   9  13.380   5.870   5.870
   85   2HH1  ARG   9          1HH2      ARG   9  13.414   6.639   6.639
   86   1HH2  ARG   9          2HH1      ARG   9  10.790   8.905   8.905
   87   2HH2  ARG   9          1HH1      ARG   9  12.200   8.572   8.572
   88    H    ASP  10           HN       ASP  10   7.997   2.241   2.241
   89    HA   ASP  10           HA       ASP  10   9.996   2.275   2.275
   90   1HB   ASP  10          2HB       ASP  10   7.440   3.896   3.896
   91   2HB   ASP  10          3HB       ASP  10   8.155   3.057   3.057
   92    H    TRP  11           HN       TRP  11   6.549   1.672   1.672
   93    HA   TRP  11           HA       TRP  11   6.323  -0.090  -0.090
   94   1HB   TRP  11          2HB       TRP  11   4.057  -0.388  -0.388
   95   2HB   TRP  11          3HB       TRP  11   4.467   1.272   1.272
   96    HD1  TRP  11           HD1      TRP  11   6.004  -0.037  -0.037
   97    HE1  TRP  11           HE1      TRP  11   4.729  -0.940  -0.940
   98    HE3  TRP  11           HE3      TRP  11   1.396   0.083   0.083
   99    HZ2  TRP  11           HZ2      TRP  11   1.939  -1.362  -1.362
  100    HZ3  TRP  11           HZ3      TRP  11  -0.620  -0.654  -0.654
  101    HH2  TRP  11           HH2      TRP  11  -0.297  -1.084  -1.084
  102    H    ILE  12           HN       ILE  12   8.427  -1.487  -1.487
  103    HA   ILE  12           HA       ILE  12   9.091  -3.433  -3.433
  104    HB   ILE  12           HB       ILE  12   6.822  -4.070  -4.070
  105   1HG1  ILE  12          2HG1      ILE  12   8.447  -4.238  -4.238
  106   2HG1  ILE  12          3HG1      ILE  12   9.799  -4.273  -4.273
  107   1HG2  ILE  12          1HG2      ILE  12   8.876  -5.926  -5.926
  108   2HG2  ILE  12          2HG2      ILE  12   8.123  -6.213  -6.213
  109   3HG2  ILE  12          3HG2      ILE  12   7.115  -6.138  -6.138
  110   1HD1  ILE  12          3HD1      ILE  12   8.232  -1.788  -1.788
  111   2HD1  ILE  12          1HD1      ILE  12   9.685  -2.335  -2.335
  112   3HD1  ILE  12          2HD1      ILE  12   9.802  -1.954  -1.954
  113    H    ASP  13           HN       ASP  13   8.626  -2.823  -2.823
  114    HA   ASP  13           HA       ASP  13   6.265  -3.924  -3.924
  115   1HB   ASP  13          2HB       ASP  13   6.989  -2.314  -2.314
  116   2HB   ASP  13          3HB       ASP  13   6.662  -1.548  -1.548
  117    H    GLU  14           HN       GLU  14   8.760  -5.432  -5.432
  118    HA   GLU  14           HA       GLU  14  10.259  -6.021  -6.021
  119   1HB   GLU  14          2HB       GLU  14  11.222  -7.793  -7.793
  120   2HB   GLU  14          3HB       GLU  14  11.253  -6.224  -6.224
  121   1HG   GLU  14          2HG       GLU  14   9.230  -6.878  -6.878
  122   2HG   GLU  14          3HG       GLU  14   9.270  -8.477  -8.477
  123    H    CYS  15           HN       CYS  15   7.429  -7.394  -7.394
  124    HA   CYS  15           HA       CYS  15   7.450 -10.021 -10.021
  125   1HB   CYS  15          2HB       CYS  15   5.202  -8.234  -8.234
  126   2HB   CYS  15          3HB       CYS  15   4.974  -9.892  -9.892
  127    H    ASP  16           HN       ASP  16   5.767 -10.920 -10.920
  128    HA   ASP  16           HA       ASP  16   5.021  -9.135  -9.135
  129   1HB   ASP  16          2HB       ASP  16   7.499  -9.456  -9.456
  130   2HB   ASP  16          3HB       ASP  16   7.228 -11.196 -11.196
  131    H    SER  17           HN       SER  17   4.518 -10.630 -10.630
  132    HA   SER  17           HA       SER  17   2.038 -11.376 -11.376
  133   1HB   SER  17          2HB       SER  17   2.077 -12.832 -12.832
  134   2HB   SER  17          3HB       SER  17   2.130 -11.095 -11.095
  135    HG   SER  17           HG       SER  17   4.477 -12.707 -12.707
  136    H    ASN  18           HN       ASN  18   0.836 -13.017 -13.017
  137    HA   ASN  18           HA       ASN  18   0.131 -14.587 -14.587
  138   1HB   ASN  18          2HB       ASN  18   0.648 -16.049 -16.049
  139   2HB   ASN  18          3HB       ASN  18   2.237 -16.390 -16.390
  140   1HD2  ASN  18          2HD2      ASN  18  -1.021 -17.763 -17.763
  141   2HD2  ASN  18          1HD2      ASN  18  -1.154 -16.213 -16.213
  142    H    GLU  19           HN       GLU  19   3.435 -13.703 -13.703
  143    HA   GLU  19           HA       GLU  19   3.803 -15.178 -15.178
  144   1HB   GLU  19          2HB       GLU  19   5.531 -14.043 -14.043
  145   2HB   GLU  19          3HB       GLU  19   6.027 -13.576 -13.576
  146   1HG   GLU  19          2HG       GLU  19   5.533 -16.506 -16.506
  147   2HG   GLU  19          3HG       GLU  19   7.085 -15.709 -15.709
  148    H    GLY  20           HN       GLY  20   1.875 -13.754 -13.754
  149   1HA   GLY  20          1HA       GLY  20   2.384 -12.402 -12.402
  150   2HA   GLY  20          2HA       GLY  20   2.898 -11.098 -11.098
  151    H    GLY  21           HN       GLY  21   1.432  -9.511  -9.511
  152   1HA   GLY  21          1HA       GLY  21  -1.244  -9.864  -9.864
  153   2HA   GLY  21          2HA       GLY  21  -0.461  -8.395  -8.395
  154    H    GLU  22           HN       GLU  22  -1.912  -7.621  -7.621
  155    HA   GLU  22           HA       GLU  22  -2.267  -9.262  -9.262
  156   1HB   GLU  22          2HB       GLU  22  -4.404  -7.782  -7.782
  157   2HB   GLU  22          3HB       GLU  22  -4.245  -7.313  -7.313
  158   1HG   GLU  22          2HG       GLU  22  -4.688 -10.157 -10.157
  159   2HG   GLU  22          3HG       GLU  22  -5.830  -9.131  -9.131
  160    H    ARG  23           HN       ARG  23  -2.679  -7.681  -7.681
  161    HA   ARG  23           HA       ARG  23  -0.248  -5.970  -5.970
  162   1HB   ARG  23          2HB       ARG  23  -1.813  -7.523  -7.523
  163   2HB   ARG  23          3HB       ARG  23  -1.379  -5.887  -5.887
  164   1HG   ARG  23          2HG       ARG  23   0.329  -6.794  -6.794
  165   2HG   ARG  23          3HG       ARG  23   1.054  -6.581  -6.581
  166   1HD   ARG  23          2HD       ARG  23   1.521  -8.877  -8.877
  167   2HD   ARG  23          3HD       ARG  23  -0.117  -9.329  -9.329
  168    HE   ARG  23           HE       ARG  23   2.047  -8.675  -8.675
  169   1HH1  ARG  23          2HH2      ARG  23  -1.502  -9.486  -9.486
  170   2HH1  ARG  23          1HH2      ARG  23  -1.479 -10.035 -10.035
  171   1HH2  ARG  23          2HH1      ARG  23   1.902  -9.728  -9.728
  172   2HH2  ARG  23          1HH1      ARG  23   0.285 -10.105 -10.105
  173    H    ALA  24           HN       ALA  24  -0.326  -3.727  -3.727
  174    HA   ALA  24           HA       ALA  24  -2.965  -2.371  -2.371
  175   1HB   ALA  24          2HB       ALA  24  -0.993  -2.496  -2.496
  176   2HB   ALA  24          3HB       ALA  24  -2.125  -1.159  -1.159
  177   3HB   ALA  24          1HB       ALA  24  -2.729  -2.797  -2.797
  178    H    TYR  25           HN       TYR  25  -2.767  -0.186  -0.186
  179    HA   TYR  25           HA       TYR  25  -0.122   0.454   0.454
  180   1HB   TYR  25          2HB       TYR  25  -2.980   0.905   0.905
  181   2HB   TYR  25          3HB       TYR  25  -1.613   1.612   1.612
  182    HD1  TYR  25           HD2      TYR  25   0.093   0.078   0.078
  183    HD2  TYR  25           HD1      TYR  25  -3.449  -1.507  -1.507
  184    HE1  TYR  25           HE2      TYR  25   0.318  -2.014  -2.014
  185    HE2  TYR  25           HE1      TYR  25  -3.187  -3.603  -3.603
  186    HH   TYR  25           HH       TYR  25  -2.168  -4.578  -4.578
  187    H    PHE  26           HN       PHE  26   0.789   2.426   2.426
  188    HA   PHE  26           HA       PHE  26  -0.591   4.406   4.406
  189   1HB   PHE  26          2HB       PHE  26   2.267   3.322   3.322
  190   2HB   PHE  26          3HB       PHE  26   1.565   4.577   4.577
  191    HD1  PHE  26          1HD       PHE  26   1.320   0.978   0.978
  192    HD2  PHE  26          2HD       PHE  26   0.113   3.998   3.998
  193    HE1  PHE  26          1HE       PHE  26   0.077  -0.671  -0.671
  194    HE2  PHE  26          2HE       PHE  26  -0.264   2.179   2.179
  195    HZ   PHE  26           HZ       PHE  26  -0.741  -0.112  -0.112
  196    H    ARG  27           HN       ARG  27   0.394   6.572   6.572
  197    HA   ARG  27           HA       ARG  27   1.722   6.979   6.979
  198   1HB   ARG  27          2HB       ARG  27   0.031   8.533   8.533
  199   2HB   ARG  27          3HB       ARG  27   0.983   8.886   8.886
  200   1HG   ARG  27          2HG       ARG  27   2.704   9.407   9.407
  201   2HG   ARG  27          3HG       ARG  27   1.109   9.951   9.951
  202   1HD   ARG  27          2HD       ARG  27   0.875  11.516  11.516
  203   2HD   ARG  27          3HD       ARG  27   2.201  10.749  10.749
  204    HE   ARG  27           HE       ARG  27   3.807  11.749  11.749
  205   1HH1  ARG  27          2HH2      ARG  27   0.696  12.455  12.455
  206   2HH1  ARG  27          1HH2      ARG  27   1.444  13.717  13.717
  207   1HH2  ARG  27          2HH1      ARG  27   4.661  13.142  13.142
  208   2HH2  ARG  27          1HH1      ARG  27   3.867  13.584  13.584
  209    H    ASN  28           HN       ASN  28   3.882   7.097   7.097
  210    HA   ASN  28           HA       ASN  28   5.655   6.801   6.801
  211   1HB   ASN  28          2HB       ASN  28   7.437   6.791   6.791
  212   2HB   ASN  28          3HB       ASN  28   6.157   5.791   5.791
  213   1HD2  ASN  28          2HD2      ASN  28   7.550   7.531   7.531
  214   2HD2  ASN  28          1HD2      ASN  28   7.663   6.101   6.101
  215    H    GLY  29           HN       GLY  29   7.702   8.629   8.629
  216   1HA   GLY  29          1HA       GLY  29   6.800  10.998  10.998
  217   2HA   GLY  29          2HA       GLY  29   8.279  10.825  10.825
  218    H    LYS  30           HN       LYS  30   7.669  10.517  10.517
  219    HA   LYS  30           HA       LYS  30   5.965  12.607  12.607
  220   1HB   LYS  30          2HB       LYS  30   8.868  13.310  13.310
  221   2HB   LYS  30          3HB       LYS  30   7.736  14.216  14.216
  222   1HG   LYS  30          2HG       LYS  30   6.258  14.407  14.407
  223   2HG   LYS  30          3HG       LYS  30   7.727  14.011  14.011
  224   1HD   LYS  30          2HD       LYS  30   7.247  16.356  16.356
  225   2HD   LYS  30          3HD       LYS  30   7.229  16.408  16.408
  226   1HE   LYS  30          2HE       LYS  30   9.309  17.285  17.285
  227   2HE   LYS  30          3HE       LYS  30   9.641  15.709  15.709
  228   1HZ   LYS  30          2HZ       LYS  30   9.459  16.099  16.099
  229   2HZ   LYS  30          3HZ       LYS  30  10.854  16.276  16.276
  230   3HZ   LYS  30          1HZ       LYS  30  10.148  14.834  14.834
  231    H    GLY  31           HN       GLY  31   6.036  10.176  10.176
  232   1HA   GLY  31          1HA       GLY  31   6.994  10.767  10.767
  233   2HA   GLY  31          2HA       GLY  31   7.749   9.361   9.361
  234    H    GLY  32           HN       GLY  32   5.472   8.458   8.458
  235   1HA   GLY  32          1HA       GLY  32   3.291   7.911   7.911
  236   2HA   GLY  32          2HA       GLY  32   4.555   6.674   6.674
  237    H    CYS  33           HN       CYS  33   2.571   5.380   5.380
  238    HA   CYS  33           HA       CYS  33   2.479   5.555   5.555
  239   1HB   CYS  33          2HB       CYS  33   0.706   4.038   4.038
  240   2HB   CYS  33          3HB       CYS  33   0.798   3.683   3.683
  241    H    ASP  34           HN       ASP  34   3.207   3.832   3.832
  242    HA   ASP  34           HA       ASP  34   5.020   1.943   1.943
  243   1HB   ASP  34          2HB       ASP  34   5.541   3.410   3.410
  244   2HB   ASP  34          3HB       ASP  34   4.982   1.870   1.870
  245    H    SER  35           HN       SER  35   4.656  -0.271  -0.271
  246    HA   SER  35           HA       SER  35   1.868  -0.977  -0.977
  247   1HB   SER  35          2HB       SER  35   3.726  -2.932  -2.932
  248   2HB   SER  35          3HB       SER  35   1.973  -2.905  -2.905
  249    HG   SER  35           HG       SER  35   3.735  -1.510  -1.510
  250    H    PHE  36           HN       PHE  36   1.924  -1.473  -1.473
  251    HA   PHE  36           HA       PHE  36   4.410  -2.729  -2.729
  252   1HB   PHE  36          2HB       PHE  36   1.948  -1.573  -1.573
  253   2HB   PHE  36          3HB       PHE  36   3.269  -2.363  -2.363
  254    HD1  PHE  36          1HD       PHE  36   5.446  -0.827  -0.827
  255    HD2  PHE  36          2HD       PHE  36   2.311   0.371   0.371
  256    HE1  PHE  36          1HE       PHE  36   7.096  -0.066  -0.066
  257    HE2  PHE  36          2HE       PHE  36   3.994   1.409   1.409
  258    HZ   PHE  36           HZ       PHE  36   6.335   0.823   0.823
  259    H    TRP  37           HN       TRP  37   3.945  -4.662  -4.662
  260    HA   TRP  37           HA       TRP  37   1.202  -5.565  -5.565
  261   1HB   TRP  37          2HB       TRP  37   2.381  -6.984  -6.984
  262   2HB   TRP  37          3HB       TRP  37   3.875  -6.892  -6.892
  263    HD1  TRP  37           HD1      TRP  37   4.009  -8.022  -8.022
  264    HE1  TRP  37           HE1      TRP  37   3.317 -10.615 -10.615
  265    HE3  TRP  37           HE3      TRP  37   0.240  -8.154  -8.154
  266    HZ2  TRP  37           HZ2      TRP  37   1.673 -11.787 -11.787
  267    HZ3  TRP  37           HZ3      TRP  37  -1.114 -10.154 -10.154
  268    HH2  TRP  37           HH2      TRP  37  -0.823 -12.205 -12.205
  269    H    ILE  38           HN       ILE  38   0.661  -5.473  -5.473
  270    HA   ILE  38           HA       ILE  38   2.662  -4.375  -4.375
  271    HB   ILE  38           HB       ILE  38  -0.015  -5.692  -5.692
  272   1HG1  ILE  38          2HG1      ILE  38  -0.584  -3.078  -3.078
  273   2HG1  ILE  38          3HG1      ILE  38   0.425  -3.224  -3.224
  274   1HG2  ILE  38          1HG2      ILE  38   1.626  -3.383  -3.383
  275   2HG2  ILE  38          2HG2      ILE  38   0.038  -3.897  -3.897
  276   3HG2  ILE  38          3HG2      ILE  38   1.416  -4.987  -4.987
  277   1HD1  ILE  38          2HD1      ILE  38  -1.998  -4.991  -4.991
  278   2HD1  ILE  38          3HD1      ILE  38  -2.119  -3.397  -3.397
  279   3HD1  ILE  38          1HD1      ILE  38  -1.200  -4.656  -4.656
  280    H    CYS  39           HN       CYS  39   3.399  -5.769  -5.769
  281    HA   CYS  39           HA       CYS  39   3.687  -8.627  -8.627
  282   1HB   CYS  39          2HB       CYS  39   4.902  -6.662  -6.662
  283   2HB   CYS  39          3HB       CYS  39   4.858  -8.323  -8.323
  284    HA   PRO  40           HA       PRO  40   0.470 -10.198 -10.198
  285   1HB   PRO  40          2HB       PRO  40   1.246 -12.586 -12.586
  286   2HB   PRO  40          3HB       PRO  40   1.226 -12.248 -12.248
  287   1HG   PRO  40          2HG       PRO  40   3.577 -12.089 -12.089
  288   2HG   PRO  40          3HG       PRO  40   3.542 -12.899 -12.899
  289   1HD   PRO  40          2HD       PRO  40   4.559 -10.415 -10.415
  290   2HD   PRO  40          3HD       PRO  40   3.676 -10.837 -10.837
  291    H    GLU  41           HN       GLU  41   3.285  -9.965  -9.965
  292    HA   GLU  41           HA       GLU  41   1.769 -10.126 -10.126
  293   1HB   GLU  41          2HB       GLU  41   4.196 -10.242 -10.242
  294   2HB   GLU  41          3HB       GLU  41   4.352  -8.692  -8.692
  295   1HG   GLU  41          2HG       GLU  41   3.440  -7.457  -7.457
  296   2HG   GLU  41          3HG       GLU  41   2.954  -8.926  -8.926
  297    H    ASP  42           HN       ASP  42   2.795  -7.630  -7.630
  298    HA   ASP  42           HA       ASP  42   1.531  -5.431  -5.431
  299   1HB   ASP  42          2HB       ASP  42   2.624  -5.728  -5.728
  300   2HB   ASP  42          3HB       ASP  42   2.516  -4.239  -4.239
  301    H    HIS  43           HN       HIS  43  -0.557  -7.135  -7.135
  302    HA   HIS  43           HA       HIS  43  -2.301  -6.427  -6.427
  303   1HB   HIS  43          2HB       HIS  43  -2.702  -7.905  -7.905
  304   2HB   HIS  43          3HB       HIS  43  -3.986  -7.592  -7.592
  305    HD1  HIS  43           HD1      HIS  43  -3.406 -10.508 -10.508
  306    HD2  HIS  43           HD2      HIS  43  -1.797  -8.445  -8.445
  307    HE1  HIS  43           HE1      HIS  43  -2.854 -12.256 -12.256
  308    H    THR  44           HN       THR  44  -1.618  -4.182  -4.182
  309    HA   THR  44           HA       THR  44  -2.906  -2.960  -2.960
  310    HB   THR  44           HB       THR  44  -1.062  -1.808  -1.808
  311    HG1  THR  44          1HG       THR  44  -2.525  -0.147  -0.147
  312   1HG2  THR  44          1HG2      THR  44  -1.330  -2.276  -2.276
  313   2HG2  THR  44          2HG2      THR  44  -0.144  -1.169  -1.169
  314   3HG2  THR  44          3HG2      THR  44  -0.080  -2.856  -2.856
  315    H    GLY  45           HN       GLY  45  -4.542  -4.442  -4.442
  316   1HA   GLY  45          1HA       GLY  45  -6.680  -4.324  -4.324
  317   2HA   GLY  45          2HA       GLY  45  -6.960  -3.176  -3.176
  318    H    ALA  46           HN       ALA  46  -4.833  -2.974  -2.974
  319    HA   ALA  46           HA       ALA  46  -5.647  -0.161  -0.161
  320   1HB   ALA  46          2HB       ALA  46  -3.566  -0.636  -0.636
  321   2HB   ALA  46          3HB       ALA  46  -2.886  -1.408  -1.408
  322   3HB   ALA  46          1HB       ALA  46  -3.361   0.329   0.329
  323    H    ASP  47           HN       ASP  47  -6.946  -0.648  -0.648
  324    HA   ASP  47           HA       ASP  47  -6.691  -2.734  -2.734
  325   1HB   ASP  47          2HB       ASP  47  -8.802  -1.744  -1.744
  326   2HB   ASP  47          3HB       ASP  47  -8.670  -0.422  -0.422
  327    H    TYR  48           HN       TYR  48  -6.814   0.747   0.747
  328    HA   TYR  48           HA       TYR  48  -5.723   2.136   2.136
  329   1HB   TYR  48          2HB       TYR  48  -4.030  -0.247  -0.247
  330   2HB   TYR  48          3HB       TYR  48  -3.634   1.367   1.367
  331    HD1  TYR  48           HD2      TYR  48  -3.358   3.236   3.236
  332    HD2  TYR  48           HD1      TYR  48  -3.277  -0.942  -0.942
  333    HE1  TYR  48           HE2      TYR  48  -2.370   3.751   3.751
  334    HE2  TYR  48           HE1      TYR  48  -2.203  -0.431  -0.431
  335    HH   TYR  48           HH       TYR  48  -1.583   1.376   1.376
  336    H    TYR  49           HN       TYR  49  -4.795   2.259   2.259
  337    HA   TYR  49           HA       TYR  49  -7.037   1.973   1.973
  338   1HB   TYR  49          2HB       TYR  49  -4.105   2.443   2.443
  339   2HB   TYR  49          3HB       TYR  49  -5.377   2.516   2.516
  340    HD1  TYR  49           HD2      TYR  49  -3.989   4.151   4.151
  341    HD2  TYR  49           HD1      TYR  49  -6.949   4.373   4.373
  342    HE1  TYR  49           HE2      TYR  49  -4.995   6.121   6.121
  343    HE2  TYR  49           HE1      TYR  49  -7.786   6.480   6.480
  344    HH   TYR  49           HH       TYR  49  -8.024   7.409   7.409
  345    H    SER  50           HN       SER  50  -7.655   0.263   0.263
  346    HA   SER  50           HA       SER  50  -6.626  -2.330  -2.330
  347   1HB   SER  50          2HB       SER  50  -8.619  -2.595  -2.595
  348   2HB   SER  50          3HB       SER  50  -8.971  -2.106  -2.106
  349    HG   SER  50           HG       SER  50  -9.887  -0.687  -0.687
  350    H    SER  51           HN       SER  51  -6.407   0.028   0.028
  351    HA   SER  51           HA       SER  51  -4.678  -1.877  -1.877
  352   1HB   SER  51          2HB       SER  51  -5.852  -0.920  -0.920
  353   2HB   SER  51          3HB       SER  51  -6.735  -2.111  -2.111
  354    HG   SER  51           HG       SER  51  -8.023  -0.586  -0.586
  355    H    TYR  52           HN       TYR  52  -3.144  -0.933  -0.933
  356    HA   TYR  52           HA       TYR  52  -1.829   1.360   1.360
  357   1HB   TYR  52          2HB       TYR  52  -0.787  -0.413  -0.413
  358   2HB   TYR  52          3HB       TYR  52  -1.670   0.218   0.218
  359    HD1  TYR  52           HD1      TYR  52  -1.217   2.614   2.614
  360    HD2  TYR  52           HD2      TYR  52   1.323   0.531   0.531
  361    HE1  TYR  52           HE1      TYR  52   0.548   4.309   4.309
  362    HE2  TYR  52           HE2      TYR  52   3.149   2.075   2.075
  363    HH   TYR  52           HH       TYR  52   3.712   4.102   4.102
  364    H    ARG  53           HN       ARG  53  -3.905   1.027   1.027
  365    HA   ARG  53           HA       ARG  53  -3.467   3.684   3.684
  366   1HB   ARG  53          2HB       ARG  53  -4.754   1.571   1.571
  367   2HB   ARG  53          3HB       ARG  53  -6.118   2.619   2.619
  368   1HG   ARG  53          2HG       ARG  53  -5.316   3.250   3.250
  369   2HG   ARG  53          3HG       ARG  53  -4.834   4.533   4.533
  370   1HD   ARG  53          2HD       ARG  53  -2.685   2.646   2.646
  371   2HD   ARG  53          3HD       ARG  53  -3.209   2.695   2.695
  372    HE   ARG  53           HE       ARG  53  -2.999   5.388   5.388
  373   1HH1  ARG  53          2HH2      ARG  53  -0.732   2.626   2.626
  374   2HH1  ARG  53          1HH2      ARG  53   0.620   3.547   3.547
  375   1HH2  ARG  53          2HH1      ARG  53  -1.288   6.578   6.578
  376   2HH2  ARG  53          1HH1      ARG  53   0.264   5.849   5.849
  377    H    ASP  54           HN       ASP  54  -6.105   2.412   2.412
  378    HA   ASP  54           HA       ASP  54  -7.224   5.026   5.026
  379   1HB   ASP  54          2HB       ASP  54  -7.681   2.462   2.462
  380   2HB   ASP  54          3HB       ASP  54  -7.860   3.903   3.903
  381    H    CYS  55           HN       CYS  55  -4.699   3.330   3.330
  382    HA   CYS  55           HA       CYS  55  -4.381   5.454   5.454
  383   1HB   CYS  55          2HB       CYS  55  -3.206   3.358   3.358
  384   2HB   CYS  55          3HB       CYS  55  -2.266   3.645   3.645
  385    H    PHE  56           HN       PHE  56  -2.836   5.052   5.052
  386    HA   PHE  56           HA       PHE  56  -1.259   7.371   7.371
  387   1HB   PHE  56          2HB       PHE  56  -1.197   5.424   5.424
  388   2HB   PHE  56          3HB       PHE  56  -2.612   6.085   6.085
  389    HD1  PHE  56          2HD       PHE  56  -2.466   8.380   8.380
  390    HD2  PHE  56          1HD       PHE  56   1.012   6.368   6.368
  391    HE1  PHE  56          2HE       PHE  56  -1.002   9.954   9.954
  392    HE2  PHE  56          1HE       PHE  56   2.472   7.939   7.939
  393    HZ   PHE  56           HZ       PHE  56   1.464   9.795   9.795
  394    H    ASN  57           HN       ASN  57  -4.531   6.898   6.898
  395    HA   ASN  57           HA       ASN  57  -4.693   9.696   9.696
  396   1HB   ASN  57          2HB       ASN  57  -6.892   7.564   7.564
  397   2HB   ASN  57          3HB       ASN  57  -7.141   9.133   9.133
  398   1HD2  ASN  57          2HD2      ASN  57  -6.609   6.401   6.401
  399   2HD2  ASN  57          1HD2      ASN  57  -7.639   6.538   6.538
  400    H    ALA  58           HN       ALA  58  -5.441   7.909   7.909
  401    HA   ALA  58           HA       ALA  58  -7.322   9.776   9.776
  402   1HB   ALA  58          2HB       ALA  58  -5.530   7.724   7.724
  403   2HB   ALA  58          3HB       ALA  58  -6.775   8.675   8.675
  404   3HB   ALA  58          1HB       ALA  58  -7.241   7.536   7.536
  405    H    CYS  59           HN       CYS  59  -3.786   9.362   9.362
  406    HA   CYS  59           HA       CYS  59  -3.508  11.753  11.753
  407   1HB   CYS  59          2HB       CYS  59  -3.766   9.357   9.357
  408   2HB   CYS  59          3HB       CYS  59  -2.167   9.071   9.071
  409    H    ILE  60           HN       ILE  60  -2.433  10.743  10.743
  410    HA   ILE  60           HA       ILE  60   0.202  12.095  12.095
  411    HB   ILE  60           HB       ILE  60  -0.571  10.043  10.043
  412   1HG1  ILE  60          2HG1      ILE  60  -0.009   9.158   9.158
  413   2HG1  ILE  60          3HG1      ILE  60   0.875   8.508   8.508
  414   1HG2  ILE  60          2HG2      ILE  60   1.951  11.705  11.705
  415   2HG2  ILE  60          3HG2      ILE  60   1.880  10.228  10.228
  416   3HG2  ILE  60          1HG2      ILE  60   0.877  11.613  11.613
  417   1HD1  ILE  60          1HD1      ILE  60   1.955  10.744  10.744
  418   2HD1  ILE  60          2HD1      ILE  60   2.315   9.020   9.020
  419   3HD1  ILE  60          3HD1      ILE  60   2.838   9.864   9.864

  Start of MODEL   12
    1    H    TYR   1           HN       TYR   1   0.790  10.550  10.550
    2    HA   TYR   1           HA       TYR   1  -1.254  11.181  11.181
    3   1HB   TYR   1          2HB       TYR   1  -1.583  10.792  10.792
    4   2HB   TYR   1          3HB       TYR   1  -2.667  11.742  11.742
    5    HD1  TYR   1           HD1      TYR   1  -1.939  13.910  13.910
    6    HD2  TYR   1           HD2      TYR   1   0.399  11.769  11.769
    7    HE1  TYR   1           HE1      TYR   1  -1.015  16.036  16.036
    8    HE2  TYR   1           HE2      TYR   1   1.308  13.909  13.909
    9    HH   TYR   1           HH       TYR   1   1.533  16.292  16.292
   10    H    ASN   2           HN       ASN   2  -3.698  10.667  10.667
   11    HA   ASN   2           HA       ASN   2  -4.326   7.853   7.853
   12   1HB   ASN   2          2HB       ASN   2  -6.638   8.452   8.452
   13   2HB   ASN   2          3HB       ASN   2  -5.701   9.520   9.520
   14   1HD2  ASN   2          2HD2      ASN   2  -7.871  11.081  11.081
   15   2HD2  ASN   2          1HD2      ASN   2  -7.723   9.333   9.333
   16    H    ARG   3           HN       ARG   3  -3.946  10.119  10.119
   17    HA   ARG   3           HA       ARG   3  -5.335   8.725   8.725
   18   1HB   ARG   3          2HB       ARG   3  -4.367  11.064  11.064
   19   2HB   ARG   3          3HB       ARG   3  -2.784  10.296  10.296
   20   1HG   ARG   3          2HG       ARG   3  -3.477  10.841  10.841
   21   2HG   ARG   3          3HG       ARG   3  -3.615   9.087   9.087
   22   1HD   ARG   3          2HD       ARG   3  -5.733   9.271   9.271
   23   2HD   ARG   3          3HD       ARG   3  -6.147  10.034  10.034
   24    HE   ARG   3           HE       ARG   3  -6.417  12.027  12.027
   25   1HH1  ARG   3          2HH2      ARG   3  -4.642  10.201  10.201
   26   2HH1  ARG   3          1HH2      ARG   3  -5.306  11.038  11.038
   27   1HH2  ARG   3          2HH1      ARG   3  -7.269  13.203  13.203
   28   2HH2  ARG   3          1HH1      ARG   3  -7.121  12.524  12.524
   29    H    LEU   4           HN       LEU   4  -5.109   6.428   6.428
   30    HA   LEU   4           HA       LEU   4  -2.992   4.958   4.958
   31   1HB   LEU   4          2HB       LEU   4  -5.288   4.507   4.507
   32   2HB   LEU   4          3HB       LEU   4  -3.955   3.464   3.464
   33    HG   LEU   4           HG       LEU   4  -4.946   3.762   3.762
   34   1HD1  LEU   4          1HD1      LEU   4  -6.837   3.007   3.007
   35   2HD1  LEU   4          2HD1      LEU   4  -5.821   1.666   1.666
   36   3HD1  LEU   4          3HD1      LEU   4  -6.292   1.739   1.739
   37   1HD2  LEU   4          2HD2      LEU   4  -2.704   2.533   2.533
   38   2HD2  LEU   4          3HD2      LEU   4  -3.904   1.583   1.583
   39   3HD2  LEU   4          1HD2      LEU   4  -3.691   1.307   1.307
   40    H    CYS   5           HN       CYS   5  -3.646   5.799   5.799
   41    HA   CYS   5           HA       CYS   5  -1.630   4.762   4.762
   42   1HB   CYS   5          2HB       CYS   5  -3.259   6.081   6.081
   43   2HB   CYS   5          3HB       CYS   5  -2.926   7.491   7.491
   44    H    ILE   6           HN       ILE   6  -1.342   7.510   7.510
   45    HA   ILE   6           HA       ILE   6   1.431   8.039   8.039
   46    HB   ILE   6           HB       ILE   6  -0.337   9.627   9.627
   47   1HG1  ILE   6          2HG1      ILE   6   0.160   9.892   9.892
   48   2HG1  ILE   6          3HG1      ILE   6  -1.372   9.555   9.555
   49   1HG2  ILE   6          2HG2      ILE   6   2.323  10.019  10.019
   50   2HG2  ILE   6          3HG2      ILE   6   1.604  11.265  11.265
   51   3HG2  ILE   6          1HG2      ILE   6   2.214   9.769   9.769
   52   1HD1  ILE   6          3HD1      ILE   6  -1.273  11.698  11.698
   53   2HD1  ILE   6          1HD1      ILE   6   0.155  12.138  12.138
   54   3HD1  ILE   6          2HD1      ILE   6  -1.401  11.808  11.808
   55    H    LYS   7           HN       LYS   7   2.283   6.282   6.282
   56    HA   LYS   7           HA       LYS   7   1.800   4.793   4.793
   57   1HB   LYS   7          2HB       LYS   7   2.940   3.872   3.872
   58   2HB   LYS   7          3HB       LYS   7   4.265   4.966   4.966
   59   1HG   LYS   7          2HG       LYS   7   4.166   3.555   3.555
   60   2HG   LYS   7          3HG       LYS   7   3.564   2.369   2.369
   61   1HD   LYS   7          2HD       LYS   7   5.567   2.980   2.980
   62   2HD   LYS   7          3HD       LYS   7   6.162   3.996   3.996
   63   1HE   LYS   7          2HE       LYS   7   6.447   2.052   2.052
   64   2HE   LYS   7          3HE       LYS   7   5.670   0.983   0.983
   65   1HZ   LYS   7          1HZ       LYS   7   7.868   2.406   2.406
   66   2HZ   LYS   7          2HZ       LYS   7   8.333   1.434   1.434
   67   3HZ   LYS   7          3HZ       LYS   7   7.524   0.823   0.823
   68    HA   PRO   8           HA       PRO   8   4.412   7.843   7.843
   69   1HB   PRO   8          2HB       PRO   8   3.015   8.179   8.179
   70   2HB   PRO   8          3HB       PRO   8   2.347   8.704   8.704
   71   1HG   PRO   8          2HG       PRO   8   1.689   6.186   6.186
   72   2HG   PRO   8          3HG       PRO   8   0.554   7.241   7.241
   73   1HD   PRO   8          2HD       PRO   8   1.780   4.904   4.904
   74   2HD   PRO   8          3HD       PRO   8   0.873   6.077   6.077
   75    H    ARG   9           HN       ARG   9   5.150   5.365   5.365
   76    HA   ARG   9           HA       ARG   9   6.657   3.828   3.828
   77   1HB   ARG   9          2HB       ARG   9   7.482   6.070   6.070
   78   2HB   ARG   9          3HB       ARG   9   6.956   5.220   5.220
   79   1HG   ARG   9          2HG       ARG   9   9.263   4.815   4.815
   80   2HG   ARG   9          3HG       ARG   9   8.441   3.302   3.302
   81   1HD   ARG   9          2HD       ARG   9   9.579   3.282   3.282
   82   2HD   ARG   9          3HD       ARG   9   8.690   4.717   4.717
   83    HE   ARG   9           HE       ARG   9  10.522   6.066   6.066
   84   1HH1  ARG   9          2HH2      ARG   9  11.117   3.118   3.118
   85   2HH1  ARG   9          1HH2      ARG   9  12.803   3.047   3.047
   86   1HH2  ARG   9          2HH1      ARG   9  12.627   6.399   6.399
   87   2HH2  ARG   9          1HH1      ARG   9  13.717   5.258   5.258
   88    H    ASP  10           HN       ASP  10   3.692   3.918   3.918
   89    HA   ASP  10           HA       ASP  10   3.801   2.335   2.335
   90   1HB   ASP  10          2HB       ASP  10   2.387   4.369   4.369
   91   2HB   ASP  10          3HB       ASP  10   1.548   3.590   3.590
   92    H    TRP  11           HN       TRP  11   4.953   0.976   0.976
   93    HA   TRP  11           HA       TRP  11   3.558  -1.326  -1.326
   94   1HB   TRP  11          2HB       TRP  11   2.702   0.291   0.291
   95   2HB   TRP  11          3HB       TRP  11   4.225   0.764   0.764
   96    HD1  TRP  11           HD1      TRP  11   5.037  -2.537  -2.537
   97    HE1  TRP  11           HE1      TRP  11   3.996  -3.486  -3.486
   98    HE3  TRP  11           HE3      TRP  11   0.923   0.352   0.352
   99    HZ2  TRP  11           HZ2      TRP  11   1.587  -3.074  -3.074
  100    HZ3  TRP  11           HZ3      TRP  11  -1.084  -0.581  -0.581
  101    HH2  TRP  11           HH2      TRP  11  -0.710  -2.103  -2.103
  102    H    ILE  12           HN       ILE  12   5.983  -0.903  -0.903
  103    HA   ILE  12           HA       ILE  12   8.248  -1.081  -1.081
  104    HB   ILE  12           HB       ILE  12   7.656  -2.571  -2.571
  105   1HG1  ILE  12          2HG1      ILE  12   9.455  -0.276  -0.276
  106   2HG1  ILE  12          3HG1      ILE  12   8.066  -0.035  -0.035
  107   1HG2  ILE  12          2HG2      ILE  12  10.295  -2.737  -2.737
  108   2HG2  ILE  12          3HG2      ILE  12  10.099  -3.274  -3.274
  109   3HG2  ILE  12          1HG2      ILE  12   9.212  -4.074  -4.074
  110   1HD1  ILE  12          3HD1      ILE  12   9.088  -1.450  -1.450
  111   2HD1  ILE  12          1HD1      ILE  12  10.630  -1.248  -1.248
  112   3HD1  ILE  12          2HD1      ILE  12   9.737   0.180   0.180
  113    H    ASP  13           HN       ASP  13   7.856  -1.758  -1.758
  114    HA   ASP  13           HA       ASP  13   6.346  -4.119  -4.119
  115   1HB   ASP  13          2HB       ASP  13   7.087  -3.356  -3.356
  116   2HB   ASP  13          3HB       ASP  13   6.109  -2.253  -2.253
  117    H    GLU  14           HN       GLU  14   8.171  -5.218  -5.218
  118    HA   GLU  14           HA       GLU  14  10.541  -5.987  -5.987
  119   1HB   GLU  14          2HB       GLU  14  11.147  -7.291  -7.291
  120   2HB   GLU  14          3HB       GLU  14  10.859  -5.581  -5.581
  121   1HG   GLU  14          2HG       GLU  14   8.545  -6.297  -6.297
  122   2HG   GLU  14          3HG       GLU  14   9.167  -7.955  -7.955
  123    H    CYS  15           HN       CYS  15   7.537  -7.619  -7.619
  124    HA   CYS  15           HA       CYS  15   8.279 -10.161 -10.161
  125   1HB   CYS  15          2HB       CYS  15   5.550  -8.928  -8.928
  126   2HB   CYS  15          3HB       CYS  15   5.748 -10.554 -10.554
  127    H    ASP  16           HN       ASP  16   7.330 -11.453 -11.453
  128    HA   ASP  16           HA       ASP  16   7.231 -10.173 -10.173
  129   1HB   ASP  16          2HB       ASP  16   7.071 -13.098 -13.098
  130   2HB   ASP  16          3HB       ASP  16   7.222 -12.504 -12.504
  131    H    SER  17           HN       SER  17   5.455 -11.534 -11.534
  132    HA   SER  17           HA       SER  17   2.875 -10.765 -10.765
  133   1HB   SER  17          2HB       SER  17   3.493 -11.085 -11.085
  134   2HB   SER  17          3HB       SER  17   3.509 -12.819 -12.819
  135    HG   SER  17           HG       SER  17   1.258 -11.251 -11.251
  136    H    ASN  18           HN       ASN  18   1.345 -11.769 -11.769
  137    HA   ASN  18           HA       ASN  18   0.049 -13.356 -13.356
  138   1HB   ASN  18          2HB       ASN  18   0.884 -14.614 -14.614
  139   2HB   ASN  18          3HB       ASN  18   1.768 -15.629 -15.629
  140   1HD2  ASN  18          2HD2      ASN  18  -1.307 -17.026 -17.026
  141   2HD2  ASN  18          1HD2      ASN  18   0.275 -16.460 -16.460
  142    H    GLU  19           HN       GLU  19   3.154 -12.767 -12.767
  143    HA   GLU  19           HA       GLU  19   3.304 -14.799 -14.799
  144   1HB   GLU  19          2HB       GLU  19   5.010 -12.705 -12.705
  145   2HB   GLU  19          3HB       GLU  19   5.044 -12.667 -12.667
  146   1HG   GLU  19          2HG       GLU  19   5.648 -15.086 -15.086
  147   2HG   GLU  19          3HG       GLU  19   6.830 -14.072 -14.072
  148    H    GLY  20           HN       GLY  20   1.076 -14.350 -14.350
  149   1HA   GLY  20          1HA       GLY  20  -0.643 -13.274 -13.274
  150   2HA   GLY  20          2HA       GLY  20   0.614 -12.816 -12.816
  151    H    GLY  21           HN       GLY  21   0.148 -11.905 -11.905
  152   1HA   GLY  21          1HA       GLY  21  -0.404  -9.080  -9.080
  153   2HA   GLY  21          2HA       GLY  21   1.187  -9.428  -9.428
  154    H    GLU  22           HN       GLU  22  -1.758  -8.526  -8.526
  155    HA   GLU  22           HA       GLU  22  -1.971  -9.693  -9.693
  156   1HB   GLU  22          2HB       GLU  22  -3.887  -8.789  -8.789
  157   2HB   GLU  22          3HB       GLU  22  -3.804  -7.461  -7.461
  158   1HG   GLU  22          2HG       GLU  22  -4.086 -10.333 -10.333
  159   2HG   GLU  22          3HG       GLU  22  -5.458  -9.507  -9.507
  160    H    ARG  23           HN       ARG  23  -2.389  -7.717  -7.717
  161    HA   ARG  23           HA       ARG  23   0.047  -6.049  -6.049
  162   1HB   ARG  23          2HB       ARG  23  -0.912  -7.428  -7.428
  163   2HB   ARG  23          3HB       ARG  23  -1.561  -5.818  -5.818
  164   1HG   ARG  23          2HG       ARG  23   0.686  -4.839  -4.839
  165   2HG   ARG  23          3HG       ARG  23   1.378  -6.393  -6.393
  166   1HD   ARG  23          2HD       ARG  23   0.969  -5.103  -5.103
  167   2HD   ARG  23          3HD       ARG  23   1.800  -6.586  -6.586
  168    HE   ARG  23           HE       ARG  23  -1.197  -6.515  -6.515
  169   1HH1  ARG  23          2HH2      ARG  23   1.872  -7.516  -7.516
  170   2HH1  ARG  23          1HH2      ARG  23   1.195  -8.964  -8.964
  171   1HH2  ARG  23          2HH1      ARG  23  -1.870  -8.680  -8.680
  172   2HH2  ARG  23          1HH1      ARG  23  -0.945  -9.686  -9.686
  173    H    ALA  24           HN       ALA  24  -0.128  -3.727  -3.727
  174    HA   ALA  24           HA       ALA  24  -2.766  -2.511  -2.511
  175   1HB   ALA  24          2HB       ALA  24  -2.388  -2.654  -2.654
  176   2HB   ALA  24          3HB       ALA  24  -0.916  -1.700  -1.700
  177   3HB   ALA  24          1HB       ALA  24  -2.485  -0.992  -0.992
  178    H    TYR  25           HN       TYR  25  -2.409  -0.083  -0.083
  179    HA   TYR  25           HA       TYR  25   0.111   0.503   0.503
  180   1HB   TYR  25          2HB       TYR  25  -2.802   1.100   1.100
  181   2HB   TYR  25          3HB       TYR  25  -1.451   1.772   1.772
  182    HD1  TYR  25           HD2      TYR  25   0.323  -0.111  -0.111
  183    HD2  TYR  25           HD1      TYR  25  -3.740  -0.978  -0.978
  184    HE1  TYR  25           HE2      TYR  25   0.479  -2.328  -2.328
  185    HE2  TYR  25           HE1      TYR  25  -3.538  -3.226  -3.226
  186    HH   TYR  25           HH       TYR  25  -2.000  -4.799  -4.799
  187    H    PHE  26           HN       PHE  26   1.088   2.270   2.270
  188    HA   PHE  26           HA       PHE  26  -0.351   4.249   4.249
  189   1HB   PHE  26          2HB       PHE  26   1.874   2.379   2.379
  190   2HB   PHE  26          3HB       PHE  26   1.807   3.992   3.992
  191    HD1  PHE  26          1HD       PHE  26  -0.718   1.187   1.187
  192    HD2  PHE  26          2HD       PHE  26   0.988   4.108   4.108
  193    HE1  PHE  26          1HE       PHE  26  -2.122   0.370   0.370
  194    HE2  PHE  26          2HE       PHE  26  -0.073   2.939   2.939
  195    HZ   PHE  26           HZ       PHE  26  -1.796   1.240   1.240
  196    H    ARG  27           HN       ARG  27   1.147   6.138   6.138
  197    HA   ARG  27           HA       ARG  27   2.207   7.035   7.035
  198   1HB   ARG  27          2HB       ARG  27   1.160   8.691   8.691
  199   2HB   ARG  27          3HB       ARG  27   1.826   8.118   8.118
  200   1HG   ARG  27          2HG       ARG  27   3.934   9.037   9.037
  201   2HG   ARG  27          3HG       ARG  27   3.517   9.515   9.515
  202   1HD   ARG  27          2HD       ARG  27   2.008  10.559  10.559
  203   2HD   ARG  27          3HD       ARG  27   3.532  11.273  11.273
  204    HE   ARG  27           HE       ARG  27   0.942  11.571  11.571
  205   1HH1  ARG  27          2HH2      ARG  27   4.463  11.916  11.916
  206   2HH1  ARG  27          1HH2      ARG  27   4.306  13.475  13.475
  207   1HH2  ARG  27          2HH1      ARG  27   0.777  13.091  13.091
  208   2HH2  ARG  27          1HH1      ARG  27   2.130  14.131  14.131
  209    H    ASN  28           HN       ASN  28   4.163   6.772   6.772
  210    HA   ASN  28           HA       ASN  28   6.506   5.887   5.887
  211   1HB   ASN  28          2HB       ASN  28   7.646   6.083   6.083
  212   2HB   ASN  28          3HB       ASN  28   6.019   5.707   5.707
  213   1HD2  ASN  28          2HD2      ASN  28   5.685   9.435   9.435
  214   2HD2  ASN  28          1HD2      ASN  28   4.798   8.138   8.138
  215    H    GLY  29           HN       GLY  29   8.524   7.660   7.660
  216   1HA   GLY  29          1HA       GLY  29   8.401  10.062  10.062
  217   2HA   GLY  29          2HA       GLY  29   9.338   9.767   9.767
  218    H    LYS  30           HN       LYS  30   7.980   9.909   9.909
  219    HA   LYS  30           HA       LYS  30   6.041  12.121  12.121
  220   1HB   LYS  30          2HB       LYS  30   8.940  12.424  12.424
  221   2HB   LYS  30          3HB       LYS  30   7.923  13.151  13.151
  222   1HG   LYS  30          2HG       LYS  30   7.276  13.697  13.697
  223   2HG   LYS  30          3HG       LYS  30   8.707  14.434  14.434
  224   1HD   LYS  30          2HD       LYS  30   6.690  15.896  15.896
  225   2HD   LYS  30          3HD       LYS  30   7.500  15.579  15.579
  226   1HE   LYS  30          2HE       LYS  30   5.764  13.826  13.826
  227   2HE   LYS  30          3HE       LYS  30   4.931  14.238  14.238
  228   1HZ   LYS  30          2HZ       LYS  30   4.626  16.449  16.449
  229   2HZ   LYS  30          3HZ       LYS  30   5.371  15.930  15.930
  230   3HZ   LYS  30          1HZ       LYS  30   3.953  15.245  15.245
  231    H    GLY  31           HN       GLY  31   7.941   9.819   9.819
  232   1HA   GLY  31          1HA       GLY  31   6.842  10.427  10.427
  233   2HA   GLY  31          2HA       GLY  31   7.402   8.832   8.832
  234    H    GLY  32           HN       GLY  32   5.669   7.844   7.844
  235   1HA   GLY  32          1HA       GLY  32   2.972   7.910   7.910
  236   2HA   GLY  32          2HA       GLY  32   3.986   6.545   6.545
  237    H    CYS  33           HN       CYS  33   1.938   5.461   5.461
  238    HA   CYS  33           HA       CYS  33   2.384   5.548   5.548
  239   1HB   CYS  33          2HB       CYS  33   0.281   4.111   4.111
  240   2HB   CYS  33          3HB       CYS  33   0.676   3.785   3.785
  241    H    ASP  34           HN       ASP  34   3.484   3.979   3.979
  242    HA   ASP  34           HA       ASP  34   4.826   1.920   1.920
  243   1HB   ASP  34          2HB       ASP  34   5.840   3.468   3.468
  244   2HB   ASP  34          3HB       ASP  34   5.801   1.770   1.770
  245    H    SER  35           HN       SER  35   5.057  -0.182  -0.182
  246    HA   SER  35           HA       SER  35   2.356  -0.845  -0.845
  247   1HB   SER  35          2HB       SER  35   3.722  -2.851  -2.851
  248   2HB   SER  35          3HB       SER  35   1.999  -2.526  -2.526
  249    HG   SER  35           HG       SER  35   3.838  -0.880  -0.880
  250    H    PHE  36           HN       PHE  36   2.411  -2.574  -2.574
  251    HA   PHE  36           HA       PHE  36   4.904  -4.002  -4.002
  252   1HB   PHE  36          2HB       PHE  36   4.650  -3.215  -3.215
  253   2HB   PHE  36          3HB       PHE  36   5.503  -2.258  -2.258
  254    HD1  PHE  36          2HD       PHE  36   1.770  -2.082  -2.082
  255    HD2  PHE  36          1HD       PHE  36   5.547  -0.394  -0.394
  256    HE1  PHE  36          2HE       PHE  36   0.619  -0.312  -0.312
  257    HE2  PHE  36          1HE       PHE  36   4.324   1.270   1.270
  258    HZ   PHE  36           HZ       PHE  36   1.850   1.200   1.200
  259    H    TRP  37           HN       TRP  37   4.623  -5.270  -5.270
  260    HA   TRP  37           HA       TRP  37   1.948  -6.496  -6.496
  261   1HB   TRP  37          2HB       TRP  37   4.686  -7.640  -7.640
  262   2HB   TRP  37          3HB       TRP  37   3.153  -8.508  -8.508
  263    HD1  TRP  37           HD1      TRP  37   6.127  -7.562  -7.562
  264    HE1  TRP  37           HE1      TRP  37   5.806  -8.012  -8.012
  265    HE3  TRP  37           HE3      TRP  37   1.148  -8.618  -8.618
  266    HZ2  TRP  37           HZ2      TRP  37   3.522  -8.583  -8.583
  267    HZ3  TRP  37           HZ3      TRP  37  -0.013  -9.316  -9.316
  268    HH2  TRP  37           HH2      TRP  37   1.204  -9.446  -9.446
  269    H    ILE  38           HN       ILE  38   1.263  -6.841  -6.841
  270    HA   ILE  38           HA       ILE  38   2.176  -4.706  -4.706
  271    HB   ILE  38           HB       ILE  38  -0.013  -6.660  -6.660
  272   1HG1  ILE  38          2HG1      ILE  38   0.142  -4.350  -4.350
  273   2HG1  ILE  38          3HG1      ILE  38  -0.451  -5.914  -5.914
  274   1HG2  ILE  38          3HG2      ILE  38   0.852  -4.891  -4.891
  275   2HG2  ILE  38          1HG2      ILE  38   0.362  -3.664  -3.664
  276   3HG2  ILE  38          2HG2      ILE  38  -0.853  -4.739  -4.739
  277   1HD1  ILE  38          1HD1      ILE  38  -2.458  -5.402  -5.402
  278   2HD1  ILE  38          2HD1      ILE  38  -1.801  -3.738  -3.738
  279   3HD1  ILE  38          3HD1      ILE  38  -2.230  -4.366  -4.366
  280    H    CYS  39           HN       CYS  39   2.603  -8.179  -8.179
  281    HA   CYS  39           HA       CYS  39   3.902  -9.499  -9.499
  282   1HB   CYS  39          2HB       CYS  39   5.321  -7.226  -7.226
  283   2HB   CYS  39          3HB       CYS  39   4.845  -7.320  -7.320
  284    HA   PRO  40           HA       PRO  40   0.921 -10.421 -10.421
  285   1HB   PRO  40          2HB       PRO  40   2.059 -12.157 -12.157
  286   2HB   PRO  40          3HB       PRO  40   1.868 -12.565 -12.565
  287   1HG   PRO  40          2HG       PRO  40   4.349 -11.573 -11.573
  288   2HG   PRO  40          3HG       PRO  40   4.221 -12.904 -12.904
  289   1HD   PRO  40          2HD       PRO  40   4.946 -10.345 -10.345
  290   2HD   PRO  40          3HD       PRO  40   4.154 -11.410 -11.410
  291    H    GLU  41           HN       GLU  41   3.958  -9.074  -9.074
  292    HA   GLU  41           HA       GLU  41   3.682  -8.508  -8.508
  293   1HB   GLU  41          2HB       GLU  41   5.167  -7.503  -7.503
  294   2HB   GLU  41          3HB       GLU  41   4.720  -6.187  -6.187
  295   1HG   GLU  41          2HG       GLU  41   6.138  -8.731  -8.731
  296   2HG   GLU  41          3HG       GLU  41   6.936  -7.202  -7.202
  297    H    ASP  42           HN       ASP  42   2.533  -6.373  -6.373
  298    HA   ASP  42           HA       ASP  42   0.855  -4.893  -4.893
  299   1HB   ASP  42          2HB       ASP  42   2.034  -4.103  -4.103
  300   2HB   ASP  42          3HB       ASP  42   0.810  -3.174  -3.174
  301    H    HIS  43           HN       HIS  43  -1.273  -5.447  -5.447
  302    HA   HIS  43           HA       HIS  43  -2.605  -5.886  -5.886
  303   1HB   HIS  43          2HB       HIS  43  -3.576  -6.196  -6.196
  304   2HB   HIS  43          3HB       HIS  43  -4.504  -6.443  -6.443
  305    HD1  HIS  43           HD1      HIS  43  -4.220  -8.788  -8.788
  306    HD2  HIS  43           HD2      HIS  43  -1.621  -8.108  -8.108
  307    HE1  HIS  43           HE1      HIS  43  -3.093 -11.015 -11.015
  308    H    THR  44           HN       THR  44  -1.824  -3.565  -3.565
  309    HA   THR  44           HA       THR  44  -2.586  -1.662  -1.662
  310    HB   THR  44           HB       THR  44  -0.474  -1.406  -1.406
  311    HG1  THR  44          1HG       THR  44  -1.793   0.458   0.458
  312   1HG2  THR  44          3HG2      THR  44  -1.856  -0.989  -0.989
  313   2HG2  THR  44          1HG2      THR  44  -0.136  -0.745  -0.745
  314   3HG2  THR  44          2HG2      THR  44  -0.819  -2.367  -2.367
  315    H    GLY  45           HN       GLY  45  -4.887  -2.807  -2.807
  316   1HA   GLY  45          1HA       GLY  45  -7.080  -2.240  -2.240
  317   2HA   GLY  45          2HA       GLY  45  -6.553  -0.646  -0.646
  318    H    ALA  46           HN       ALA  46  -4.769  -1.063  -1.063
  319    HA   ALA  46           HA       ALA  46  -4.423  -1.364  -1.364
  320   1HB   ALA  46          2HB       ALA  46  -3.607  -3.483  -3.483
  321   2HB   ALA  46          3HB       ALA  46  -5.154  -4.261  -4.261
  322   3HB   ALA  46          1HB       ALA  46  -4.098  -3.615  -3.615
  323    H    ASP  47           HN       ASP  47  -6.752  -0.264  -0.264
  324    HA   ASP  47           HA       ASP  47  -8.930  -1.291  -1.291
  325   1HB   ASP  47          2HB       ASP  47  -9.512  -0.538  -0.538
  326   2HB   ASP  47          3HB       ASP  47  -8.478   0.890   0.890
  327    H    TYR  48           HN       TYR  48  -6.890  -0.957  -0.957
  328    HA   TYR  48           HA       TYR  48  -6.193   1.879   1.879
  329   1HB   TYR  48          2HB       TYR  48  -4.224   0.798   0.798
  330   2HB   TYR  48          3HB       TYR  48  -4.405   0.412   0.412
  331    HD1  TYR  48           HD2      TYR  48  -5.610  -0.950  -0.950
  332    HD2  TYR  48           HD1      TYR  48  -3.895  -1.785  -1.785
  333    HE1  TYR  48           HE2      TYR  48  -6.115  -3.327  -3.327
  334    HE2  TYR  48           HE1      TYR  48  -4.366  -4.231  -4.231
  335    HH   TYR  48           HH       TYR  48  -5.798  -5.438  -5.438
  336    H    TYR  49           HN       TYR  49  -5.194   1.757   1.757
  337    HA   TYR  49           HA       TYR  49  -7.625   2.053   2.053
  338   1HB   TYR  49          2HB       TYR  49  -4.713   2.785   2.785
  339   2HB   TYR  49          3HB       TYR  49  -5.987   3.089   3.089
  340    HD1  TYR  49           HD1      TYR  49  -7.849   4.712   4.712
  341    HD2  TYR  49           HD2      TYR  49  -4.636   4.017   4.017
  342    HE1  TYR  49           HE1      TYR  49  -8.486   6.743   6.743
  343    HE2  TYR  49           HE2      TYR  49  -5.392   5.979   5.979
  344    HH   TYR  49           HH       TYR  49  -7.745   8.295   8.295
  345    H    SER  50           HN       SER  50  -8.293   0.113   0.113
  346    HA   SER  50           HA       SER  50  -6.514  -2.111  -2.111
  347   1HB   SER  50          2HB       SER  50  -8.687  -3.038  -3.038
  348   2HB   SER  50          3HB       SER  50  -8.610  -2.777  -2.777
  349    HG   SER  50           HG       SER  50  -9.912  -1.129  -1.129
  350    H    SER  51           HN       SER  51  -7.978  -0.032  -0.032
  351    HA   SER  51           HA       SER  51  -6.367  -1.501  -1.501
  352   1HB   SER  51          2HB       SER  51  -7.485   0.147   0.147
  353   2HB   SER  51          3HB       SER  51  -8.491  -1.069  -1.069
  354    HG   SER  51           HG       SER  51  -8.331   1.657   1.657
  355    H    TYR  52           HN       TYR  52  -4.614  -0.617  -0.617
  356    HA   TYR  52           HA       TYR  52  -2.836   1.017   1.017
  357   1HB   TYR  52          2HB       TYR  52  -2.152  -0.549  -0.549
  358   2HB   TYR  52          3HB       TYR  52  -2.983   0.430   0.430
  359    HD1  TYR  52           HD1      TYR  52  -2.084   2.704   2.704
  360    HD2  TYR  52           HD2      TYR  52   0.098  -0.045  -0.045
  361    HE1  TYR  52           HE1      TYR  52  -0.104   4.171   4.171
  362    HE2  TYR  52           HE2      TYR  52   2.024   1.451   1.451
  363    HH   TYR  52           HH       TYR  52   2.703   3.621   3.621
  364    H    ARG  53           HN       ARG  53  -4.800   1.795   1.795
  365    HA   ARG  53           HA       ARG  53  -4.129   4.518   4.518
  366   1HB   ARG  53          2HB       ARG  53  -6.307   4.840   4.840
  367   2HB   ARG  53          3HB       ARG  53  -5.087   3.746   3.746
  368   1HG   ARG  53          2HG       ARG  53  -7.118   2.795   2.795
  369   2HG   ARG  53          3HG       ARG  53  -6.382   1.794   1.794
  370   1HD   ARG  53          2HD       ARG  53  -7.966   2.709   2.709
  371   2HD   ARG  53          3HD       ARG  53  -8.568   3.879   3.879
  372    HE   ARG  53           HE       ARG  53  -8.804   1.312   1.312
  373   1HH1  ARG  53          2HH2      ARG  53 -10.168   2.868   2.868
  374   2HH1  ARG  53          1HH2      ARG  53 -11.761   2.270   2.270
  375   1HH2  ARG  53          2HH1      ARG  53 -10.886   0.462   0.462
  376   2HH2  ARG  53          1HH1      ARG  53 -12.112   0.704   0.704
  377    H    ASP  54           HN       ASP  54  -6.339   2.925   2.925
  378    HA   ASP  54           HA       ASP  54  -7.685   5.383   5.383
  379   1HB   ASP  54          2HB       ASP  54  -7.753   2.618   2.618
  380   2HB   ASP  54          3HB       ASP  54  -7.948   3.909   3.909
  381    H    CYS  55           HN       CYS  55  -4.868   3.599   3.599
  382    HA   CYS  55           HA       CYS  55  -4.360   5.577   5.577
  383   1HB   CYS  55          2HB       CYS  55  -3.216   3.445   3.445
  384   2HB   CYS  55          3HB       CYS  55  -2.420   3.810   3.810
  385    H    PHE  56           HN       PHE  56  -3.252   5.190   5.190
  386    HA   PHE  56           HA       PHE  56  -1.477   7.325   7.325
  387   1HB   PHE  56          2HB       PHE  56  -1.987   5.499   5.499
  388   2HB   PHE  56          3HB       PHE  56  -3.239   6.588   6.588
  389    HD1  PHE  56          2HD       PHE  56  -2.535   8.978   8.978
  390    HD2  PHE  56          1HD       PHE  56   0.316   5.884   5.884
  391    HE1  PHE  56          2HE       PHE  56  -0.718  10.326  10.326
  392    HE2  PHE  56          1HE       PHE  56   2.066   7.114   7.114
  393    HZ   PHE  56           HZ       PHE  56   1.617   9.431   9.431
  394    H    ASN  57           HN       ASN  57  -4.970   7.394   7.394
  395    HA   ASN  57           HA       ASN  57  -4.835  10.305  10.305
  396   1HB   ASN  57          2HB       ASN  57  -7.150   8.329   8.329
  397   2HB   ASN  57          3HB       ASN  57  -7.225  10.060  10.060
  398   1HD2  ASN  57          2HD2      ASN  57  -5.169   7.548   7.548
  399   2HD2  ASN  57          1HD2      ASN  57  -5.981   6.957   6.957
  400    H    ALA  58           HN       ALA  58  -5.216   8.264   8.264
  401    HA   ALA  58           HA       ALA  58  -6.836  10.176  10.176
  402   1HB   ALA  58          2HB       ALA  58  -5.126   7.820   7.820
  403   2HB   ALA  58          3HB       ALA  58  -6.115   8.835   8.835
  404   3HB   ALA  58          1HB       ALA  58  -6.892   7.852   7.852
  405    H    CYS  59           HN       CYS  59  -3.422   9.440   9.440
  406    HA   CYS  59           HA       CYS  59  -2.630  11.444  11.444
  407   1HB   CYS  59          2HB       CYS  59  -1.313   8.843   8.843
  408   2HB   CYS  59          3HB       CYS  59  -0.786   9.954   9.954
  409    H    ILE  60           HN       ILE  60  -1.937  10.527  10.527
  410    HA   ILE  60           HA       ILE  60   0.721  11.873  11.873
  411    HB   ILE  60           HB       ILE  60  -0.421  10.040  10.040
  412   1HG1  ILE  60          2HG1      ILE  60  -0.062   8.851   8.851
  413   2HG1  ILE  60          3HG1      ILE  60   0.945   8.282   8.282
  414   1HG2  ILE  60          2HG2      ILE  60   2.314  11.298  11.298
  415   2HG2  ILE  60          3HG2      ILE  60   2.047   9.845   9.845
  416   3HG2  ILE  60          1HG2      ILE  60   1.244  11.327  11.327
  417   1HD1  ILE  60          2HD1      ILE  60   1.893  10.191  10.191
  418   2HD1  ILE  60          3HD1      ILE  60   2.177   8.450   8.450
  419   3HD1  ILE  60          1HD1      ILE  60   2.896   9.489   9.489

  Start of MODEL   13
    1    H    TYR   1           HN       TYR   1  -3.768   7.630   7.630
    2    HA   TYR   1           HA       TYR   1  -0.992   7.682   7.682
    3   1HB   TYR   1          2HB       TYR   1  -1.601   5.502   5.502
    4   2HB   TYR   1          3HB       TYR   1  -3.282   5.869   5.869
    5    HD1  TYR   1           HD2      TYR   1   0.141   6.517   6.517
    6    HD2  TYR   1           HD1      TYR   1  -3.935   5.220   5.220
    7    HE1  TYR   1           HE2      TYR   1   0.559   6.199   6.199
    8    HE2  TYR   1           HE1      TYR   1  -3.422   4.676   4.676
    9    HH   TYR   1           HH       TYR   1  -0.265   5.313   5.313
   10    H    ASN   2           HN       ASN   2  -0.690   8.476   8.476
   11    HA   ASN   2           HA       ASN   2  -2.246  10.840  10.840
   12   1HB   ASN   2          2HB       ASN   2   0.310  10.504  10.504
   13   2HB   ASN   2          3HB       ASN   2   0.105   9.587   9.587
   14   1HD2  ASN   2          2HD2      ASN   2   1.044  13.142  13.142
   15   2HD2  ASN   2          1HD2      ASN   2   1.744  11.915  11.915
   16    H    ARG   3           HN       ARG   3  -2.243  10.793  10.793
   17    HA   ARG   3           HA       ARG   3  -4.612   9.459   9.459
   18   1HB   ARG   3          2HB       ARG   3  -3.304  11.489  11.489
   19   2HB   ARG   3          3HB       ARG   3  -3.128  10.201  10.201
   20   1HG   ARG   3          2HG       ARG   3  -5.083  11.252  11.252
   21   2HG   ARG   3          3HG       ARG   3  -5.656   9.822   9.822
   22   1HD   ARG   3          2HD       ARG   3  -7.015  11.661  11.661
   23   2HD   ARG   3          3HD       ARG   3  -6.062  11.237  11.237
   24    HE   ARG   3           HE       ARG   3  -4.477  13.148  13.148
   25   1HH1  ARG   3          2HH2      ARG   3  -8.043  13.338  13.338
   26   2HH1  ARG   3          1HH2      ARG   3  -8.018  15.006  15.006
   27   1HH2  ARG   3          2HH1      ARG   3  -4.493  15.305  15.305
   28   2HH2  ARG   3          1HH1      ARG   3  -5.952  16.228  16.228
   29    H    LEU   4           HN       LEU   4  -5.267   7.800   7.800
   30    HA   LEU   4           HA       LEU   4  -3.762   5.401   5.401
   31   1HB   LEU   4          2HB       LEU   4  -5.847   6.202   6.202
   32   2HB   LEU   4          3HB       LEU   4  -5.207   4.575   4.575
   33    HG   LEU   4           HG       LEU   4  -6.769   6.045   6.045
   34   1HD1  LEU   4          3HD1      LEU   4  -8.144   5.355   5.355
   35   2HD1  LEU   4          1HD1      LEU   4  -7.562   3.697   3.697
   36   3HD1  LEU   4          2HD1      LEU   4  -8.580   4.433   4.433
   37   1HD2  LEU   4          1HD2      LEU   4  -5.261   4.373   4.373
   38   2HD2  LEU   4          2HD2      LEU   4  -6.949   3.899   3.899
   39   3HD2  LEU   4          3HD2      LEU   4  -5.923   3.127   3.127
   40    H    CYS   5           HN       CYS   5  -3.539   7.959   7.959
   41    HA   CYS   5           HA       CYS   5  -1.875   6.495   6.495
   42   1HB   CYS   5          2HB       CYS   5  -2.874   8.730   8.730
   43   2HB   CYS   5          3HB       CYS   5  -1.736   9.476   9.476
   44    H    ILE   6           HN       ILE   6  -1.074   7.631   7.631
   45    HA   ILE   6           HA       ILE   6   1.623   8.391   8.391
   46    HB   ILE   6           HB       ILE   6   0.243   8.128   8.128
   47   1HG1  ILE   6          2HG1      ILE   6  -1.135   9.531   9.531
   48   2HG1  ILE   6          3HG1      ILE   6  -0.354  10.439  10.439
   49   1HG2  ILE   6          3HG2      ILE   6   2.719   9.636   9.636
   50   2HG2  ILE   6          1HG2      ILE   6   1.878   9.984   9.984
   51   3HG2  ILE   6          2HG2      ILE   6   2.588   8.391   8.391
   52   1HD1  ILE   6          3HD1      ILE   6   1.239  11.312  11.312
   53   2HD1  ILE   6          1HD1      ILE   6   0.392  10.357  10.357
   54   3HD1  ILE   6          2HD1      ILE   6  -0.462  11.646  11.646
   55    H    LYS   7           HN       LYS   7   3.144   6.854   6.854
   56    HA   LYS   7           HA       LYS   7   3.022   4.354   4.354
   57   1HB   LYS   7          2HB       LYS   7   4.037   4.577   4.577
   58   2HB   LYS   7          3HB       LYS   7   5.365   5.542   5.542
   59   1HG   LYS   7          2HG       LYS   7   4.846   2.852   2.852
   60   2HG   LYS   7          3HG       LYS   7   5.470   2.884   2.884
   61   1HD   LYS   7          2HD       LYS   7   7.442   4.214   4.214
   62   2HD   LYS   7          3HD       LYS   7   6.821   4.327   4.327
   63   1HE   LYS   7          2HE       LYS   7   6.815   1.781   1.781
   64   2HE   LYS   7          3HE       LYS   7   7.712   1.813   1.813
   65   1HZ   LYS   7          3HZ       LYS   7   8.863   3.320   3.320
   66   2HZ   LYS   7          1HZ       LYS   7   8.857   1.700   1.700
   67   3HZ   LYS   7          2HZ       LYS   7   9.561   2.378   2.378
   68    HA   PRO   8           HA       PRO   8   6.580   4.986   4.986
   69   1HB   PRO   8          2HB       PRO   8   7.217   7.549   7.549
   70   2HB   PRO   8          3HB       PRO   8   7.859   6.764   6.764
   71   1HG   PRO   8          2HG       PRO   8   5.644   8.783   8.783
   72   2HG   PRO   8          3HG       PRO   8   6.911   8.612   8.612
   73   1HD   PRO   8          2HD       PRO   8   4.279   7.652   7.652
   74   2HD   PRO   8          3HD       PRO   8   5.645   6.890   6.890
   75    H    ARG   9           HN       ARG   9   5.393   3.902   3.902
   76    HA   ARG   9           HA       ARG   9   4.598   5.368   5.368
   77   1HB   ARG   9          2HB       ARG   9   2.272   4.565   4.565
   78   2HB   ARG   9          3HB       ARG   9   2.628   5.760   5.760
   79   1HG   ARG   9          2HG       ARG   9   2.003   4.430   4.430
   80   2HG   ARG   9          3HG       ARG   9   3.102   3.145   3.145
   81   1HD   ARG   9          2HD       ARG   9   0.550   3.486   3.486
   82   2HD   ARG   9          3HD       ARG   9   0.507   2.741   2.741
   83    HE   ARG   9           HE       ARG   9   2.588   1.525   1.525
   84   1HH1  ARG   9          2HH2      ARG   9  -0.928   1.589   1.589
   85   2HH1  ARG   9          1HH2      ARG   9  -1.103  -0.139  -0.139
   86   1HH2  ARG   9          2HH1      ARG   9   2.437  -0.612  -0.612
   87   2HH2  ARG   9          1HH1      ARG   9   0.901  -1.394  -1.394
   88    H    ASP  10           HN       ASP  10   6.494   3.347   3.347
   89    HA   ASP  10           HA       ASP  10   7.278   1.788   1.788
   90   1HB   ASP  10          2HB       ASP  10   6.176  -0.200  -0.200
   91   2HB   ASP  10          3HB       ASP  10   5.177   1.165   1.165
   92    H    TRP  11           HN       TRP  11   5.189   0.631   0.631
   93    HA   TRP  11           HA       TRP  11   5.955  -1.330  -1.330
   94   1HB   TRP  11          2HB       TRP  11   4.436   0.664   0.664
   95   2HB   TRP  11          3HB       TRP  11   5.636   1.203   1.203
   96    HD1  TRP  11           HD1      TRP  11   6.201  -1.789  -1.789
   97    HE1  TRP  11           HE1      TRP  11   4.358  -2.771  -2.771
   98    HE3  TRP  11           HE3      TRP  11   2.305   0.894   0.894
   99    HZ2  TRP  11           HZ2      TRP  11   1.467  -2.381  -2.381
  100    HZ3  TRP  11           HZ3      TRP  11  -0.062   0.266   0.266
  101    HH2  TRP  11           HH2      TRP  11  -0.433  -1.220  -1.220
  102    H    ILE  12           HN       ILE  12   8.211  -2.243  -2.243
  103    HA   ILE  12           HA       ILE  12  10.314  -0.560  -0.560
  104    HB   ILE  12           HB       ILE  12  10.539  -1.115  -1.115
  105   1HG1  ILE  12          2HG1      ILE  12  11.361  -3.730  -3.730
  106   2HG1  ILE  12          3HG1      ILE  12  12.015  -2.153  -2.153
  107   1HG2  ILE  12          2HG2      ILE  12   9.155  -3.700  -3.700
  108   2HG2  ILE  12          3HG2      ILE  12   9.973  -3.383  -3.383
  109   3HG2  ILE  12          1HG2      ILE  12   8.581  -2.376  -2.376
  110   1HD1  ILE  12          1HD1      ILE  12  12.871  -1.587  -1.587
  111   2HD1  ILE  12          2HD1      ILE  12  12.181  -3.070  -3.070
  112   3HD1  ILE  12          3HD1      ILE  12  13.526  -3.169  -3.169
  113    H    ASP  13           HN       ASP  13   8.353  -1.532  -1.532
  114    HA   ASP  13           HA       ASP  13   7.632  -3.321  -3.321
  115   1HB   ASP  13          2HB       ASP  13   7.956  -1.504  -1.504
  116   2HB   ASP  13          3HB       ASP  13   9.717  -1.553  -1.553
  117    H    GLU  14           HN       GLU  14   8.235  -5.112  -5.112
  118    HA   GLU  14           HA       GLU  14  10.651  -6.566  -6.566
  119   1HB   GLU  14          2HB       GLU  14   8.744  -7.772  -7.772
  120   2HB   GLU  14          3HB       GLU  14  10.443  -7.815  -7.815
  121   1HG   GLU  14          2HG       GLU  14  10.198  -5.182  -5.182
  122   2HG   GLU  14          3HG       GLU  14   8.693  -5.764  -5.764
  123    H    CYS  15           HN       CYS  15   7.166  -7.349  -7.349
  124    HA   CYS  15           HA       CYS  15   7.800 -10.005 -10.005
  125   1HB   CYS  15          2HB       CYS  15   5.103  -8.812  -8.812
  126   2HB   CYS  15          3HB       CYS  15   5.491 -10.513 -10.513
  127    H    ASP  16           HN       ASP  16   6.674 -11.202 -11.202
  128    HA   ASP  16           HA       ASP  16   6.072  -9.659  -9.659
  129   1HB   ASP  16          2HB       ASP  16   7.060 -12.436 -12.436
  130   2HB   ASP  16          3HB       ASP  16   6.324 -12.140 -12.140
  131    H    SER  17           HN       SER  17   4.527 -11.154 -11.154
  132    HA   SER  17           HA       SER  17   1.946 -11.129 -11.129
  133   1HB   SER  17          2HB       SER  17   1.111 -12.164 -12.164
  134   2HB   SER  17          3HB       SER  17   2.273 -10.884 -10.884
  135    HG   SER  17           HG       SER  17   3.852 -12.584 -12.584
  136    H    ASN  18           HN       ASN  18   0.597 -13.188 -13.188
  137    HA   ASN  18           HA       ASN  18   0.238 -15.046 -15.046
  138   1HB   ASN  18          2HB       ASN  18   1.241 -17.120 -17.120
  139   2HB   ASN  18          3HB       ASN  18   0.671 -16.091 -16.091
  140   1HD2  ASN  18          2HD2      ASN  18   4.754 -16.571 -16.571
  141   2HD2  ASN  18          1HD2      ASN  18   3.672 -16.896 -16.896
  142    H    GLU  19           HN       GLU  19   1.781 -13.213 -13.213
  143    HA   GLU  19           HA       GLU  19   3.167 -15.008 -15.008
  144   1HB   GLU  19          2HB       GLU  19   4.699 -13.769 -13.769
  145   2HB   GLU  19          3HB       GLU  19   4.363 -12.341 -12.341
  146   1HG   GLU  19          2HG       GLU  19   5.611 -13.099 -13.099
  147   2HG   GLU  19          3HG       GLU  19   5.464 -14.790 -14.790
  148    H    GLY  20           HN       GLY  20   0.634 -13.126 -13.126
  149   1HA   GLY  20          1HA       GLY  20  -0.617 -12.398 -12.398
  150   2HA   GLY  20          2HA       GLY  20   0.869 -12.064 -12.064
  151    H    GLY  21           HN       GLY  21  -1.615 -10.687 -10.687
  152   1HA   GLY  21          1HA       GLY  21  -1.259  -8.098  -8.098
  153   2HA   GLY  21          2HA       GLY  21  -0.139  -8.275  -8.275
  154    H    GLU  22           HN       GLU  22  -2.061  -6.636  -6.636
  155    HA   GLU  22           HA       GLU  22  -3.659  -8.198  -8.198
  156   1HB   GLU  22          2HB       GLU  22  -4.258  -5.473  -5.473
  157   2HB   GLU  22          3HB       GLU  22  -4.968  -6.043  -6.043
  158   1HG   GLU  22          2HG       GLU  22  -5.284  -7.964  -7.964
  159   2HG   GLU  22          3HG       GLU  22  -6.076  -6.400  -6.400
  160    H    ARG  23           HN       ARG  23  -3.158  -7.415  -7.415
  161    HA   ARG  23           HA       ARG  23  -0.514  -6.006  -6.006
  162   1HB   ARG  23          2HB       ARG  23  -2.211  -7.738  -7.738
  163   2HB   ARG  23          3HB       ARG  23  -1.439  -6.329  -6.329
  164   1HG   ARG  23          2HG       ARG  23   0.196  -7.667  -7.667
  165   2HG   ARG  23          3HG       ARG  23   0.763  -7.222  -7.222
  166   1HD   ARG  23          2HD       ARG  23   1.002  -9.492  -9.492
  167   2HD   ARG  23          3HD       ARG  23  -0.686  -9.659  -9.659
  168    HE   ARG  23           HE       ARG  23   0.712  -9.855  -9.855
  169   1HH1  ARG  23          2HH2      ARG  23  -2.318 -10.579 -10.579
  170   2HH1  ARG  23          1HH2      ARG  23  -2.847 -11.693 -11.693
  171   1HH2  ARG  23          2HH1      ARG  23   0.066 -11.668 -11.668
  172   2HH2  ARG  23          1HH1      ARG  23  -1.604 -12.170 -12.170
  173    H    ALA  24           HN       ALA  24  -0.364  -3.869  -3.869
  174    HA   ALA  24           HA       ALA  24  -2.905  -2.317  -2.317
  175   1HB   ALA  24          1HB       ALA  24  -2.415  -2.779  -2.779
  176   2HB   ALA  24          2HB       ALA  24  -0.776  -2.121  -2.121
  177   3HB   ALA  24          3HB       ALA  24  -2.202  -1.065  -1.065
  178    H    TYR  25           HN       TYR  25  -2.377   0.040   0.040
  179    HA   TYR  25           HA       TYR  25   0.210   0.436   0.436
  180   1HB   TYR  25          2HB       TYR  25  -2.624   1.183   1.183
  181   2HB   TYR  25          3HB       TYR  25  -1.195   1.810   1.810
  182    HD1  TYR  25           HD1      TYR  25  -3.069  -1.304  -1.304
  183    HD2  TYR  25           HD2      TYR  25   0.107   0.396   0.396
  184    HE1  TYR  25           HE1      TYR  25  -2.507  -3.538  -3.538
  185    HE2  TYR  25           HE2      TYR  25   0.442  -1.790  -1.790
  186    HH   TYR  25           HH       TYR  25  -0.547  -4.585  -4.585
  187    H    PHE  26           HN       PHE  26   1.325   2.191   2.191
  188    HA   PHE  26           HA       PHE  26   0.086   4.329   4.329
  189   1HB   PHE  26          2HB       PHE  26   2.478   2.591   2.591
  190   2HB   PHE  26          3HB       PHE  26   2.219   4.197   4.197
  191    HD1  PHE  26          1HD       PHE  26   0.557   0.851   0.851
  192    HD2  PHE  26          2HD       PHE  26   0.734   4.626   4.626
  193    HE1  PHE  26          1HE       PHE  26  -0.705  -0.115  -0.115
  194    HE2  PHE  26          2HE       PHE  26  -0.696   3.689   3.689
  195    HZ   PHE  26           HZ       PHE  26  -1.071   1.254   1.254
  196    H    ARG  27           HN       ARG  27   1.796   6.142   6.142
  197    HA   ARG  27           HA       ARG  27   2.463   6.700   6.700
  198   1HB   ARG  27          2HB       ARG  27   2.111   8.297   8.297
  199   2HB   ARG  27          3HB       ARG  27   3.880   8.304   8.304
  200   1HG   ARG  27          2HG       ARG  27   3.695   8.931   8.931
  201   2HG   ARG  27          3HG       ARG  27   1.927   8.907   8.907
  202   1HD   ARG  27          2HD       ARG  27   2.726  11.199  11.199
  203   2HD   ARG  27          3HD       ARG  27   2.021  10.673  10.673
  204    HE   ARG  27           HE       ARG  27   4.956  10.351  10.351
  205   1HH1  ARG  27          2HH2      ARG  27   2.373  12.680  12.680
  206   2HH1  ARG  27          1HH2      ARG  27   3.229  13.283  13.283
  207   1HH2  ARG  27          2HH1      ARG  27   6.135  11.312  11.312
  208   2HH2  ARG  27          1HH1      ARG  27   5.567  12.598  12.598
  209    H    ASN  28           HN       ASN  28   4.225   6.576   6.576
  210    HA   ASN  28           HA       ASN  28   6.287   4.724   4.724
  211   1HB   ASN  28          2HB       ASN  28   7.029   5.175   5.175
  212   2HB   ASN  28          3HB       ASN  28   5.298   5.450   5.450
  213   1HD2  ASN  28          2HD2      ASN  28   6.395   9.198   9.198
  214   2HD2  ASN  28          1HD2      ASN  28   5.452   8.102   8.102
  215    H    GLY  29           HN       GLY  29   8.638   5.739   5.739
  216   1HA   GLY  29          1HA       GLY  29   9.793   7.493   7.493
  217   2HA   GLY  29          2HA       GLY  29  10.414   7.106   7.106
  218    H    LYS  30           HN       LYS  30   8.557   8.367   8.367
  219    HA   LYS  30           HA       LYS  30   9.410  11.168  11.168
  220   1HB   LYS  30          2HB       LYS  30   9.618   9.712   9.712
  221   2HB   LYS  30          3HB       LYS  30  10.257  11.322  11.322
  222   1HG   LYS  30          2HG       LYS  30  11.507   9.951   9.951
  223   2HG   LYS  30          3HG       LYS  30  11.235   8.583   8.583
  224   1HD   LYS  30          2HD       LYS  30  12.820  11.140  11.140
  225   2HD   LYS  30          3HD       LYS  30  13.412   9.504   9.504
  226   1HE   LYS  30          2HE       LYS  30  12.390  10.962  10.962
  227   2HE   LYS  30          3HE       LYS  30  13.583   9.664   9.664
  228   1HZ   LYS  30          3HZ       LYS  30  11.477   8.180   8.180
  229   2HZ   LYS  30          1HZ       LYS  30  10.698   9.494   9.494
  230   3HZ   LYS  30          2HZ       LYS  30  11.828   8.798   8.798
  231    H    GLY  31           HN       GLY  31   7.251   9.305   9.305
  232   1HA   GLY  31          1HA       GLY  31   5.256  11.474  11.474
  233   2HA   GLY  31          2HA       GLY  31   6.201  11.403  11.403
  234    H    GLY  32           HN       GLY  32   4.886   8.874   8.874
  235   1HA   GLY  32          1HA       GLY  32   2.582   8.373   8.373
  236   2HA   GLY  32          2HA       GLY  32   3.814   7.143   7.143
  237    H    CYS  33           HN       CYS  33   2.000   5.744   5.744
  238    HA   CYS  33           HA       CYS  33   2.596   5.565   5.565
  239   1HB   CYS  33          2HB       CYS  33   0.089   4.653   4.653
  240   2HB   CYS  33          3HB       CYS  33   0.608   4.103   4.103
  241    H    ASP  34           HN       ASP  34   3.415   3.530   3.530
  242    HA   ASP  34           HA       ASP  34   3.945   1.781   1.781
  243   1HB   ASP  34          2HB       ASP  34   6.004   2.919   2.919
  244   2HB   ASP  34          3HB       ASP  34   5.727   1.711   1.711
  245    H    SER  35           HN       SER  35   4.036  -0.555  -0.555
  246    HA   SER  35           HA       SER  35   1.714  -1.165  -1.165
  247   1HB   SER  35          2HB       SER  35   3.418  -3.471  -3.471
  248   2HB   SER  35          3HB       SER  35   1.715  -3.183  -3.183
  249    HG   SER  35           HG       SER  35   3.877  -2.504  -2.504
  250    H    PHE  36           HN       PHE  36   1.776  -2.595  -2.595
  251    HA   PHE  36           HA       PHE  36   4.209  -2.749  -2.749
  252   1HB   PHE  36          2HB       PHE  36   2.050  -0.705  -0.705
  253   2HB   PHE  36          3HB       PHE  36   1.966  -1.774  -1.774
  254    HD1  PHE  36          1HD       PHE  36   5.355  -0.979  -0.979
  255    HD2  PHE  36          2HD       PHE  36   2.291   0.063   0.063
  256    HE1  PHE  36          1HE       PHE  36   7.051  -0.497  -0.497
  257    HE2  PHE  36          2HE       PHE  36   4.007   0.806   0.806
  258    HZ   PHE  36           HZ       PHE  36   6.348   0.110   0.110
  259    H    TRP  37           HN       TRP  37   3.906  -4.270  -4.270
  260    HA   TRP  37           HA       TRP  37   1.186  -5.183  -5.183
  261   1HB   TRP  37          2HB       TRP  37   2.204  -6.758  -6.758
  262   2HB   TRP  37          3HB       TRP  37   3.784  -6.582  -6.582
  263    HD1  TRP  37           HD1      TRP  37   4.208  -7.460  -7.460
  264    HE1  TRP  37           HE1      TRP  37   3.450  -9.887  -9.887
  265    HE3  TRP  37           HE3      TRP  37  -0.039  -7.875  -7.875
  266    HZ2  TRP  37           HZ2      TRP  37   1.480 -11.605 -11.605
  267    HZ3  TRP  37           HZ3      TRP  37  -1.523  -9.775  -9.775
  268    HH2  TRP  37           HH2      TRP  37  -0.890 -11.776 -11.776
  269    H    ILE  38           HN       ILE  38   1.312  -6.211  -6.211
  270    HA   ILE  38           HA       ILE  38   2.673  -4.247  -4.247
  271    HB   ILE  38           HB       ILE  38   0.370  -6.132  -6.132
  272   1HG1  ILE  38          2HG1      ILE  38   0.091  -3.449  -3.449
  273   2HG1  ILE  38          3HG1      ILE  38  -0.206  -4.914  -4.914
  274   1HG2  ILE  38          1HG2      ILE  38   1.506  -4.700  -4.700
  275   2HG2  ILE  38          2HG2      ILE  38   1.070  -3.269  -3.269
  276   3HG2  ILE  38          3HG2      ILE  38  -0.193  -4.300  -4.300
  277   1HD1  ILE  38          2HD1      ILE  38  -2.042  -5.363  -5.363
  278   2HD1  ILE  38          3HD1      ILE  38  -1.765  -3.677  -3.677
  279   3HD1  ILE  38          1HD1      ILE  38  -2.194  -3.996  -3.996
  280    H    CYS  39           HN       CYS  39   1.830  -6.657  -6.657
  281    HA   CYS  39           HA       CYS  39   3.649  -8.720  -8.720
  282   1HB   CYS  39          2HB       CYS  39   4.587  -6.477  -6.477
  283   2HB   CYS  39          3HB       CYS  39   4.745  -8.030  -8.030
  284    HA   PRO  40           HA       PRO  40   0.764 -10.731 -10.731
  285   1HB   PRO  40          2HB       PRO  40   2.153 -12.503 -12.503
  286   2HB   PRO  40          3HB       PRO  40   1.910 -12.729 -12.729
  287   1HG   PRO  40          2HG       PRO  40   4.330 -11.631 -11.631
  288   2HG   PRO  40          3HG       PRO  40   4.262 -12.802 -12.802
  289   1HD   PRO  40          2HD       PRO  40   4.767 -10.170 -10.170
  290   2HD   PRO  40          3HD       PRO  40   3.880 -11.070 -11.070
  291    H    GLU  41           HN       GLU  41   3.551  -9.341  -9.341
  292    HA   GLU  41           HA       GLU  41   2.813  -9.072  -9.072
  293   1HB   GLU  41          2HB       GLU  41   4.936  -8.443  -8.443
  294   2HB   GLU  41          3HB       GLU  41   4.121  -6.962  -6.962
  295   1HG   GLU  41          2HG       GLU  41   5.450  -6.391  -6.391
  296   2HG   GLU  41          3HG       GLU  41   3.809  -6.499  -6.499
  297    H    ASP  42           HN       ASP  42   2.228  -6.520  -6.520
  298    HA   ASP  42           HA       ASP  42   0.346  -5.302  -5.302
  299   1HB   ASP  42          2HB       ASP  42   2.486  -4.197  -4.197
  300   2HB   ASP  42          3HB       ASP  42   1.437  -3.810  -3.810
  301    H    HIS  43           HN       HIS  43  -1.266  -6.866  -6.866
  302    HA   HIS  43           HA       HIS  43  -2.621  -6.724  -6.724
  303   1HB   HIS  43          2HB       HIS  43  -3.007  -8.235  -8.235
  304   2HB   HIS  43          3HB       HIS  43  -4.389  -8.012  -8.012
  305    HD1  HIS  43           HD1      HIS  43  -4.623 -10.466 -10.466
  306    HD2  HIS  43           HD2      HIS  43  -0.908  -8.669  -8.669
  307    HE1  HIS  43           HE1      HIS  43  -3.375 -12.062 -12.062
  308    H    THR  44           HN       THR  44  -2.505  -4.464  -4.464
  309    HA   THR  44           HA       THR  44  -3.845  -2.928  -2.928
  310    HB   THR  44           HB       THR  44  -1.763  -2.508  -2.508
  311    HG1  THR  44          1HG       THR  44  -3.678  -0.461  -0.461
  312   1HG2  THR  44          3HG2      THR  44  -2.393  -3.211  -3.211
  313   2HG2  THR  44          1HG2      THR  44  -3.454  -1.794  -1.794
  314   3HG2  THR  44          2HG2      THR  44  -1.700  -1.592  -1.592
  315    H    GLY  45           HN       GLY  45  -5.749  -4.672  -4.672
  316   1HA   GLY  45          1HA       GLY  45  -7.844  -4.659  -4.659
  317   2HA   GLY  45          2HA       GLY  45  -7.858  -2.887  -2.887
  318    H    ALA  46           HN       ALA  46  -5.692  -2.348  -2.348
  319    HA   ALA  46           HA       ALA  46  -4.914  -2.073  -2.073
  320   1HB   ALA  46          3HB       ALA  46  -3.852  -4.196  -4.196
  321   2HB   ALA  46          1HB       ALA  46  -5.211  -5.089  -5.089
  322   3HB   ALA  46          2HB       ALA  46  -4.234  -4.026  -4.026
  323    H    ASP  47           HN       ASP  47  -7.232  -1.116  -1.116
  324    HA   ASP  47           HA       ASP  47  -8.796  -2.054  -2.054
  325   1HB   ASP  47          2HB       ASP  47  -9.770  -0.604  -0.604
  326   2HB   ASP  47          3HB       ASP  47  -8.672   0.717   0.717
  327    H    TYR  48           HN       TYR  48  -7.105   1.059   1.059
  328    HA   TYR  48           HA       TYR  48  -5.717   2.183   2.183
  329   1HB   TYR  48          2HB       TYR  48  -4.590  -0.621  -0.621
  330   2HB   TYR  48          3HB       TYR  48  -3.759   0.835   0.835
  331    HD1  TYR  48           HD2      TYR  48  -3.967   2.717   2.717
  332    HD2  TYR  48           HD1      TYR  48  -3.321  -1.537  -1.537
  333    HE1  TYR  48           HE2      TYR  48  -3.357   2.868   2.868
  334    HE2  TYR  48           HE1      TYR  48  -2.491  -1.335  -1.335
  335    HH   TYR  48           HH       TYR  48  -3.277   1.574   1.574
  336    H    TYR  49           HN       TYR  49  -4.703   2.282   2.282
  337    HA   TYR  49           HA       TYR  49  -6.933   1.940   1.940
  338   1HB   TYR  49          2HB       TYR  49  -4.025   2.567   2.567
  339   2HB   TYR  49          3HB       TYR  49  -5.316   2.702   2.702
  340    HD1  TYR  49           HD1      TYR  49  -7.299   4.378   4.378
  341    HD2  TYR  49           HD2      TYR  49  -3.319   4.504   4.504
  342    HE1  TYR  49           HE1      TYR  49  -7.653   6.726   6.726
  343    HE2  TYR  49           HE2      TYR  49  -3.649   6.851   6.851
  344    HH   TYR  49           HH       TYR  49  -5.438   8.421   8.421
  345    H    SER  50           HN       SER  50  -7.402  -0.126  -0.126
  346    HA   SER  50           HA       SER  50  -5.405  -2.241  -2.241
  347   1HB   SER  50          2HB       SER  50  -7.257  -3.693  -3.693
  348   2HB   SER  50          3HB       SER  50  -7.622  -2.771  -2.771
  349    HG   SER  50           HG       SER  50  -9.051  -2.861  -2.861
  350    H    SER  51           HN       SER  51  -5.925   0.019   0.019
  351    HA   SER  51           HA       SER  51  -4.467  -1.813  -1.813
  352   1HB   SER  51          2HB       SER  51  -5.835  -1.243  -1.243
  353   2HB   SER  51          3HB       SER  51  -6.929  -1.811  -1.811
  354    HG   SER  51           HG       SER  51  -7.885   0.048   0.048
  355    H    TYR  52           HN       TYR  52  -3.192  -0.788  -0.788
  356    HA   TYR  52           HA       TYR  52  -1.730   1.458   1.458
  357   1HB   TYR  52          2HB       TYR  52  -0.797  -0.183  -0.183
  358   2HB   TYR  52          3HB       TYR  52  -2.076   0.107   0.107
  359    HD1  TYR  52           HD2      TYR  52   1.095   1.436   1.436
  360    HD2  TYR  52           HD1      TYR  52  -1.994   1.928   1.928
  361    HE1  TYR  52           HE2      TYR  52   2.522   3.028   3.028
  362    HE2  TYR  52           HE1      TYR  52  -0.616   3.610   3.610
  363    HH   TYR  52           HH       TYR  52   1.213   4.972   4.972
  364    H    ARG  53           HN       ARG  53  -4.108   1.348   1.348
  365    HA   ARG  53           HA       ARG  53  -3.737   4.106   4.106
  366   1HB   ARG  53          2HB       ARG  53  -5.949   3.987   3.987
  367   2HB   ARG  53          3HB       ARG  53  -4.628   2.997   2.997
  368   1HG   ARG  53          2HG       ARG  53  -6.406   1.637   1.637
  369   2HG   ARG  53          3HG       ARG  53  -7.189   2.138   2.138
  370   1HD   ARG  53          2HD       ARG  53  -5.605   0.912   0.912
  371   2HD   ARG  53          3HD       ARG  53  -4.612   0.537   0.537
  372    HE   ARG  53           HE       ARG  53  -7.462  -0.379  -0.379
  373   1HH1  ARG  53          2HH2      ARG  53  -4.082  -1.386  -1.386
  374   2HH1  ARG  53          1HH2      ARG  53  -4.613  -2.715  -2.715
  375   1HH2  ARG  53          2HH1      ARG  53  -7.992  -2.470  -2.470
  376   2HH2  ARG  53          1HH1      ARG  53  -6.712  -3.300  -3.300
  377    H    ASP  54           HN       ASP  54  -6.043   2.493   2.493
  378    HA   ASP  54           HA       ASP  54  -7.475   4.840   4.840
  379   1HB   ASP  54          2HB       ASP  54  -6.696   2.325   2.325
  380   2HB   ASP  54          3HB       ASP  54  -7.504   3.680   3.680
  381    H    CYS  55           HN       CYS  55  -4.514   3.454   3.454
  382    HA   CYS  55           HA       CYS  55  -4.306   5.613   5.613
  383   1HB   CYS  55          2HB       CYS  55  -3.033   3.513   3.513
  384   2HB   CYS  55          3HB       CYS  55  -2.053   3.954   3.954
  385    H    PHE  56           HN       PHE  56  -2.912   5.177   5.177
  386    HA   PHE  56           HA       PHE  56  -1.311   7.480   7.480
  387   1HB   PHE  56          2HB       PHE  56  -1.435   5.495   5.495
  388   2HB   PHE  56          3HB       PHE  56  -2.794   6.311   6.311
  389    HD1  PHE  56          2HD       PHE  56  -2.402   8.722   8.722
  390    HD2  PHE  56          1HD       PHE  56   0.796   6.029   6.029
  391    HE1  PHE  56          2HE       PHE  56  -0.782  10.160  10.160
  392    HE2  PHE  56          1HE       PHE  56   2.404   7.446   7.446
  393    HZ   PHE  56           HZ       PHE  56   1.641   9.566   9.566
  394    H    ASN  57           HN       ASN  57  -4.748   7.076   7.076
  395    HA   ASN  57           HA       ASN  57  -4.773   9.904   9.904
  396   1HB   ASN  57          2HB       ASN  57  -6.981   7.755   7.755
  397   2HB   ASN  57          3HB       ASN  57  -7.306   9.417   9.417
  398   1HD2  ASN  57          2HD2      ASN  57  -5.661   6.855   6.855
  399   2HD2  ASN  57          1HD2      ASN  57  -5.641   6.470   6.470
  400    H    ALA  58           HN       ALA  58  -5.565   8.075   8.075
  401    HA   ALA  58           HA       ALA  58  -7.200  10.133  10.133
  402   1HB   ALA  58          3HB       ALA  58  -7.118   7.737   7.737
  403   2HB   ALA  58          1HB       ALA  58  -5.495   8.033   8.033
  404   3HB   ALA  58          2HB       ALA  58  -6.893   8.919   8.919
  405    H    CYS  59           HN       CYS  59  -3.695   9.335   9.335
  406    HA   CYS  59           HA       CYS  59  -3.319  11.593  11.593
  407   1HB   CYS  59          2HB       CYS  59  -3.091   9.245   9.245
  408   2HB   CYS  59          3HB       CYS  59  -1.723   9.049   9.049
  409    H    ILE  60           HN       ILE  60  -2.544  10.930  10.930
  410    HA   ILE  60           HA       ILE  60   0.071  12.363  12.363
  411    HB   ILE  60           HB       ILE  60  -0.947  10.637  10.637
  412   1HG1  ILE  60          2HG1      ILE  60  -0.531   9.303   9.303
  413   2HG1  ILE  60          3HG1      ILE  60   0.592   8.953   8.953
  414   1HG2  ILE  60          1HG2      ILE  60   1.714  12.015  12.015
  415   2HG2  ILE  60          2HG2      ILE  60   1.454  10.749  10.749
  416   3HG2  ILE  60          3HG2      ILE  60   0.584  12.283  12.283
  417   1HD1  ILE  60          2HD1      ILE  60   1.179  10.715  10.715
  418   2HD1  ILE  60          3HD1      ILE  60   1.631   9.034   9.034
  419   3HD1  ILE  60          1HD1      ILE  60   2.346  10.275  10.275

  Start of MODEL   14
    1    H    TYR   1           HN       TYR   1  -1.085  13.448  13.448
    2    HA   TYR   1           HA       TYR   1  -1.058  10.946  10.946
    3   1HB   TYR   1          2HB       TYR   1  -0.345  10.663  10.663
    4   2HB   TYR   1          3HB       TYR   1  -2.014  11.047  11.047
    5    HD1  TYR   1           HD1      TYR   1  -3.882   9.441   9.441
    6    HD2  TYR   1           HD2      TYR   1   0.280   8.568   8.568
    7    HE1  TYR   1           HE1      TYR   1  -4.507   7.280   7.280
    8    HE2  TYR   1           HE2      TYR   1  -0.363   6.425   6.425
    9    HH   TYR   1           HH       TYR   1  -3.716   5.324   5.324
   10    H    ASN   2           HN       ASN   2  -2.967  10.295  10.295
   11    HA   ASN   2           HA       ASN   2  -5.363  10.349  10.349
   12   1HB   ASN   2          2HB       ASN   2  -5.033  13.023  13.023
   13   2HB   ASN   2          3HB       ASN   2  -6.242  12.186  12.186
   14   1HD2  ASN   2          2HD2      ASN   2  -7.028  12.900  12.900
   15   2HD2  ASN   2          1HD2      ASN   2  -5.362  12.903  12.903
   16    H    ARG   3           HN       ARG   3  -4.181  11.155  11.155
   17    HA   ARG   3           HA       ARG   3  -6.003   9.511   9.511
   18   1HB   ARG   3          2HB       ARG   3  -3.917  11.286  11.286
   19   2HB   ARG   3          3HB       ARG   3  -3.428   9.733   9.733
   20   1HG   ARG   3          2HG       ARG   3  -4.440  10.924  10.924
   21   2HG   ARG   3          3HG       ARG   3  -5.512   9.581   9.581
   22   1HD   ARG   3          2HD       ARG   3  -7.182  10.970  10.970
   23   2HD   ARG   3          3HD       ARG   3  -6.079  12.153  12.153
   24    HE   ARG   3           HE       ARG   3  -6.794  11.815  11.815
   25   1HH1  ARG   3          2HH2      ARG   3  -5.167  13.863  13.863
   26   2HH1  ARG   3          1HH2      ARG   3  -4.889  15.156  15.156
   27   1HH2  ARG   3          2HH1      ARG   3  -6.672  13.551  13.551
   28   2HH2  ARG   3          1HH1      ARG   3  -5.807  15.001  15.001
   29    H    LEU   4           HN       LEU   4  -5.999   7.189   7.189
   30    HA   LEU   4           HA       LEU   4  -4.403   5.597   5.597
   31   1HB   LEU   4          2HB       LEU   4  -5.584   4.804   4.804
   32   2HB   LEU   4          3HB       LEU   4  -4.907   3.709   3.709
   33    HG   LEU   4           HG       LEU   4  -7.432   5.370   5.370
   34   1HD1  LEU   4          1HD1      LEU   4  -7.477   3.185   3.185
   35   2HD1  LEU   4          2HD1      LEU   4  -7.090   2.384   2.384
   36   3HD1  LEU   4          3HD1      LEU   4  -8.585   3.262   3.262
   37   1HD2  LEU   4          3HD2      LEU   4  -5.938   3.429   3.429
   38   2HD2  LEU   4          1HD2      LEU   4  -6.388   5.089   5.089
   39   3HD2  LEU   4          2HD2      LEU   4  -7.639   3.827   3.827
   40    H    CYS   5           HN       CYS   5  -3.746   6.779   6.779
   41    HA   CYS   5           HA       CYS   5  -1.321   5.663   5.663
   42   1HB   CYS   5          2HB       CYS   5  -2.558   7.241   7.241
   43   2HB   CYS   5          3HB       CYS   5  -2.380   8.468   8.468
   44    H    ILE   6           HN       ILE   6  -1.807   8.219   8.219
   45    HA   ILE   6           HA       ILE   6   0.999   8.757   8.757
   46    HB   ILE   6           HB       ILE   6  -1.334   9.232   9.232
   47   1HG1  ILE   6          2HG1      ILE   6  -2.155  10.132  10.132
   48   2HG1  ILE   6          3HG1      ILE   6  -1.551  11.444  11.444
   49   1HG2  ILE   6          1HG2      ILE   6   1.455  10.459  10.459
   50   2HG2  ILE   6          2HG2      ILE   6   0.258  11.230  11.230
   51   3HG2  ILE   6          3HG2      ILE   6   0.902   9.627   9.627
   52   1HD1  ILE   6          1HD1      ILE   6  -0.252  10.264  10.264
   53   2HD1  ILE   6          2HD1      ILE   6  -1.200  11.745  11.745
   54   3HD1  ILE   6          3HD1      ILE   6   0.355  11.654  11.654
   55    H    LYS   7           HN       LYS   7   2.322   7.039   7.039
   56    HA   LYS   7           HA       LYS   7   1.146   4.856   4.856
   57   1HB   LYS   7          2HB       LYS   7   3.240   4.791   4.791
   58   2HB   LYS   7          3HB       LYS   7   4.129   5.395   5.395
   59   1HG   LYS   7          2HG       LYS   7   3.284   3.416   3.416
   60   2HG   LYS   7          3HG       LYS   7   2.491   2.834   2.834
   61   1HD   LYS   7          2HD       LYS   7   4.847   2.744   2.744
   62   2HD   LYS   7          3HD       LYS   7   5.462   3.230   3.230
   63   1HE   LYS   7          2HE       LYS   7   5.627   0.826   0.826
   64   2HE   LYS   7          3HE       LYS   7   4.417   1.238   1.238
   65   1HZ   LYS   7          3HZ       LYS   7   3.781   0.435   0.435
   66   2HZ   LYS   7          1HZ       LYS   7   3.882  -0.562  -0.562
   67   3HZ   LYS   7          2HZ       LYS   7   2.703   0.587   0.587
   68    HA   PRO   8           HA       PRO   8   2.106   6.157   6.157
   69   1HB   PRO   8          2HB       PRO   8   2.204   3.592   3.592
   70   2HB   PRO   8          3HB       PRO   8   0.713   4.515   4.515
   71   1HG   PRO   8          2HG       PRO   8   1.958   2.376   2.376
   72   2HG   PRO   8          3HG       PRO   8   0.250   2.569   2.569
   73   1HD   PRO   8          2HD       PRO   8   1.078   3.334   3.334
   74   2HD   PRO   8          3HD       PRO   8  -0.085   4.321   4.321
   75    H    ARG   9           HN       ARG   9   3.735   4.880   4.880
   76    HA   ARG   9           HA       ARG   9   6.402   4.421   4.421
   77   1HB   ARG   9          2HB       ARG   9   5.634   6.882   6.882
   78   2HB   ARG   9          3HB       ARG   9   7.272   6.318   6.318
   79   1HG   ARG   9          2HG       ARG   9   7.259   7.845   7.845
   80   2HG   ARG   9          3HG       ARG   9   6.570   6.548   6.548
   81   1HD   ARG   9          2HD       ARG   9   4.331   7.551   7.551
   82   2HD   ARG   9          3HD       ARG   9   4.892   8.651   8.651
   83    HE   ARG   9           HE       ARG   9   5.485   8.682   8.682
   84   1HH1  ARG   9          2HH2      ARG   9   5.569  10.552  10.552
   85   2HH1  ARG   9          1HH2      ARG   9   6.891  11.549  11.549
   86   1HH2  ARG   9          2HH1      ARG   9   6.901  10.168  10.168
   87   2HH2  ARG   9          1HH1      ARG   9   7.464  11.552  11.552
   88    H    ASP  10           HN       ASP  10   4.732   2.816   2.816
   89    HA   ASP  10           HA       ASP  10   5.810   1.885   1.885
   90   1HB   ASP  10          2HB       ASP  10   3.676   2.231   2.231
   91   2HB   ASP  10          3HB       ASP  10   4.579   3.712   3.712
   92    H    TRP  11           HN       TRP  11   5.740   0.901   0.901
   93    HA   TRP  11           HA       TRP  11   3.959  -1.406  -1.406
   94   1HB   TRP  11          2HB       TRP  11   2.436   0.072   0.072
   95   2HB   TRP  11          3HB       TRP  11   3.593   0.933   0.933
   96    HD1  TRP  11           HD1      TRP  11   4.644  -1.882  -1.882
   97    HE1  TRP  11           HE1      TRP  11   3.313  -2.458  -2.458
   98    HE3  TRP  11           HE3      TRP  11   0.274   0.292   0.292
   99    HZ2  TRP  11           HZ2      TRP  11   0.714  -2.075  -2.075
  100    HZ3  TRP  11           HZ3      TRP  11  -1.843  -0.382  -0.382
  101    HH2  TRP  11           HH2      TRP  11  -1.559  -1.393  -1.393
  102    H    ILE  12           HN       ILE  12   5.599  -2.834  -2.834
  103    HA   ILE  12           HA       ILE  12   8.091  -2.320  -2.320
  104    HB   ILE  12           HB       ILE  12   7.420  -4.405  -4.405
  105   1HG1  ILE  12          2HG1      ILE  12   7.162  -2.281  -2.281
  106   2HG1  ILE  12          3HG1      ILE  12   8.660  -3.029  -3.029
  107   1HG2  ILE  12          1HG2      ILE  12  10.055  -3.484  -3.484
  108   2HG2  ILE  12          2HG2      ILE  12   9.907  -4.556  -4.556
  109   3HG2  ILE  12          3HG2      ILE  12   9.302  -5.075  -5.075
  110   1HD1  ILE  12          1HD1      ILE  12   9.911  -1.540  -1.540
  111   2HD1  ILE  12          2HD1      ILE  12   8.377  -0.759  -0.759
  112   3HD1  ILE  12          3HD1      ILE  12   8.984  -0.647  -0.647
  113    H    ASP  13           HN       ASP  13   6.702  -2.665  -2.665
  114    HA   ASP  13           HA       ASP  13   5.783  -5.380  -5.380
  115   1HB   ASP  13          2HB       ASP  13   5.248  -4.603  -4.603
  116   2HB   ASP  13          3HB       ASP  13   4.353  -3.993  -3.993
  117    H    GLU  14           HN       GLU  14   7.997  -6.180  -6.180
  118    HA   GLU  14           HA       GLU  14   9.840  -6.196  -6.196
  119   1HB   GLU  14          2HB       GLU  14   9.776  -7.224  -7.224
  120   2HB   GLU  14          3HB       GLU  14  10.555  -8.303  -8.303
  121   1HG   GLU  14          2HG       GLU  14  12.196  -6.858  -6.858
  122   2HG   GLU  14          3HG       GLU  14  11.980  -6.465  -6.465
  123    H    CYS  15           HN       CYS  15   6.846  -7.295  -7.295
  124    HA   CYS  15           HA       CYS  15   7.310 -10.022 -10.022
  125   1HB   CYS  15          2HB       CYS  15   4.848  -8.384  -8.384
  126   2HB   CYS  15          3HB       CYS  15   4.729  -9.804  -9.804
  127    H    ASP  16           HN       ASP  16   6.311 -10.575 -10.575
  128    HA   ASP  16           HA       ASP  16   6.160  -8.517  -8.517
  129   1HB   ASP  16          2HB       ASP  16   7.681 -11.124 -11.124
  130   2HB   ASP  16          3HB       ASP  16   7.466  -9.856  -9.856
  131    H    SER  17           HN       SER  17   5.303 -10.071 -10.071
  132    HA   SER  17           HA       SER  17   2.899 -11.422 -11.422
  133   1HB   SER  17          2HB       SER  17   3.470 -12.551 -12.551
  134   2HB   SER  17          3HB       SER  17   2.753 -10.979 -10.979
  135    HG   SER  17           HG       SER  17   5.537 -11.484 -11.484
  136    H    ASN  18           HN       ASN  18   2.600 -13.787 -13.787
  137    HA   ASN  18           HA       ASN  18   3.139 -15.974 -15.974
  138   1HB   ASN  18          2HB       ASN  18   5.138 -15.786 -15.786
  139   2HB   ASN  18          3HB       ASN  18   6.120 -15.333 -15.333
  140   1HD2  ASN  18          2HD2      ASN  18   6.456 -18.597 -18.597
  141   2HD2  ASN  18          1HD2      ASN  18   6.815 -16.885 -16.885
  142    H    GLU  19           HN       GLU  19   4.830 -13.579 -13.579
  143    HA   GLU  19           HA       GLU  19   4.743 -15.098 -15.098
  144   1HB   GLU  19          2HB       GLU  19   5.805 -12.579 -12.579
  145   2HB   GLU  19          3HB       GLU  19   4.760 -12.230 -12.230
  146   1HG   GLU  19          2HG       GLU  19   7.159 -14.122 -14.122
  147   2HG   GLU  19          3HG       GLU  19   7.087 -12.514 -12.514
  148    H    GLY  20           HN       GLY  20   3.523 -13.452 -13.452
  149   1HA   GLY  20          1HA       GLY  20   0.664 -13.826 -13.826
  150   2HA   GLY  20          2HA       GLY  20   1.535 -12.925 -12.925
  151    H    GLY  21           HN       GLY  21  -0.702 -11.725 -11.725
  152   1HA   GLY  21          1HA       GLY  21  -1.207  -9.513  -9.513
  153   2HA   GLY  21          2HA       GLY  21   0.314  -9.201  -9.201
  154    H    GLU  22           HN       GLU  22  -2.151  -8.117  -8.117
  155    HA   GLU  22           HA       GLU  22  -2.772  -9.377  -9.377
  156   1HB   GLU  22          2HB       GLU  22  -4.578  -8.239  -8.239
  157   2HB   GLU  22          3HB       GLU  22  -4.116  -6.834  -6.834
  158   1HG   GLU  22          2HG       GLU  22  -4.535  -8.566  -8.566
  159   2HG   GLU  22          3HG       GLU  22  -5.508  -9.385  -9.385
  160    H    ARG  23           HN       ARG  23  -3.038  -7.376  -7.376
  161    HA   ARG  23           HA       ARG  23  -0.390  -6.167  -6.167
  162   1HB   ARG  23          2HB       ARG  23  -2.618  -6.576  -6.576
  163   2HB   ARG  23          3HB       ARG  23  -1.992  -4.918  -4.918
  164   1HG   ARG  23          2HG       ARG  23   0.344  -5.883  -5.883
  165   2HG   ARG  23          3HG       ARG  23  -0.442  -7.422  -7.422
  166   1HD   ARG  23          2HD       ARG  23  -0.947  -7.160  -7.160
  167   2HD   ARG  23          3HD       ARG  23  -1.360  -5.448  -5.448
  168    HE   ARG  23           HE       ARG  23   1.176  -5.097  -5.097
  169   1HH1  ARG  23          2HH2      ARG  23  -0.575  -6.745  -6.745
  170   2HH1  ARG  23          1HH2      ARG  23   0.811  -7.080  -7.080
  171   1HH2  ARG  23          2HH1      ARG  23   3.109  -5.546  -5.546
  172   2HH2  ARG  23          1HH1      ARG  23   2.905  -5.939  -5.939
  173    H    ALA  24           HN       ALA  24  -0.265  -3.806  -3.806
  174    HA   ALA  24           HA       ALA  24  -2.556  -2.185  -2.185
  175   1HB   ALA  24          2HB       ALA  24   0.029  -2.226  -2.226
  176   2HB   ALA  24          3HB       ALA  24  -1.130  -0.883  -0.883
  177   3HB   ALA  24          1HB       ALA  24  -1.622  -2.482  -2.482
  178    H    TYR  25           HN       TYR  25  -1.918   0.174   0.174
  179    HA   TYR  25           HA       TYR  25   0.439   0.505   0.505
  180   1HB   TYR  25          2HB       TYR  25  -2.429   1.203   1.203
  181   2HB   TYR  25          3HB       TYR  25  -1.041   1.950   1.950
  182    HD1  TYR  25           HD1      TYR  25  -2.811  -1.288  -1.288
  183    HD2  TYR  25           HD2      TYR  25   0.286   0.766   0.766
  184    HE1  TYR  25           HE1      TYR  25  -2.561  -3.245  -3.245
  185    HE2  TYR  25           HE2      TYR  25   0.486  -1.187  -1.187
  186    HH   TYR  25           HH       TYR  25  -0.284  -3.198  -3.198
  187    H    PHE  26           HN       PHE  26   1.583   2.213   2.213
  188    HA   PHE  26           HA       PHE  26   0.340   4.318   4.318
  189   1HB   PHE  26          2HB       PHE  26   2.862   2.758   2.758
  190   2HB   PHE  26          3HB       PHE  26   2.387   4.266   4.266
  191    HD1  PHE  26          2HD       PHE  26   0.347   4.464   4.464
  192    HD2  PHE  26          1HD       PHE  26   1.601   0.656   0.656
  193    HE1  PHE  26          2HE       PHE  26  -1.037   3.322   3.322
  194    HE2  PHE  26          1HE       PHE  26   0.315  -0.473  -0.473
  195    HZ   PHE  26           HZ       PHE  26  -1.148   0.868   0.868
  196    H    ARG  27           HN       ARG  27   1.718   6.243   6.243
  197    HA   ARG  27           HA       ARG  27   3.409   6.654   6.654
  198   1HB   ARG  27          2HB       ARG  27   3.956   8.801   8.801
  199   2HB   ARG  27          3HB       ARG  27   2.259   8.586   8.586
  200   1HG   ARG  27          2HG       ARG  27   1.578   8.495   8.495
  201   2HG   ARG  27          3HG       ARG  27   3.150   8.050   8.050
  202   1HD   ARG  27          2HD       ARG  27   2.696  10.707  10.707
  203   2HD   ARG  27          3HD       ARG  27   2.190  10.449  10.449
  204    HE   ARG  27           HE       ARG  27   5.009  10.233  10.233
  205   1HH1  ARG  27          2HH2      ARG  27   3.046  11.565  11.565
  206   2HH1  ARG  27          1HH2      ARG  27   4.022  11.120  11.120
  207   1HH2  ARG  27          2HH1      ARG  27   6.609   9.871   9.871
  208   2HH2  ARG  27          1HH1      ARG  27   6.156  10.060  10.060
  209    H    ASN  28           HN       ASN  28   5.391   6.004   6.004
  210    HA   ASN  28           HA       ASN  28   7.091   5.713   5.713
  211   1HB   ASN  28          2HB       ASN  28   8.713   4.659   4.659
  212   2HB   ASN  28          3HB       ASN  28   7.211   3.707   3.707
  213   1HD2  ASN  28          2HD2      ASN  28   6.746   4.425   4.425
  214   2HD2  ASN  28          1HD2      ASN  28   5.841   4.303   4.303
  215    H    GLY  29           HN       GLY  29   9.414   6.605   6.605
  216   1HA   GLY  29          1HA       GLY  29   9.036   9.408   9.408
  217   2HA   GLY  29          2HA       GLY  29  10.499   8.579   8.579
  218    H    LYS  30           HN       LYS  30   8.329   7.943   7.943
  219    HA   LYS  30           HA       LYS  30  10.612   8.584   8.584
  220   1HB   LYS  30          2HB       LYS  30  10.031   6.304   6.304
  221   2HB   LYS  30          3HB       LYS  30   8.289   6.662   6.662
  222   1HG   LYS  30          2HG       LYS  30   8.458   7.577   7.577
  223   2HG   LYS  30          3HG       LYS  30  10.207   7.876   7.876
  224   1HD   LYS  30          2HD       LYS  30   9.121   5.043   5.043
  225   2HD   LYS  30          3HD       LYS  30   9.324   5.884   5.884
  226   1HE   LYS  30          2HE       LYS  30  11.700   6.207   6.207
  227   2HE   LYS  30          3HE       LYS  30  11.607   5.551   5.551
  228   1HZ   LYS  30          3HZ       LYS  30  10.984   3.995   3.995
  229   2HZ   LYS  30          1HZ       LYS  30  12.436   3.964   3.964
  230   3HZ   LYS  30          2HZ       LYS  30  11.137   3.434   3.434
  231    H    GLY  31           HN       GLY  31   7.112   9.157   9.157
  232   1HA   GLY  31          1HA       GLY  31   6.463  11.505  11.505
  233   2HA   GLY  31          2HA       GLY  31   7.083  11.141  11.141
  234    H    GLY  32           HN       GLY  32   6.126   8.279   8.279
  235   1HA   GLY  32          1HA       GLY  32   3.308   8.712   8.712
  236   2HA   GLY  32          2HA       GLY  32   4.335   7.305   7.305
  237    H    CYS  33           HN       CYS  33   2.448   6.146   6.146
  238    HA   CYS  33           HA       CYS  33   2.783   5.712   5.712
  239   1HB   CYS  33          2HB       CYS  33   0.639   4.593   4.593
  240   2HB   CYS  33          3HB       CYS  33   0.967   4.088   4.088
  241    H    ASP  34           HN       ASP  34   3.412   3.447   3.447
  242    HA   ASP  34           HA       ASP  34   4.133   1.785   1.785
  243   1HB   ASP  34          2HB       ASP  34   5.786   2.253   2.253
  244   2HB   ASP  34          3HB       ASP  34   5.638   0.634   0.634
  245    H    SER  35           HN       SER  35   3.859  -0.526  -0.526
  246    HA   SER  35           HA       SER  35   1.483  -0.868  -0.868
  247   1HB   SER  35          2HB       SER  35   1.953  -2.341  -2.341
  248   2HB   SER  35          3HB       SER  35   3.153  -3.137  -3.137
  249    HG   SER  35           HG       SER  35   0.531  -2.765  -2.765
  250    H    PHE  36           HN       PHE  36   1.753  -2.898  -2.898
  251    HA   PHE  36           HA       PHE  36   4.225  -3.268  -3.268
  252   1HB   PHE  36          2HB       PHE  36   2.053  -1.486  -1.486
  253   2HB   PHE  36          3HB       PHE  36   2.547  -2.782  -2.782
  254    HD1  PHE  36          2HD       PHE  36   5.117  -3.344  -3.344
  255    HD2  PHE  36          1HD       PHE  36   3.606   0.507   0.507
  256    HE1  PHE  36          2HE       PHE  36   6.884  -2.254  -2.254
  257    HE2  PHE  36          1HE       PHE  36   5.300   1.584   1.584
  258    HZ   PHE  36           HZ       PHE  36   6.646   0.098   0.098
  259    H    TRP  37           HN       TRP  37   3.911  -4.904  -4.904
  260    HA   TRP  37           HA       TRP  37   1.431  -6.483  -6.483
  261   1HB   TRP  37          2HB       TRP  37   4.342  -7.400  -7.400
  262   2HB   TRP  37          3HB       TRP  37   2.926  -8.424  -8.424
  263    HD1  TRP  37           HD1      TRP  37   4.877  -6.511  -6.511
  264    HE1  TRP  37           HE1      TRP  37   4.037  -7.104  -7.104
  265    HE3  TRP  37           HE3      TRP  37   0.883  -9.372  -9.372
  266    HZ2  TRP  37           HZ2      TRP  37   1.760  -8.505  -8.505
  267    HZ3  TRP  37           HZ3      TRP  37  -0.603 -10.277 -10.277
  268    HH2  TRP  37           HH2      TRP  37  -0.125  -9.995  -9.995
  269    H    ILE  38           HN       ILE  38   0.628  -6.173  -6.173
  270    HA   ILE  38           HA       ILE  38   2.283  -4.616  -4.616
  271    HB   ILE  38           HB       ILE  38  -0.224  -6.397  -6.397
  272   1HG1  ILE  38          2HG1      ILE  38  -0.633  -3.530  -3.530
  273   2HG1  ILE  38          3HG1      ILE  38  -0.526  -4.475  -4.475
  274   1HG2  ILE  38          3HG2      ILE  38   1.039  -4.001  -4.001
  275   2HG2  ILE  38          1HG2      ILE  38  -0.612  -4.510  -4.510
  276   3HG2  ILE  38          2HG2      ILE  38   0.735  -5.599  -5.599
  277   1HD1  ILE  38          1HD1      ILE  38  -2.440  -4.706  -4.706
  278   2HD1  ILE  38          2HD1      ILE  38  -2.782  -4.016  -4.016
  279   3HD1  ILE  38          3HD1      ILE  38  -2.490  -5.766  -5.766
  280    H    CYS  39           HN       CYS  39   2.977  -5.822  -5.822
  281    HA   CYS  39           HA       CYS  39   3.256  -8.768  -8.768
  282   1HB   CYS  39          2HB       CYS  39   5.361  -7.355  -7.355
  283   2HB   CYS  39          3HB       CYS  39   5.192  -7.279  -7.279
  284    HA   PRO  40           HA       PRO  40   0.455  -8.955  -8.955
  285   1HB   PRO  40          2HB       PRO  40   0.656 -11.496 -11.496
  286   2HB   PRO  40          3HB       PRO  40   0.317 -11.079 -11.079
  287   1HG   PRO  40          2HG       PRO  40   2.935 -11.857 -11.857
  288   2HG   PRO  40          3HG       PRO  40   2.218 -12.544 -12.544
  289   1HD   PRO  40          2HD       PRO  40   4.061 -10.500 -10.500
  290   2HD   PRO  40          3HD       PRO  40   2.857 -10.640 -10.640
  291    H    GLU  41           HN       GLU  41   3.626  -9.179  -9.179
  292    HA   GLU  41           HA       GLU  41   3.485  -9.493  -9.493
  293   1HB   GLU  41          2HB       GLU  41   5.497  -8.750  -8.750
  294   2HB   GLU  41          3HB       GLU  41   5.230  -7.244  -7.244
  295   1HG   GLU  41          2HG       GLU  41   5.726  -9.915  -9.915
  296   2HG   GLU  41          3HG       GLU  41   6.971  -8.730  -8.730
  297    H    ASP  42           HN       ASP  42   3.100  -6.564  -6.564
  298    HA   ASP  42           HA       ASP  42   1.670  -4.944  -4.944
  299   1HB   ASP  42          2HB       ASP  42   1.983  -4.657  -4.657
  300   2HB   ASP  42          3HB       ASP  42   1.368  -3.393  -3.393
  301    H    HIS  43           HN       HIS  43  -0.383  -3.938  -3.938
  302    HA   HIS  43           HA       HIS  43  -1.585  -5.477  -5.477
  303   1HB   HIS  43          2HB       HIS  43  -2.319  -6.554  -6.554
  304   2HB   HIS  43          3HB       HIS  43  -3.567  -5.356  -5.356
  305    HD1  HIS  43           HD1      HIS  43  -5.210  -7.529  -7.529
  306    HD2  HIS  43           HD2      HIS  43  -2.440  -7.151  -7.151
  307    HE1  HIS  43           HE1      HIS  43  -5.851  -9.252  -9.252
  308    H    THR  44           HN       THR  44  -2.231  -3.131  -3.131
  309    HA   THR  44           HA       THR  44  -3.277  -1.174  -1.174
  310    HB   THR  44           HB       THR  44  -1.316  -0.492  -0.492
  311    HG1  THR  44          1HG       THR  44  -3.660   0.715   0.715
  312   1HG2  THR  44          2HG2      THR  44  -2.893  -1.139  -1.139
  313   2HG2  THR  44          3HG2      THR  44  -1.601   0.052   0.052
  314   3HG2  THR  44          1HG2      THR  44  -1.244  -1.640  -1.640
  315    H    GLY  45           HN       GLY  45  -4.926  -3.354  -3.354
  316   1HA   GLY  45          1HA       GLY  45  -6.791  -4.067  -4.067
  317   2HA   GLY  45          2HA       GLY  45  -7.374  -2.425  -2.425
  318    H    ALA  46           HN       ALA  46  -4.679  -3.092  -3.092
  319    HA   ALA  46           HA       ALA  46  -4.140  -2.368  -2.368
  320   1HB   ALA  46          3HB       ALA  46  -4.561  -4.736  -4.736
  321   2HB   ALA  46          1HB       ALA  46  -6.132  -4.389  -4.389
  322   3HB   ALA  46          2HB       ALA  46  -4.600  -3.864  -3.864
  323    H    ASP  47           HN       ASP  47  -4.314  -0.459  -0.459
  324    HA   ASP  47           HA       ASP  47  -6.756   0.949   0.949
  325   1HB   ASP  47          2HB       ASP  47  -5.995   1.478   1.478
  326   2HB   ASP  47          3HB       ASP  47  -4.358   1.758   1.758
  327    H    TYR  48           HN       TYR  48  -6.233   0.596   0.596
  328    HA   TYR  48           HA       TYR  48  -3.814   1.870   1.870
  329   1HB   TYR  48          2HB       TYR  48  -3.074  -0.115  -0.115
  330   2HB   TYR  48          3HB       TYR  48  -2.851  -0.249  -0.249
  331    HD1  TYR  48           HD2      TYR  48  -4.470  -1.647  -1.647
  332    HD2  TYR  48           HD1      TYR  48  -4.499  -1.661  -1.661
  333    HE1  TYR  48           HE2      TYR  48  -6.352  -3.310  -3.310
  334    HE2  TYR  48           HE1      TYR  48  -6.010  -3.614  -3.614
  335    HH   TYR  48           HH       TYR  48  -6.886  -5.290  -5.290
  336    H    TYR  49           HN       TYR  49  -3.929   2.097   2.097
  337    HA   TYR  49           HA       TYR  49  -6.646   1.832   1.832
  338   1HB   TYR  49          2HB       TYR  49  -4.035   2.943   2.943
  339   2HB   TYR  49          3HB       TYR  49  -5.425   2.689   2.689
  340    HD1  TYR  49           HD1      TYR  49  -7.771   3.610   3.610
  341    HD2  TYR  49           HD2      TYR  49  -3.792   5.245   5.245
  342    HE1  TYR  49           HE1      TYR  49  -8.678   5.722   5.722
  343    HE2  TYR  49           HE2      TYR  49  -4.775   7.479   7.479
  344    HH   TYR  49           HH       TYR  49  -8.129   7.751   7.751
  345    H    SER  50           HN       SER  50  -7.286   0.245   0.245
  346    HA   SER  50           HA       SER  50  -5.788  -2.169  -2.169
  347   1HB   SER  50          2HB       SER  50  -7.865  -2.870  -2.870
  348   2HB   SER  50          3HB       SER  50  -8.013  -2.512  -2.512
  349    HG   SER  50           HG       SER  50  -8.472  -0.555  -0.555
  350    H    SER  51           HN       SER  51  -6.635  -0.032  -0.032
  351    HA   SER  51           HA       SER  51  -4.894  -1.853  -1.853
  352   1HB   SER  51          2HB       SER  51  -6.084  -1.439  -1.439
  353   2HB   SER  51          3HB       SER  51  -7.363  -1.413  -1.413
  354    HG   SER  51           HG       SER  51  -7.692   0.670   0.670
  355    H    TYR  52           HN       TYR  52  -3.689  -0.765  -0.765
  356    HA   TYR  52           HA       TYR  52  -1.956   1.293   1.293
  357   1HB   TYR  52          2HB       TYR  52  -1.286  -0.380  -0.380
  358   2HB   TYR  52          3HB       TYR  52  -2.333   0.484   0.484
  359    HD1  TYR  52           HD1      TYR  52  -1.775   2.939   2.939
  360    HD2  TYR  52           HD2      TYR  52   0.960   0.397   0.397
  361    HE1  TYR  52           HE1      TYR  52  -0.106   4.757   4.757
  362    HE2  TYR  52           HE2      TYR  52   2.531   2.246   2.246
  363    HH   TYR  52           HH       TYR  52   2.746   4.431   4.431
  364    H    ARG  53           HN       ARG  53  -4.575   1.238   1.238
  365    HA   ARG  53           HA       ARG  53  -4.483   4.029   4.029
  366   1HB   ARG  53          2HB       ARG  53  -5.602   2.318   2.318
  367   2HB   ARG  53          3HB       ARG  53  -6.918   2.253   2.253
  368   1HG   ARG  53          2HG       ARG  53  -7.364   4.639   4.639
  369   2HG   ARG  53          3HG       ARG  53  -5.964   4.830   4.830
  370   1HD   ARG  53          2HD       ARG  53  -8.329   3.003   3.003
  371   2HD   ARG  53          3HD       ARG  53  -8.204   4.642   4.642
  372    HE   ARG  53           HE       ARG  53  -7.035   2.199   2.199
  373   1HH1  ARG  53          2HH2      ARG  53  -6.523   5.718   5.718
  374   2HH1  ARG  53          1HH2      ARG  53  -5.291   5.719   5.719
  375   1HH2  ARG  53          2HH1      ARG  53  -5.764   2.252   2.252
  376   2HH2  ARG  53          1HH1      ARG  53  -4.864   3.701   3.701
  377    H    ASP  54           HN       ASP  54  -6.189   2.189   2.189
  378    HA   ASP  54           HA       ASP  54  -7.758   4.356   4.356
  379   1HB   ASP  54          2HB       ASP  54  -6.384   2.082   2.082
  380   2HB   ASP  54          3HB       ASP  54  -7.566   3.185   3.185
  381    H    CYS  55           HN       CYS  55  -4.533   3.236   3.236
  382    HA   CYS  55           HA       CYS  55  -4.241   5.471   5.471
  383   1HB   CYS  55          2HB       CYS  55  -2.883   3.403   3.403
  384   2HB   CYS  55          3HB       CYS  55  -2.073   3.841   3.841
  385    H    PHE  56           HN       PHE  56  -3.152   4.990   4.990
  386    HA   PHE  56           HA       PHE  56  -1.704   7.365   7.365
  387   1HB   PHE  56          2HB       PHE  56  -1.845   5.310   5.310
  388   2HB   PHE  56          3HB       PHE  56  -3.259   6.088   6.088
  389    HD1  PHE  56          1HD       PHE  56   0.198   7.028   7.028
  390    HD2  PHE  56          2HD       PHE  56  -2.696   7.058   7.058
  391    HE1  PHE  56          1HE       PHE  56   2.000   7.455   7.455
  392    HE2  PHE  56          2HE       PHE  56  -0.865   7.380   7.380
  393    HZ   PHE  56           HZ       PHE  56   1.497   7.421   7.421
  394    H    ASN  57           HN       ASN  57  -5.237   6.751   6.751
  395    HA   ASN  57           HA       ASN  57  -5.496   9.528   9.528
  396   1HB   ASN  57          2HB       ASN  57  -7.483   7.264   7.264
  397   2HB   ASN  57          3HB       ASN  57  -8.010   8.906   8.906
  398   1HD2  ASN  57          2HD2      ASN  57  -7.988   7.055   7.055
  399   2HD2  ASN  57          1HD2      ASN  57  -8.772   6.840   6.840
  400    H    ALA  58           HN       ALA  58  -6.218   7.696   7.696
  401    HA   ALA  58           HA       ALA  58  -7.671   9.911   9.911
  402   1HB   ALA  58          3HB       ALA  58  -8.073   7.550   7.550
  403   2HB   ALA  58          1HB       ALA  58  -6.423   7.453   7.453
  404   3HB   ALA  58          2HB       ALA  58  -7.619   8.542   8.542
  405    H    CYS  59           HN       CYS  59  -4.295   9.384   9.384
  406    HA   CYS  59           HA       CYS  59  -3.651  11.411  11.411
  407   1HB   CYS  59          2HB       CYS  59  -3.234   9.065   9.065
  408   2HB   CYS  59          3HB       CYS  59  -2.132   8.924   8.924
  409    H    ILE  60           HN       ILE  60  -2.872  10.267  10.267
  410    HA   ILE  60           HA       ILE  60  -0.577  12.166  12.166
  411    HB   ILE  60           HB       ILE  60  -0.940   9.648   9.648
  412   1HG1  ILE  60          2HG1      ILE  60  -0.754   8.882   8.882
  413   2HG1  ILE  60          3HG1      ILE  60   0.684   8.493   8.493
  414   1HG2  ILE  60          2HG2      ILE  60   1.514  11.364  11.364
  415   2HG2  ILE  60          3HG2      ILE  60   1.451   9.821   9.821
  416   3HG2  ILE  60          1HG2      ILE  60   0.573  11.201  11.201
  417   1HD1  ILE  60          3HD1      ILE  60   0.490  10.809  10.809
  418   2HD1  ILE  60          1HD1      ILE  60   1.194   9.218   9.218
  419   3HD1  ILE  60          2HD1      ILE  60   1.947  10.281  10.281

  Start of MODEL   15
    1    H    TYR   1           HN       TYR   1  -2.798  15.524  15.524
    2    HA   TYR   1           HA       TYR   1  -5.345  14.059  14.059
    3   1HB   TYR   1          2HB       TYR   1  -5.701  15.881  15.881
    4   2HB   TYR   1          3HB       TYR   1  -4.040  15.786  15.786
    5    HD1  TYR   1           HD2      TYR   1  -6.668  13.070  13.070
    6    HD2  TYR   1           HD1      TYR   1  -4.303  15.651  15.651
    7    HE1  TYR   1           HE2      TYR   1  -7.544  11.940  11.940
    8    HE2  TYR   1           HE1      TYR   1  -5.188  14.487  14.487
    9    HH   TYR   1           HH       TYR   1  -7.492  11.792  11.792
   10    H    ASN   2           HN       ASN   2  -4.966  11.869  11.869
   11    HA   ASN   2           HA       ASN   2  -2.301  11.128  11.128
   12   1HB   ASN   2          2HB       ASN   2  -2.596   8.952   8.952
   13   2HB   ASN   2          3HB       ASN   2  -3.007   9.881   9.881
   14   1HD2  ASN   2          2HD2      ASN   2  -5.597   7.127   7.127
   15   2HD2  ASN   2          1HD2      ASN   2  -3.978   7.337   7.337
   16    H    ARG   3           HN       ARG   3  -2.439  11.507  11.507
   17    HA   ARG   3           HA       ARG   3  -4.913  11.083  11.083
   18   1HB   ARG   3          2HB       ARG   3  -3.167  12.702  12.702
   19   2HB   ARG   3          3HB       ARG   3  -2.072  11.358  11.358
   20   1HG   ARG   3          2HG       ARG   3  -3.654  10.475  10.475
   21   2HG   ARG   3          3HG       ARG   3  -4.812  11.755  11.755
   22   1HD   ARG   3          2HD       ARG   3  -2.576  13.227  13.227
   23   2HD   ARG   3          3HD       ARG   3  -2.397  11.870  11.870
   24    HE   ARG   3           HE       ARG   3  -4.255  14.068  14.068
   25   1HH1  ARG   3          2HH2      ARG   3  -4.875  10.584  10.584
   26   2HH1  ARG   3          1HH2      ARG   3  -5.496  10.839  10.839
   27   1HH2  ARG   3          2HH1      ARG   3  -5.216  14.318  14.318
   28   2HH2  ARG   3          1HH1      ARG   3  -6.112  13.001  13.001
   29    H    LEU   4           HN       LEU   4  -5.689   9.060   9.060
   30    HA   LEU   4           HA       LEU   4  -4.468   6.702   6.702
   31   1HB   LEU   4          2HB       LEU   4  -6.425   7.185   7.185
   32   2HB   LEU   4          3HB       LEU   4  -5.868   5.583   5.583
   33    HG   LEU   4           HG       LEU   4  -7.503   7.449   7.449
   34   1HD1  LEU   4          3HD1      LEU   4  -8.023   4.768   4.768
   35   2HD1  LEU   4          1HD1      LEU   4  -9.127   5.501   5.501
   36   3HD1  LEU   4          2HD1      LEU   4  -8.774   6.332   6.332
   37   1HD2  LEU   4          3HD2      LEU   4  -6.441   4.665   4.665
   38   2HD2  LEU   4          1HD2      LEU   4  -6.015   6.178   6.178
   39   3HD2  LEU   4          2HD2      LEU   4  -7.657   5.557   5.557
   40    H    CYS   5           HN       CYS   5  -3.962   8.422   8.422
   41    HA   CYS   5           HA       CYS   5  -2.381   6.555   6.555
   42   1HB   CYS   5          2HB       CYS   5  -3.231   8.663   8.663
   43   2HB   CYS   5          3HB       CYS   5  -2.096   9.552   9.552
   44    H    ILE   6           HN       ILE   6  -1.560   7.896   7.896
   45    HA   ILE   6           HA       ILE   6   1.366   7.477   7.477
   46    HB   ILE   6           HB       ILE   6  -0.057   9.624   9.624
   47   1HG1  ILE   6          2HG1      ILE   6   0.898   9.750   9.750
   48   2HG1  ILE   6          3HG1      ILE   6  -0.707  10.083  10.083
   49   1HG2  ILE   6          3HG2      ILE   6   2.365   8.951   8.951
   50   2HG2  ILE   6          1HG2      ILE   6   2.816   9.490   9.490
   51   3HG2  ILE   6          2HG2      ILE   6   2.172  10.648  10.648
   52   1HD1  ILE   6          3HD1      ILE   6   0.161  12.050  12.050
   53   2HD1  ILE   6          1HD1      ILE   6   1.714  11.830  11.830
   54   3HD1  ILE   6          2HD1      ILE   6   0.250  12.192  12.192
   55    H    LYS   7           HN       LYS   7   2.015   5.880   5.880
   56    HA   LYS   7           HA       LYS   7   0.635   5.570   5.570
   57   1HB   LYS   7          2HB       LYS   7   1.140   3.603   3.603
   58   2HB   LYS   7          3HB       LYS   7   2.860   3.895   3.895
   59   1HG   LYS   7          2HG       LYS   7   2.696   3.708   3.708
   60   2HG   LYS   7          3HG       LYS   7   0.941   3.626   3.626
   61   1HD   LYS   7          2HD       LYS   7   1.210   1.422   1.422
   62   2HD   LYS   7          3HD       LYS   7   1.425   1.453   1.453
   63   1HE   LYS   7          2HE       LYS   7   3.186   0.057   0.057
   64   2HE   LYS   7          3HE       LYS   7   4.044   1.580   1.580
   65   1HZ   LYS   7          3HZ       LYS   7   2.869   0.690   0.690
   66   2HZ   LYS   7          1HZ       LYS   7   4.238   0.064   0.064
   67   3HZ   LYS   7          2HZ       LYS   7   4.211   1.642   1.642
   68    HA   PRO   8           HA       PRO   8   4.252   8.187   8.187
   69   1HB   PRO   8          2HB       PRO   8   3.031   9.810   9.810
   70   2HB   PRO   8          3HB       PRO   8   2.949  10.102  10.102
   71   1HG   PRO   8          2HG       PRO   8   0.859   8.707   8.707
   72   2HG   PRO   8          3HG       PRO   8   0.595  10.063  10.063
   73   1HD   PRO   8          2HD       PRO   8   0.200   7.480   7.480
   74   2HD   PRO   8          3HD       PRO   8   0.910   8.702   8.702
   75    H    ARG   9           HN       ARG   9   4.309   5.819   5.819
   76    HA   ARG   9           HA       ARG   9   4.741   5.547   5.547
   77   1HB   ARG   9          2HB       ARG   9   2.034   5.135   5.135
   78   2HB   ARG   9          3HB       ARG   9   2.638   3.491   3.491
   79   1HG   ARG   9          2HG       ARG   9   3.679   3.933   3.933
   80   2HG   ARG   9          3HG       ARG   9   3.141   5.625   5.625
   81   1HD   ARG   9          2HD       ARG   9   0.758   4.659   4.659
   82   2HD   ARG   9          3HD       ARG   9   1.409   3.132   3.132
   83    HE   ARG   9           HE       ARG   9   0.815   5.591   5.591
   84   1HH1  ARG   9          2HH2      ARG   9   2.693   2.589   2.589
   85   2HH1  ARG   9          1HH2      ARG   9   2.616   2.599   2.599
   86   1HH2  ARG   9          2HH1      ARG   9   1.276   5.850   5.850
   87   2HH2  ARG   9          1HH1      ARG   9   1.795   4.481   4.481
   88    H    ASP  10           HN       ASP  10   5.782   4.769   4.769
   89    HA   ASP  10           HA       ASP  10   7.632   3.730   3.730
   90   1HB   ASP  10          2HB       ASP  10   8.053   4.188   4.188
   91   2HB   ASP  10          3HB       ASP  10   7.619   2.489   2.489
   92    H    TRP  11           HN       TRP  11   6.939   2.412   2.412
   93    HA   TRP  11           HA       TRP  11   5.542  -0.099  -0.099
   94   1HB   TRP  11          2HB       TRP  11   4.714   1.384   1.384
   95   2HB   TRP  11          3HB       TRP  11   5.954   0.916   0.916
   96    HD1  TRP  11           HD1      TRP  11   6.181  -2.020  -2.020
   97    HE1  TRP  11           HE1      TRP  11   4.417  -3.586  -3.586
   98    HE3  TRP  11           HE3      TRP  11   2.554   1.104   1.104
   99    HZ2  TRP  11           HZ2      TRP  11   1.692  -3.159  -3.159
  100    HZ3  TRP  11           HZ3      TRP  11   0.002   0.154   0.154
  101    HH2  TRP  11           HH2      TRP  11  -0.309  -1.696  -1.696
  102    H    ILE  12           HN       ILE  12   6.218  -2.106  -2.106
  103    HA   ILE  12           HA       ILE  12   9.130  -2.615  -2.615
  104    HB   ILE  12           HB       ILE  12   6.720  -4.219  -4.219
  105   1HG1  ILE  12          2HG1      ILE  12   7.060  -2.071  -2.071
  106   2HG1  ILE  12          3HG1      ILE  12   7.167  -3.552  -3.552
  107   1HG2  ILE  12          3HG2      ILE  12   9.689  -4.715  -4.715
  108   2HG2  ILE  12          1HG2      ILE  12   8.570  -5.326  -5.326
  109   3HG2  ILE  12          2HG2      ILE  12   8.404  -5.865  -5.865
  110   1HD1  ILE  12          2HD1      ILE  12   9.612  -2.102  -2.102
  111   2HD1  ILE  12          3HD1      ILE  12   8.903  -1.839  -1.839
  112   3HD1  ILE  12          1HD1      ILE  12   9.579  -3.418  -3.418
  113    H    ASP  13           HN       ASP  13   8.634  -2.353  -2.353
  114    HA   ASP  13           HA       ASP  13   7.146  -4.582  -4.582
  115   1HB   ASP  13          2HB       ASP  13   7.513  -3.515  -3.515
  116   2HB   ASP  13          3HB       ASP  13   6.807  -2.414  -2.414
  117    H    GLU  14           HN       GLU  14   8.857  -5.977  -5.977
  118    HA   GLU  14           HA       GLU  14  10.979  -6.828  -6.828
  119   1HB   GLU  14          2HB       GLU  14  10.364  -7.815  -7.815
  120   2HB   GLU  14          3HB       GLU  14  11.731  -8.254  -8.254
  121   1HG   GLU  14          2HG       GLU  14  11.481  -5.311  -5.311
  122   2HG   GLU  14          3HG       GLU  14  11.613  -6.234  -6.234
  123    H    CYS  15           HN       CYS  15   8.585  -8.323  -8.323
  124    HA   CYS  15           HA       CYS  15   7.831 -10.715 -10.715
  125   1HB   CYS  15          2HB       CYS  15   5.938  -8.354  -8.354
  126   2HB   CYS  15          3HB       CYS  15   5.428 -10.037 -10.037
  127    H    ASP  16           HN       ASP  16   7.466 -11.857 -11.857
  128    HA   ASP  16           HA       ASP  16   6.963 -10.244 -10.244
  129   1HB   ASP  16          2HB       ASP  16   8.710 -12.296 -12.296
  130   2HB   ASP  16          3HB       ASP  16   7.336 -13.186 -13.186
  131    H    SER  17           HN       SER  17   5.823 -11.946 -11.946
  132    HA   SER  17           HA       SER  17   3.025 -11.792 -11.792
  133   1HB   SER  17          2HB       SER  17   3.017 -13.468 -13.468
  134   2HB   SER  17          3HB       SER  17   3.887 -11.969 -11.969
  135    HG   SER  17           HG       SER  17   5.871 -13.046 -13.046
  136    H    ASN  18           HN       ASN  18   1.626 -13.100 -13.100
  137    HA   ASN  18           HA       ASN  18   0.580 -15.040 -15.040
  138   1HB   ASN  18          2HB       ASN  18   2.016 -16.460 -16.460
  139   2HB   ASN  18          3HB       ASN  18   3.221 -16.550 -16.550
  140   1HD2  ASN  18          2HD2      ASN  18   1.500 -18.790 -18.790
  141   2HD2  ASN  18          1HD2      ASN  18   2.801 -17.684 -17.684
  142    H    GLU  19           HN       GLU  19   3.801 -14.447 -14.447
  143    HA   GLU  19           HA       GLU  19   2.834 -14.763 -14.763
  144   1HB   GLU  19          2HB       GLU  19   5.392 -14.985 -14.985
  145   2HB   GLU  19          3HB       GLU  19   5.531 -13.949 -13.949
  146   1HG   GLU  19          2HG       GLU  19   6.049 -16.397 -16.397
  147   2HG   GLU  19          3HG       GLU  19   5.008 -15.522 -15.522
  148    H    GLY  20           HN       GLY  20   1.877 -12.683 -12.683
  149   1HA   GLY  20          1HA       GLY  20   3.324 -10.217 -10.217
  150   2HA   GLY  20          2HA       GLY  20   2.428 -10.565 -10.565
  151    H    GLY  21           HN       GLY  21   0.264 -11.728 -11.728
  152   1HA   GLY  21          1HA       GLY  21  -1.765 -10.875 -10.875
  153   2HA   GLY  21          2HA       GLY  21  -1.064  -9.250  -9.250
  154    H    GLU  22           HN       GLU  22  -2.048  -8.066  -8.066
  155    HA   GLU  22           HA       GLU  22  -2.613  -8.959  -8.959
  156   1HB   GLU  22          2HB       GLU  22  -4.218  -6.993  -6.993
  157   2HB   GLU  22          3HB       GLU  22  -4.715  -8.338  -8.338
  158   1HG   GLU  22          2HG       GLU  22  -3.484  -6.715  -6.715
  159   2HG   GLU  22          3HG       GLU  22  -4.112  -5.541  -5.541
  160    H    ARG  23           HN       ARG  23  -2.462  -6.818  -6.818
  161    HA   ARG  23           HA       ARG  23   0.182  -5.605  -5.605
  162   1HB   ARG  23          2HB       ARG  23  -1.017  -6.677  -6.677
  163   2HB   ARG  23          3HB       ARG  23  -0.491  -4.988  -4.988
  164   1HG   ARG  23          2HG       ARG  23   1.766  -5.746  -5.746
  165   2HG   ARG  23          3HG       ARG  23   1.128  -7.340  -7.340
  166   1HD   ARG  23          2HD       ARG  23   2.493  -6.962  -6.962
  167   2HD   ARG  23          3HD       ARG  23   0.795  -7.058  -7.058
  168    HE   ARG  23           HE       ARG  23   1.458  -4.328  -4.328
  169   1HH1  ARG  23          2HH2      ARG  23   2.439  -6.859  -6.859
  170   2HH1  ARG  23          1HH2      ARG  23   3.070  -5.653  -5.653
  171   1HH2  ARG  23          2HH1      ARG  23   1.996  -2.915  -2.915
  172   2HH2  ARG  23          1HH1      ARG  23   2.816  -3.427  -3.427
  173    H    ALA  24           HN       ALA  24   0.091  -3.353  -3.353
  174    HA   ALA  24           HA       ALA  24  -2.393  -1.931  -1.931
  175   1HB   ALA  24          1HB       ALA  24  -2.224  -2.146  -2.146
  176   2HB   ALA  24          2HB       ALA  24  -0.868  -0.994  -0.994
  177   3HB   ALA  24          3HB       ALA  24  -2.487  -0.541  -0.541
  178    H    TYR  25           HN       TYR  25  -1.667   0.616   0.616
  179    HA   TYR  25           HA       TYR  25   0.839   0.967   0.967
  180   1HB   TYR  25          2HB       TYR  25  -1.997   1.615   1.615
  181   2HB   TYR  25          3HB       TYR  25  -0.541   1.986   1.986
  182    HD1  TYR  25           HD1      TYR  25  -2.939  -0.554  -0.554
  183    HD2  TYR  25           HD2      TYR  25   0.468   0.101   0.101
  184    HE1  TYR  25           HE1      TYR  25  -3.012  -2.908  -2.908
  185    HE2  TYR  25           HE2      TYR  25   0.119  -2.153  -2.153
  186    HH   TYR  25           HH       TYR  25  -0.981  -4.273  -4.273
  187    H    PHE  26           HN       PHE  26   1.724   2.858   2.858
  188    HA   PHE  26           HA       PHE  26   0.109   5.138   5.138
  189   1HB   PHE  26          2HB       PHE  26   2.205   3.770   3.770
  190   2HB   PHE  26          3HB       PHE  26   1.752   5.409   5.409
  191    HD1  PHE  26          1HD       PHE  26  -1.447   4.526   4.526
  192    HD2  PHE  26          2HD       PHE  26   1.557   3.741   3.741
  193    HE1  PHE  26          1HE       PHE  26  -2.618   2.496   2.496
  194    HE2  PHE  26          2HE       PHE  26  -0.092   2.231   2.231
  195    HZ   PHE  26           HZ       PHE  26  -1.835   1.220   1.220
  196    H    ARG  27           HN       ARG  27   1.444   7.119   7.119
  197    HA   ARG  27           HA       ARG  27   2.444   7.439   7.439
  198   1HB   ARG  27          2HB       ARG  27   1.491   9.213   9.213
  199   2HB   ARG  27          3HB       ARG  27   3.066   9.316   9.316
  200   1HG   ARG  27          2HG       ARG  27   3.048   9.527   9.527
  201   2HG   ARG  27          3HG       ARG  27   2.081  10.761  10.761
  202   1HD   ARG  27          2HD       ARG  27   4.963  10.159  10.159
  203   2HD   ARG  27          3HD       ARG  27   4.555  11.362  11.362
  204    HE   ARG  27           HE       ARG  27   4.366  11.587  11.587
  205   1HH1  ARG  27          2HH2      ARG  27   3.005  12.830  12.830
  206   2HH1  ARG  27          1HH2      ARG  27   2.399  14.275  14.275
  207   1HH2  ARG  27          2HH1      ARG  27   3.783  13.648  13.648
  208   2HH2  ARG  27          1HH1      ARG  27   3.533  14.941  14.941
  209    H    ASN  28           HN       ASN  28   4.582   7.763   7.763
  210    HA   ASN  28           HA       ASN  28   6.854   7.288   7.288
  211   1HB   ASN  28          2HB       ASN  28   8.065   6.129   6.129
  212   2HB   ASN  28          3HB       ASN  28   6.504   5.358   5.358
  213   1HD2  ASN  28          2HD2      ASN  28   6.369   4.928   4.928
  214   2HD2  ASN  28          1HD2      ASN  28   7.061   4.251   4.251
  215    H    GLY  29           HN       GLY  29   8.793   8.395   8.395
  216   1HA   GLY  29          1HA       GLY  29   8.204  11.102  11.102
  217   2HA   GLY  29          2HA       GLY  29   9.661  10.537  10.537
  218    H    LYS  30           HN       LYS  30   7.896   9.394   9.394
  219    HA   LYS  30           HA       LYS  30  10.342   9.780   9.780
  220   1HB   LYS  30          2HB       LYS  30   8.383   7.432   7.432
  221   2HB   LYS  30          3HB       LYS  30   9.828   7.682   7.682
  222   1HG   LYS  30          2HG       LYS  30   9.844   7.237   7.237
  223   2HG   LYS  30          3HG       LYS  30  10.065   5.989   5.989
  224   1HD   LYS  30          2HD       LYS  30  12.029   7.057   7.057
  225   2HD   LYS  30          3HD       LYS  30  11.896   8.417   8.417
  226   1HE   LYS  30          2HE       LYS  30  12.173   5.544   5.544
  227   2HE   LYS  30          3HE       LYS  30  13.566   6.545   6.545
  228   1HZ   LYS  30          3HZ       LYS  30  12.932   8.135   8.135
  229   2HZ   LYS  30          1HZ       LYS  30  11.616   7.244   7.244
  230   3HZ   LYS  30          2HZ       LYS  30  13.116   6.645   6.645
  231    H    GLY  31           HN       GLY  31   7.274   8.608   8.608
  232   1HA   GLY  31          1HA       GLY  31   6.143  11.351  11.351
  233   2HA   GLY  31          2HA       GLY  31   6.409  10.400  10.400
  234    H    GLY  32           HN       GLY  32   5.713   7.929   7.929
  235   1HA   GLY  32          1HA       GLY  32   2.742   8.127   8.127
  236   2HA   GLY  32          2HA       GLY  32   3.758   6.709   6.709
  237    H    CYS  33           HN       CYS  33   2.820   5.363   5.363
  238    HA   CYS  33           HA       CYS  33   3.140   6.053   6.053
  239   1HB   CYS  33          2HB       CYS  33   1.089   4.174   4.174
  240   2HB   CYS  33          3HB       CYS  33   1.455   4.341   4.341
  241    H    ASP  34           HN       ASP  34   3.906   4.349   4.349
  242    HA   ASP  34           HA       ASP  34   5.517   2.232   2.232
  243   1HB   ASP  34          2HB       ASP  34   5.501   3.565   3.565
  244   2HB   ASP  34          3HB       ASP  34   5.850   1.850   1.850
  245    H    SER  35           HN       SER  35   5.289   0.179   0.179
  246    HA   SER  35           HA       SER  35   2.618  -0.338  -0.338
  247   1HB   SER  35          2HB       SER  35   2.539  -0.725  -0.725
  248   2HB   SER  35          3HB       SER  35   3.758  -1.991  -1.991
  249    HG   SER  35           HG       SER  35   1.284  -1.953  -1.953
  250    H    PHE  36           HN       PHE  36   2.567  -2.500  -2.500
  251    HA   PHE  36           HA       PHE  36   4.979  -3.964  -3.964
  252   1HB   PHE  36          2HB       PHE  36   4.679  -3.231  -3.231
  253   2HB   PHE  36          3HB       PHE  36   5.676  -2.338  -2.338
  254    HD1  PHE  36          2HD       PHE  36   1.953  -1.772  -1.772
  255    HD2  PHE  36          1HD       PHE  36   5.869  -0.386  -0.386
  256    HE1  PHE  36          2HE       PHE  36   0.988   0.362   0.362
  257    HE2  PHE  36          1HE       PHE  36   4.844   1.698   1.698
  258    HZ   PHE  36           HZ       PHE  36   2.380   1.923   1.923
  259    H    TRP  37           HN       TRP  37   4.575  -5.701  -5.701
  260    HA   TRP  37           HA       TRP  37   1.861  -6.649  -6.649
  261   1HB   TRP  37          2HB       TRP  37   4.598  -7.557  -7.557
  262   2HB   TRP  37          3HB       TRP  37   3.110  -8.487  -8.487
  263    HD1  TRP  37           HD1      TRP  37   6.064  -7.675  -7.675
  264    HE1  TRP  37           HE1      TRP  37   5.859  -8.672  -8.672
  265    HE3  TRP  37           HE3      TRP  37   1.221  -9.265  -9.265
  266    HZ2  TRP  37           HZ2      TRP  37   3.700  -9.665  -9.665
  267    HZ3  TRP  37           HZ3      TRP  37   0.055 -10.010 -10.010
  268    HH2  TRP  37           HH2      TRP  37   1.295 -10.362 -10.362
  269    H    ILE  38           HN       ILE  38   0.969  -6.412  -6.412
  270    HA   ILE  38           HA       ILE  38   2.290  -4.306  -4.306
  271    HB   ILE  38           HB       ILE  38  -0.088  -5.808  -5.808
  272   1HG1  ILE  38          2HG1      ILE  38  -0.305  -3.764  -3.764
  273   2HG1  ILE  38          3HG1      ILE  38  -0.714  -5.427  -5.427
  274   1HG2  ILE  38          2HG2      ILE  38   1.102  -4.019  -4.019
  275   2HG2  ILE  38          3HG2      ILE  38   0.750  -2.858  -2.858
  276   3HG2  ILE  38          1HG2      ILE  38  -0.566  -3.605  -3.605
  277   1HD1  ILE  38          2HD1      ILE  38  -2.427  -5.074  -5.074
  278   2HD1  ILE  38          3HD1      ILE  38  -2.026  -3.341  -3.341
  279   3HD1  ILE  38          1HD1      ILE  38  -2.728  -4.189  -4.189
  280    H    CYS  39           HN       CYS  39   2.200  -7.731  -7.731
  281    HA   CYS  39           HA       CYS  39   3.060  -9.461  -9.461
  282   1HB   CYS  39          2HB       CYS  39   3.293  -7.713  -7.713
  283   2HB   CYS  39          3HB       CYS  39   3.886  -9.348  -9.348
  284    HA   PRO  40           HA       PRO  40  -1.066 -10.059 -10.059
  285   1HB   PRO  40          2HB       PRO  40  -0.849 -12.465 -12.465
  286   2HB   PRO  40          3HB       PRO  40  -0.901 -12.289 -12.289
  287   1HG   PRO  40          2HG       PRO  40   1.536 -12.665 -12.665
  288   2HG   PRO  40          3HG       PRO  40   1.133 -13.451 -13.451
  289   1HD   PRO  40          2HD       PRO  40   2.830 -11.297 -11.297
  290   2HD   PRO  40          3HD       PRO  40   1.776 -11.574 -11.574
  291    H    GLU  41           HN       GLU  41   1.872 -10.375 -10.375
  292    HA   GLU  41           HA       GLU  41   1.284 -10.138 -10.138
  293   1HB   GLU  41          2HB       GLU  41   3.517 -10.150 -10.150
  294   2HB   GLU  41          3HB       GLU  41   3.266  -8.439  -8.439
  295   1HG   GLU  41          2HG       GLU  41   4.788  -8.653  -8.653
  296   2HG   GLU  41          3HG       GLU  41   3.262  -8.035  -8.035
  297    H    ASP  42           HN       ASP  42   1.450  -7.383  -7.383
  298    HA   ASP  42           HA       ASP  42   0.602  -5.586  -5.586
  299   1HB   ASP  42          2HB       ASP  42   2.986  -5.609  -5.609
  300   2HB   ASP  42          3HB       ASP  42   2.176  -4.748  -4.748
  301    H    HIS  43           HN       HIS  43  -1.561  -6.668  -6.668
  302    HA   HIS  43           HA       HIS  43  -2.367  -5.388  -5.388
  303   1HB   HIS  43          2HB       HIS  43  -3.920  -6.454  -6.454
  304   2HB   HIS  43          3HB       HIS  43  -4.719  -5.763  -5.763
  305    HD1  HIS  43           HD1      HIS  43  -5.579  -8.524  -8.524
  306    HD2  HIS  43           HD2      HIS  43  -2.016  -7.456  -7.456
  307    HE1  HIS  43           HE1      HIS  43  -5.135 -10.341 -10.341
  308    H    THR  44           HN       THR  44  -2.541  -4.000  -4.000
  309    HA   THR  44           HA       THR  44  -2.709  -1.832  -1.832
  310    HB   THR  44           HB       THR  44  -0.577  -2.088  -2.088
  311    HG1  THR  44          1HG       THR  44  -0.100  -0.112  -0.112
  312   1HG2  THR  44          2HG2      THR  44  -1.907  -0.591  -0.591
  313   2HG2  THR  44          3HG2      THR  44  -0.163  -0.846  -0.846
  314   3HG2  THR  44          1HG2      THR  44  -1.228  -2.195  -2.195
  315    H    GLY  45           HN       GLY  45  -5.126  -2.691  -2.691
  316   1HA   GLY  45          1HA       GLY  45  -7.164  -1.977  -1.977
  317   2HA   GLY  45          2HA       GLY  45  -6.628  -0.334  -0.334
  318    H    ALA  46           HN       ALA  46  -5.223  -2.534  -2.534
  319    HA   ALA  46           HA       ALA  46  -5.107  -0.408  -0.408
  320   1HB   ALA  46          2HB       ALA  46  -4.232  -3.312  -3.312
  321   2HB   ALA  46          3HB       ALA  46  -3.955  -2.087  -2.087
  322   3HB   ALA  46          1HB       ALA  46  -3.199  -1.880  -1.880
  323    H    ASP  47           HN       ASP  47  -7.403  -0.235  -0.235
  324    HA   ASP  47           HA       ASP  47  -8.802  -1.731  -1.731
  325   1HB   ASP  47          2HB       ASP  47 -10.213  -0.401  -0.401
  326   2HB   ASP  47          3HB       ASP  47  -9.197   1.042   1.042
  327    H    TYR  48           HN       TYR  48  -7.650   1.638   1.638
  328    HA   TYR  48           HA       TYR  48  -6.406   2.864   2.864
  329   1HB   TYR  48          2HB       TYR  48  -4.860   0.245   0.245
  330   2HB   TYR  48          3HB       TYR  48  -4.209   1.632   1.632
  331    HD1  TYR  48           HD2      TYR  48  -4.601   3.964   3.964
  332    HD2  TYR  48           HD1      TYR  48  -3.430   0.093   0.093
  333    HE1  TYR  48           HE2      TYR  48  -3.306   4.987   4.987
  334    HE2  TYR  48           HE1      TYR  48  -2.203   1.087   1.087
  335    HH   TYR  48           HH       TYR  48  -1.818   3.065   3.065
  336    H    TYR  49           HN       TYR  49  -4.816   1.488   1.488
  337    HA   TYR  49           HA       TYR  49  -7.059   1.593   1.593
  338   1HB   TYR  49          2HB       TYR  49  -4.144   2.497   2.497
  339   2HB   TYR  49          3HB       TYR  49  -5.208   2.369   2.369
  340    HD1  TYR  49           HD1      TYR  49  -7.718   3.504   3.504
  341    HD2  TYR  49           HD2      TYR  49  -3.920   4.714   4.714
  342    HE1  TYR  49           HE1      TYR  49  -8.646   5.711   5.711
  343    HE2  TYR  49           HE2      TYR  49  -4.912   6.917   6.917
  344    HH   TYR  49           HH       TYR  49  -8.264   7.755   7.755
  345    H    SER  50           HN       SER  50  -7.264  -0.125  -0.125
  346    HA   SER  50           HA       SER  50  -5.741  -2.492  -2.492
  347   1HB   SER  50          2HB       SER  50  -7.889  -3.557  -3.557
  348   2HB   SER  50          3HB       SER  50  -7.973  -2.644  -2.644
  349    HG   SER  50           HG       SER  50  -8.882  -1.873  -1.873
  350    H    SER  51           HN       SER  51  -6.122  -0.531  -0.531
  351    HA   SER  51           HA       SER  51  -4.291  -2.508  -2.508
  352   1HB   SER  51          2HB       SER  51  -5.254  -2.093  -2.093
  353   2HB   SER  51          3HB       SER  51  -6.553  -2.585  -2.585
  354    HG   SER  51           HG       SER  51  -6.937  -0.268  -0.268
  355    H    TYR  52           HN       TYR  52  -3.145  -1.265  -1.265
  356    HA   TYR  52           HA       TYR  52  -1.621   0.849   0.849
  357   1HB   TYR  52          2HB       TYR  52  -0.695  -0.855  -0.855
  358   2HB   TYR  52          3HB       TYR  52  -1.601  -0.027  -0.027
  359    HD1  TYR  52           HD1      TYR  52  -1.123   2.504   2.504
  360    HD2  TYR  52           HD2      TYR  52   1.428  -0.076  -0.076
  361    HE1  TYR  52           HE1      TYR  52   0.586   4.278   4.278
  362    HE2  TYR  52           HE2      TYR  52   3.175   1.647   1.647
  363    HH   TYR  52           HH       TYR  52   3.754   3.713   3.713
  364    H    ARG  53           HN       ARG  53  -3.903   0.637   0.637
  365    HA   ARG  53           HA       ARG  53  -3.827   3.316   3.316
  366   1HB   ARG  53          2HB       ARG  53  -4.974   1.322   1.322
  367   2HB   ARG  53          3HB       ARG  53  -6.383   1.673   1.673
  368   1HG   ARG  53          2HG       ARG  53  -6.860   3.627   3.627
  369   2HG   ARG  53          3HG       ARG  53  -5.173   4.000   4.000
  370   1HD   ARG  53          2HD       ARG  53  -5.041   2.263   2.263
  371   2HD   ARG  53          3HD       ARG  53  -6.694   1.704   1.704
  372    HE   ARG  53           HE       ARG  53  -7.070   4.338   4.338
  373   1HH1  ARG  53          2HH2      ARG  53  -5.658   1.485   1.485
  374   2HH1  ARG  53          1HH2      ARG  53  -5.643   2.178   2.178
  375   1HH2  ARG  53          2HH1      ARG  53  -7.046   5.289   5.289
  376   2HH2  ARG  53          1HH1      ARG  53  -6.444   4.385   4.385
  377    H    ASP  54           HN       ASP  54  -5.591   1.741   1.741
  378    HA   ASP  54           HA       ASP  54  -7.329   3.885   3.885
  379   1HB   ASP  54          2HB       ASP  54  -5.999   1.848   1.848
  380   2HB   ASP  54          3HB       ASP  54  -7.192   3.036   3.036
  381    H    CYS  55           HN       CYS  55  -4.118   3.135   3.135
  382    HA   CYS  55           HA       CYS  55  -3.949   5.587   5.587
  383   1HB   CYS  55          2HB       CYS  55  -2.545   3.728   3.728
  384   2HB   CYS  55          3HB       CYS  55  -1.710   3.839   3.839
  385    H    PHE  56           HN       PHE  56  -2.868   4.758   4.758
  386    HA   PHE  56           HA       PHE  56  -1.666   7.164   7.164
  387   1HB   PHE  56          2HB       PHE  56  -1.791   5.141   5.141
  388   2HB   PHE  56          3HB       PHE  56  -3.475   5.511   5.511
  389    HD1  PHE  56          1HD       PHE  56   0.033   6.596   6.596
  390    HD2  PHE  56          2HD       PHE  56  -4.118   7.278   7.278
  391    HE1  PHE  56          1HE       PHE  56   0.709   8.132   8.132
  392    HE2  PHE  56          2HE       PHE  56  -3.422   8.900   8.900
  393    HZ   PHE  56           HZ       PHE  56  -1.011   9.359   9.359
  394    H    ASN  57           HN       ASN  57  -5.212   6.407   6.407
  395    HA   ASN  57           HA       ASN  57  -5.547   9.174   9.174
  396   1HB   ASN  57          2HB       ASN  57  -7.812   8.677   8.677
  397   2HB   ASN  57          3HB       ASN  57  -6.962   7.194   7.194
  398   1HD2  ASN  57          2HD2      ASN  57  -8.560   5.266   5.266
  399   2HD2  ASN  57          1HD2      ASN  57  -7.248   5.333   5.333
  400    H    ALA  58           HN       ALA  58  -5.908   7.468   7.468
  401    HA   ALA  58           HA       ALA  58  -7.586   9.444   9.444
  402   1HB   ALA  58          1HB       ALA  58  -5.649   7.379   7.379
  403   2HB   ALA  58          2HB       ALA  58  -6.840   8.304   8.304
  404   3HB   ALA  58          3HB       ALA  58  -7.389   7.136   7.136
  405    H    CYS  59           HN       CYS  59  -4.151   9.322   9.322
  406    HA   CYS  59           HA       CYS  59  -3.628  11.430  11.430
  407   1HB   CYS  59          2HB       CYS  59  -3.179   9.023   9.023
  408   2HB   CYS  59          3HB       CYS  59  -1.935   9.026   9.026
  409    H    ILE  60           HN       ILE  60  -2.974  10.500  10.500
  410    HA   ILE  60           HA       ILE  60  -0.514  12.186  12.186
  411    HB   ILE  60           HB       ILE  60  -1.612  10.305  10.305
  412   1HG1  ILE  60          2HG1      ILE  60  -0.984   9.036   9.036
  413   2HG1  ILE  60          3HG1      ILE  60   0.168   8.771   8.771
  414   1HG2  ILE  60          3HG2      ILE  60   1.023  11.799  11.799
  415   2HG2  ILE  60          1HG2      ILE  60   0.689  10.510  10.510
  416   3HG2  ILE  60          2HG2      ILE  60  -0.223  12.029  12.029
  417   1HD1  ILE  60          2HD1      ILE  60   1.771  10.295  10.295
  418   2HD1  ILE  60          3HD1      ILE  60   0.569  10.532  10.532
  419   3HD1  ILE  60          1HD1      ILE  60   1.254   8.939   8.939

  Start of MODEL   16
    1    H    TYR   1           HN       TYR   1  -9.776  10.077  10.077
    2    HA   TYR   1           HA       TYR   1  -8.810  10.507  10.507
    3   1HB   TYR   1          2HB       TYR   1  -7.739  12.668  12.668
    4   2HB   TYR   1          3HB       TYR   1  -6.679  11.869  11.869
    5    HD1  TYR   1           HD1      TYR   1  -7.672  11.485  11.485
    6    HD2  TYR   1           HD2      TYR   1  -4.497  11.498  11.498
    7    HE1  TYR   1           HE1      TYR   1  -6.013  11.108  11.108
    8    HE2  TYR   1           HE2      TYR   1  -2.846  11.165  11.165
    9    HH   TYR   1           HH       TYR   1  -2.622  11.071  11.071
   10    H    ASN   2           HN       ASN   2  -8.709   8.276   8.276
   11    HA   ASN   2           HA       ASN   2  -6.768   6.680   6.680
   12   1HB   ASN   2          2HB       ASN   2  -8.180   6.072   6.072
   13   2HB   ASN   2          3HB       ASN   2  -7.272   4.942   4.942
   14   1HD2  ASN   2          2HD2      ASN   2 -11.122   5.014   5.014
   15   2HD2  ASN   2          1HD2      ASN   2 -10.215   5.027   5.027
   16    H    ARG   3           HN       ARG   3  -4.686   7.332   7.332
   17    HA   ARG   3           HA       ARG   3  -3.615   8.457   8.457
   18   1HB   ARG   3          2HB       ARG   3  -2.909   9.094   9.094
   19   2HB   ARG   3          3HB       ARG   3  -2.275   7.455   7.455
   20   1HG   ARG   3          2HG       ARG   3  -0.820   7.780   7.780
   21   2HG   ARG   3          3HG       ARG   3  -1.396   9.452   9.452
   22   1HD   ARG   3          2HD       ARG   3   0.073   8.222   8.222
   23   2HD   ARG   3          3HD       ARG   3   0.758   9.342   9.342
   24    HE   ARG   3           HE       ARG   3  -1.354  10.792  10.792
   25   1HH1  ARG   3          2HH2      ARG   3   1.550   9.276   9.276
   26   2HH1  ARG   3          1HH2      ARG   3   1.542  10.273  10.273
   27   1HH2  ARG   3          2HH1      ARG   3  -1.164  12.261  12.261
   28   2HH2  ARG   3          1HH1      ARG   3   0.141  12.188  12.188
   29    H    LEU   4           HN       LEU   4  -4.493   6.631   6.631
   30    HA   LEU   4           HA       LEU   4  -2.775   4.171   4.171
   31   1HB   LEU   4          2HB       LEU   4  -5.404   4.836   4.836
   32   2HB   LEU   4          3HB       LEU   4  -4.480   3.366   3.366
   33    HG   LEU   4           HG       LEU   4  -5.261   4.076   4.076
   34   1HD1  LEU   4          3HD1      LEU   4  -6.917   2.750   2.750
   35   2HD1  LEU   4          1HD1      LEU   4  -7.185   2.445   2.445
   36   3HD1  LEU   4          2HD1      LEU   4  -7.360   4.070   4.070
   37   1HD2  LEU   4          1HD2      LEU   4  -4.645   1.419   1.419
   38   2HD2  LEU   4          2HD2      LEU   4  -3.563   2.274   2.274
   39   3HD2  LEU   4          3HD2      LEU   4  -5.082   1.616   1.616
   40    H    CYS   5           HN       CYS   5  -3.167   7.161   7.161
   41    HA   CYS   5           HA       CYS   5  -1.823   6.279   6.279
   42   1HB   CYS   5          2HB       CYS   5  -2.921   8.357   8.357
   43   2HB   CYS   5          3HB       CYS   5  -2.067   9.000   9.000
   44    H    ILE   6           HN       ILE   6  -0.640   7.400   7.400
   45    HA   ILE   6           HA       ILE   6   2.115   7.599   7.599
   46    HB   ILE   6           HB       ILE   6   1.112   8.039   8.039
   47   1HG1  ILE   6          2HG1      ILE   6  -0.490   9.303   9.303
   48   2HG1  ILE   6          3HG1      ILE   6   0.556  10.355  10.355
   49   1HG2  ILE   6          3HG2      ILE   6   3.412   9.226   9.226
   50   2HG2  ILE   6          1HG2      ILE   6   2.840   9.844   9.844
   51   3HG2  ILE   6          2HG2      ILE   6   3.441   8.192   8.192
   52   1HD1  ILE   6          2HD1      ILE   6   1.055   9.623   9.623
   53   2HD1  ILE   6          3HD1      ILE   6   0.138  11.039  11.039
   54   3HD1  ILE   6          1HD1      ILE   6   1.859  10.896  10.896
   55    H    LYS   7           HN       LYS   7   3.469   5.949   5.949
   56    HA   LYS   7           HA       LYS   7   3.194   3.941   3.941
   57   1HB   LYS   7          2HB       LYS   7   3.505   3.078   3.078
   58   2HB   LYS   7          3HB       LYS   7   4.993   3.974   3.974
   59   1HG   LYS   7          2HG       LYS   7   5.679   2.459   2.459
   60   2HG   LYS   7          3HG       LYS   7   4.405   1.474   1.474
   61   1HD   LYS   7          2HD       LYS   7   5.596   1.534   1.534
   62   2HD   LYS   7          3HD       LYS   7   6.798   2.649   2.649
   63   1HE   LYS   7          2HE       LYS   7   7.561   0.905   0.905
   64   2HE   LYS   7          3HE       LYS   7   6.434  -0.249  -0.249
   65   1HZ   LYS   7          3HZ       LYS   7   7.603   0.027   0.027
   66   2HZ   LYS   7          1HZ       LYS   7   8.665   1.088   1.088
   67   3HZ   LYS   7          2HZ       LYS   7   8.644  -0.462  -0.462
   68    HA   PRO   8           HA       PRO   8   7.665   4.907   4.907
   69   1HB   PRO   8          2HB       PRO   8   8.764   7.292   7.292
   70   2HB   PRO   8          3HB       PRO   8   8.425   5.959   5.959
   71   1HG   PRO   8          2HG       PRO   8   6.704   8.405   8.405
   72   2HG   PRO   8          3HG       PRO   8   7.201   7.688   7.688
   73   1HD   PRO   8          2HD       PRO   8   4.761   7.127   7.127
   74   2HD   PRO   8          3HD       PRO   8   5.554   5.912   5.912
   75    H    ARG   9           HN       ARG   9   7.420   4.812   4.812
   76    HA   ARG   9           HA       ARG   9   8.157   5.555   5.555
   77   1HB   ARG   9          2HB       ARG   9   7.857   7.581   7.581
   78   2HB   ARG   9          3HB       ARG   9   8.154   7.952   7.952
   79   1HG   ARG   9          2HG       ARG   9   5.459   7.769   7.769
   80   2HG   ARG   9          3HG       ARG   9   5.634   8.174   8.174
   81   1HD   ARG   9          2HD       ARG   9   6.634  10.295  10.295
   82   2HD   ARG   9          3HD       ARG   9   6.878   9.821   9.821
   83    HE   ARG   9           HE       ARG   9   4.144   9.527   9.527
   84   1HH1  ARG   9          2HH2      ARG   9   6.455  11.980  11.980
   85   2HH1  ARG   9          1HH2      ARG   9   5.197  13.019  13.019
   86   1HH2  ARG   9          2HH1      ARG   9   2.624  10.724  10.724
   87   2HH2  ARG   9          1HH1      ARG   9   2.844  12.404  12.404
   88    H    ASP  10           HN       ASP  10   5.356   4.631   4.631
   89    HA   ASP  10           HA       ASP  10   4.007   4.091   4.091
   90   1HB   ASP  10          2HB       ASP  10   1.878   4.314   4.314
   91   2HB   ASP  10          3HB       ASP  10   2.778   5.824   5.824
   92    H    TRP  11           HN       TRP  11   4.983   2.875   2.875
   93    HA   TRP  11           HA       TRP  11   4.373   0.087   0.087
   94   1HB   TRP  11          2HB       TRP  11   2.719   0.703   0.703
   95   2HB   TRP  11          3HB       TRP  11   3.750   1.562   1.562
   96    HD1  TRP  11           HD1      TRP  11   5.749  -1.091  -1.091
   97    HE1  TRP  11           HE1      TRP  11   4.900  -2.875  -2.875
   98    HE3  TRP  11           HE3      TRP  11   0.804  -0.062  -0.062
   99    HZ2  TRP  11           HZ2      TRP  11   2.451  -3.358  -3.358
  100    HZ3  TRP  11           HZ3      TRP  11  -0.803  -1.422  -1.422
  101    HH2  TRP  11           HH2      TRP  11   0.096  -2.622  -2.622
  102    H    ILE  12           HN       ILE  12   6.344  -0.798  -0.798
  103    HA   ILE  12           HA       ILE  12   8.417  -0.834  -0.834
  104    HB   ILE  12           HB       ILE  12   8.198  -1.224  -1.224
  105   1HG1  ILE  12          2HG1      ILE  12   9.145   0.790   0.790
  106   2HG1  ILE  12          3HG1      ILE  12   9.858   0.206   0.206
  107   1HG2  ILE  12          2HG2      ILE  12  10.250  -2.901  -2.901
  108   2HG2  ILE  12          3HG2      ILE  12  10.195  -2.531  -2.531
  109   3HG2  ILE  12          1HG2      ILE  12   8.885  -3.432  -3.432
  110   1HD1  ILE  12          1HD1      ILE  12  10.860  -0.522  -0.522
  111   2HD1  ILE  12          2HD1      ILE  12  11.547   0.775   0.775
  112   3HD1  ILE  12          3HD1      ILE  12  11.670  -0.907  -0.907
  113    H    ASP  13           HN       ASP  13   5.659  -2.189  -2.189
  114    HA   ASP  13           HA       ASP  13   6.552  -4.995  -4.995
  115   1HB   ASP  13          2HB       ASP  13   4.117  -5.400  -5.400
  116   2HB   ASP  13          3HB       ASP  13   4.853  -4.356  -4.356
  117    H    GLU  14           HN       GLU  14   7.691  -4.329  -4.329
  118    HA   GLU  14           HA       GLU  14   5.905  -5.107  -5.107
  119   1HB   GLU  14          2HB       GLU  14   7.681  -3.301  -3.301
  120   2HB   GLU  14          3HB       GLU  14   8.804  -4.681  -4.681
  121   1HG   GLU  14          2HG       GLU  14   7.059  -5.639  -5.639
  122   2HG   GLU  14          3HG       GLU  14   6.160  -4.140  -4.140
  123    H    CYS  15           HN       CYS  15   5.568  -7.023  -7.023
  124    HA   CYS  15           HA       CYS  15   7.603  -9.207  -9.207
  125   1HB   CYS  15          2HB       CYS  15   4.741  -9.102  -9.102
  126   2HB   CYS  15          3HB       CYS  15   5.229 -10.594 -10.594
  127    H    ASP  16           HN       ASP  16   6.267 -11.107 -11.107
  128    HA   ASP  16           HA       ASP  16   5.279  -9.847  -9.847
  129   1HB   ASP  16          2HB       ASP  16   6.602 -11.042 -11.042
  130   2HB   ASP  16          3HB       ASP  16   7.567  -9.919  -9.919
  131    H    SER  17           HN       SER  17   4.797 -11.888 -11.888
  132    HA   SER  17           HA       SER  17   2.343 -12.330 -12.330
  133   1HB   SER  17          2HB       SER  17   2.567 -14.585 -14.585
  134   2HB   SER  17          3HB       SER  17   2.575 -12.969 -12.969
  135    HG   SER  17           HG       SER  17   4.947 -14.302 -14.302
  136    H    ASN  18           HN       ASN  18   1.311 -13.123 -13.123
  137    HA   ASN  18           HA       ASN  18   0.183 -14.761 -14.761
  138   1HB   ASN  18          2HB       ASN  18   1.244 -16.447 -16.447
  139   2HB   ASN  18          3HB       ASN  18   2.420 -16.780 -16.780
  140   1HD2  ASN  18          2HD2      ASN  18  -0.879 -17.814 -17.814
  141   2HD2  ASN  18          1HD2      ASN  18  -0.085 -16.257 -16.257
  142    H    GLU  19           HN       GLU  19   3.546 -13.900 -13.900
  143    HA   GLU  19           HA       GLU  19   3.531 -14.735 -14.735
  144   1HB   GLU  19          2HB       GLU  19   5.444 -13.698 -13.698
  145   2HB   GLU  19          3HB       GLU  19   5.482 -12.739 -12.739
  146   1HG   GLU  19          2HG       GLU  19   6.102 -14.561 -14.561
  147   2HG   GLU  19          3HG       GLU  19   5.518 -15.763 -15.763
  148    H    GLY  20           HN       GLY  20   2.240 -13.752 -13.752
  149   1HA   GLY  20          1HA       GLY  20   1.039 -12.181 -12.181
  150   2HA   GLY  20          2HA       GLY  20   2.090 -10.942 -10.942
  151    H    GLY  21           HN       GLY  21   1.552 -10.002 -10.002
  152   1HA   GLY  21          1HA       GLY  21  -1.075  -9.144  -9.144
  153   2HA   GLY  21          2HA       GLY  21   0.173  -8.584  -8.584
  154    H    GLU  22           HN       GLU  22  -1.815  -8.125  -8.125
  155    HA   GLU  22           HA       GLU  22  -1.632  -9.863  -9.863
  156   1HB   GLU  22          2HB       GLU  22  -4.191  -9.475  -9.475
  157   2HB   GLU  22          3HB       GLU  22  -4.248  -8.660  -8.660
  158   1HG   GLU  22          2HG       GLU  22  -3.232 -11.480 -11.480
  159   2HG   GLU  22          3HG       GLU  22  -4.925 -11.103 -11.103
  160    H    ARG  23           HN       ARG  23  -2.662  -8.262  -8.262
  161    HA   ARG  23           HA       ARG  23  -0.365  -6.531  -6.531
  162   1HB   ARG  23          2HB       ARG  23  -2.143  -7.754  -7.754
  163   2HB   ARG  23          3HB       ARG  23  -1.629  -6.115  -6.115
  164   1HG   ARG  23          2HG       ARG  23   0.772  -6.781  -6.781
  165   2HG   ARG  23          3HG       ARG  23   0.160  -8.343  -8.343
  166   1HD   ARG  23          2HD       ARG  23  -0.334  -8.872  -8.872
  167   2HD   ARG  23          3HD       ARG  23  -0.440  -7.199  -7.199
  168    HE   ARG  23           HE       ARG  23   2.233  -7.641  -7.641
  169   1HH1  ARG  23          2HH2      ARG  23  -0.004  -8.617  -8.617
  170   2HH1  ARG  23          1HH2      ARG  23   1.278  -9.118  -9.118
  171   1HH2  ARG  23          2HH1      ARG  23   3.911  -8.483  -8.483
  172   2HH2  ARG  23          1HH1      ARG  23   3.521  -8.710  -8.710
  173    H    ALA  24           HN       ALA  24  -0.361  -4.311  -4.311
  174    HA   ALA  24           HA       ALA  24  -2.926  -2.779  -2.779
  175   1HB   ALA  24          3HB       ALA  24  -2.172  -2.993  -2.993
  176   2HB   ALA  24          1HB       ALA  24  -0.616  -2.270  -2.270
  177   3HB   ALA  24          2HB       ALA  24  -2.098  -1.329  -1.329
  178    H    TYR  25           HN       TYR  25  -2.649  -0.517  -0.517
  179    HA   TYR  25           HA       TYR  25  -0.063   0.142   0.142
  180   1HB   TYR  25          2HB       TYR  25  -2.931   0.792   0.792
  181   2HB   TYR  25          3HB       TYR  25  -1.544   1.621   1.621
  182    HD1  TYR  25           HD1      TYR  25  -3.173  -1.752  -1.752
  183    HD2  TYR  25           HD2      TYR  25  -0.094   0.600   0.600
  184    HE1  TYR  25           HE1      TYR  25  -2.737  -3.589  -3.589
  185    HE2  TYR  25           HE2      TYR  25   0.159  -1.138  -1.138
  186    HH   TYR  25           HH       TYR  25  -0.664  -4.222  -4.222
  187    H    PHE  26           HN       PHE  26   0.903   1.785   1.785
  188    HA   PHE  26           HA       PHE  26  -0.545   3.873   3.873
  189   1HB   PHE  26          2HB       PHE  26   1.834   2.225   2.225
  190   2HB   PHE  26          3HB       PHE  26   1.543   3.828   3.828
  191    HD1  PHE  26          1HD       PHE  26  -1.082   1.112   1.112
  192    HD2  PHE  26          2HD       PHE  26   1.224   3.625   3.625
  193    HE1  PHE  26          1HE       PHE  26  -1.916  -0.113  -0.113
  194    HE2  PHE  26          2HE       PHE  26   0.225   2.476   2.476
  195    HZ   PHE  26           HZ       PHE  26  -1.368   0.594   0.594
  196    H    ARG  27           HN       ARG  27   1.648   5.510   5.510
  197    HA   ARG  27           HA       ARG  27   3.018   5.952   5.952
  198   1HB   ARG  27          2HB       ARG  27   0.866   6.761   6.761
  199   2HB   ARG  27          3HB       ARG  27   0.628   7.419   7.419
  200   1HG   ARG  27          2HG       ARG  27   2.667   8.520   8.520
  201   2HG   ARG  27          3HG       ARG  27   0.975   9.031   9.031
  202   1HD   ARG  27          2HD       ARG  27   1.803   9.282   9.282
  203   2HD   ARG  27          3HD       ARG  27   3.229   9.801   9.801
  204    HE   ARG  27           HE       ARG  27   1.024  11.108  11.108
  205   1HH1  ARG  27          2HH2      ARG  27   2.395  10.887  10.887
  206   2HH1  ARG  27          1HH2      ARG  27   2.080  12.544  12.544
  207   1HH2  ARG  27          2HH1      ARG  27   0.573  13.290  13.290
  208   2HH2  ARG  27          1HH1      ARG  27   0.755  13.911  13.911
  209    H    ASN  28           HN       ASN  28   4.723   7.052   7.052
  210    HA   ASN  28           HA       ASN  28   5.363   8.537   8.537
  211   1HB   ASN  28          2HB       ASN  28   7.662   7.883   7.883
  212   2HB   ASN  28          3HB       ASN  28   6.645   6.446   6.446
  213   1HD2  ASN  28          2HD2      ASN  28   8.753   5.175   5.175
  214   2HD2  ASN  28          1HD2      ASN  28   8.420   5.190   5.190
  215    H    GLY  29           HN       GLY  29   7.244  10.178  10.178
  216   1HA   GLY  29          1HA       GLY  29   5.964  11.863  11.863
  217   2HA   GLY  29          2HA       GLY  29   7.388  12.217  12.217
  218    H    LYS  30           HN       LYS  30   7.326   9.346   9.346
  219    HA   LYS  30           HA       LYS  30   9.821  10.374  10.374
  220   1HB   LYS  30          2HB       LYS  30   9.615   8.063   8.063
  221   2HB   LYS  30          3HB       LYS  30   8.179   7.832   7.832
  222   1HG   LYS  30          2HG       LYS  30   9.403   8.062   8.062
  223   2HG   LYS  30          3HG       LYS  30  10.826   8.705   8.705
  224   1HD   LYS  30          2HD       LYS  30  11.296   6.554   6.554
  225   2HD   LYS  30          3HD       LYS  30   9.702   5.927   5.927
  226   1HE   LYS  30          2HE       LYS  30  11.430   4.971   4.971
  227   2HE   LYS  30          3HE       LYS  30  10.244   5.883   5.883
  228   1HZ   LYS  30          2HZ       LYS  30  12.887   6.981   6.981
  229   2HZ   LYS  30          3HZ       LYS  30  12.511   6.217   6.217
  230   3HZ   LYS  30          1HZ       LYS  30  11.785   7.644   7.644
  231    H    GLY  31           HN       GLY  31   6.939   8.986   8.986
  232   1HA   GLY  31          1HA       GLY  31   6.057  11.303  11.303
  233   2HA   GLY  31          2HA       GLY  31   7.272  10.595  10.595
  234    H    GLY  32           HN       GLY  32   4.970   8.929   8.929
  235   1HA   GLY  32          1HA       GLY  32   3.003   8.060   8.060
  236   2HA   GLY  32          2HA       GLY  32   4.385   6.969   6.969
  237    H    CYS  33           HN       CYS  33   2.526   5.571   5.571
  238    HA   CYS  33           HA       CYS  33   2.550   5.539   5.539
  239   1HB   CYS  33          2HB       CYS  33   0.818   4.151   4.151
  240   2HB   CYS  33          3HB       CYS  33   0.848   3.602   3.602
  241    H    ASP  34           HN       ASP  34   2.572   3.058   3.058
  242    HA   ASP  34           HA       ASP  34   4.559   1.512   1.512
  243   1HB   ASP  34          2HB       ASP  34   5.832   2.950   2.950
  244   2HB   ASP  34          3HB       ASP  34   4.841   2.214   2.214
  245    H    SER  35           HN       SER  35   4.486  -0.676  -0.676
  246    HA   SER  35           HA       SER  35   1.831  -1.493  -1.493
  247   1HB   SER  35          2HB       SER  35   3.074  -3.139  -3.139
  248   2HB   SER  35          3HB       SER  35   1.398  -2.674  -2.674
  249    HG   SER  35           HG       SER  35   2.260  -1.750  -1.750
  250    H    PHE  36           HN       PHE  36   1.979  -2.952  -2.952
  251    HA   PHE  36           HA       PHE  36   4.332  -4.680  -4.680
  252   1HB   PHE  36          2HB       PHE  36   4.668  -3.791  -3.791
  253   2HB   PHE  36          3HB       PHE  36   5.189  -2.701  -2.701
  254    HD1  PHE  36          2HD       PHE  36   2.145  -1.363  -1.363
  255    HD2  PHE  36          1HD       PHE  36   5.068  -2.045  -2.045
  256    HE1  PHE  36          2HE       PHE  36   0.866  -0.014  -0.014
  257    HE2  PHE  36          1HE       PHE  36   4.065  -0.185  -0.185
  258    HZ   PHE  36           HZ       PHE  36   1.814   0.580   0.580
  259    H    TRP  37           HN       TRP  37   4.075  -5.649  -5.649
  260    HA   TRP  37           HA       TRP  37   1.358  -6.805  -6.805
  261   1HB   TRP  37          2HB       TRP  37   4.096  -8.047  -8.047
  262   2HB   TRP  37          3HB       TRP  37   2.547  -8.839  -8.839
  263    HD1  TRP  37           HD1      TRP  37   4.975  -7.524  -7.524
  264    HE1  TRP  37           HE1      TRP  37   4.480  -8.702  -8.702
  265    HE3  TRP  37           HE3      TRP  37   0.606  -9.753  -9.753
  266    HZ2  TRP  37           HZ2      TRP  37   2.400 -10.424 -10.424
  267    HZ3  TRP  37           HZ3      TRP  37  -0.723 -10.934 -10.934
  268    HH2  TRP  37           HH2      TRP  37   0.273 -11.498 -11.498
  269    H    ILE  38           HN       ILE  38   0.690  -6.516  -6.516
  270    HA   ILE  38           HA       ILE  38   2.188  -5.120  -5.120
  271    HB   ILE  38           HB       ILE  38  -0.319  -6.837  -6.837
  272   1HG1  ILE  38          2HG1      ILE  38  -0.572  -3.919  -3.919
  273   2HG1  ILE  38          3HG1      ILE  38  -0.184  -4.750  -4.750
  274   1HG2  ILE  38          3HG2      ILE  38   0.777  -5.950  -5.950
  275   2HG2  ILE  38          1HG2      ILE  38   0.458  -4.325  -4.325
  276   3HG2  ILE  38          2HG2      ILE  38  -0.890  -5.403  -5.403
  277   1HD1  ILE  38          3HD1      ILE  38  -2.587  -5.206  -5.206
  278   2HD1  ILE  38          1HD1      ILE  38  -2.458  -4.270  -4.270
  279   3HD1  ILE  38          2HD1      ILE  38  -2.232  -6.022  -6.022
  280    H    CYS  39           HN       CYS  39   3.156  -6.088  -6.088
  281    HA   CYS  39           HA       CYS  39   3.855  -8.986  -8.986
  282   1HB   CYS  39          2HB       CYS  39   5.667  -6.911  -6.911
  283   2HB   CYS  39          3HB       CYS  39   5.593  -7.104  -7.104
  284    HA   PRO  40           HA       PRO  40   1.516  -9.739  -9.739
  285   1HB   PRO  40          2HB       PRO  40   2.811 -11.571 -11.571
  286   2HB   PRO  40          3HB       PRO  40   2.173 -11.945 -11.945
  287   1HG   PRO  40          2HG       PRO  40   4.997 -11.261 -11.261
  288   2HG   PRO  40          3HG       PRO  40   4.464 -12.565 -12.565
  289   1HD   PRO  40          2HD       PRO  40   5.385 -10.117 -10.117
  290   2HD   PRO  40          3HD       PRO  40   4.165 -11.004 -11.004
  291    H    GLU  41           HN       GLU  41   4.728  -8.631  -8.631
  292    HA   GLU  41           HA       GLU  41   4.615  -7.960  -7.960
  293   1HB   GLU  41          2HB       GLU  41   6.500  -7.625  -7.625
  294   2HB   GLU  41          3HB       GLU  41   5.647  -6.284  -6.284
  295   1HG   GLU  41          2HG       GLU  41   5.723  -4.922  -4.922
  296   2HG   GLU  41          3HG       GLU  41   6.168  -6.278  -6.278
  297    H    ASP  42           HN       ASP  42   2.757  -6.416  -6.416
  298    HA   ASP  42           HA       ASP  42   1.165  -4.994  -4.994
  299   1HB   ASP  42          2HB       ASP  42   2.870  -3.696  -3.696
  300   2HB   ASP  42          3HB       ASP  42   1.223  -3.123  -3.123
  301    H    HIS  43           HN       HIS  43  -0.916  -4.353  -4.353
  302    HA   HIS  43           HA       HIS  43  -1.487  -5.210  -5.210
  303   1HB   HIS  43          2HB       HIS  43  -3.076  -5.648  -5.648
  304   2HB   HIS  43          3HB       HIS  43  -3.850  -5.497  -5.497
  305    HD1  HIS  43           HD1      HIS  43  -3.506  -8.236  -8.236
  306    HD2  HIS  43           HD2      HIS  43  -1.549  -7.282  -7.282
  307    HE1  HIS  43           HE1      HIS  43  -2.661 -10.412 -10.412
  308    H    THR  44           HN       THR  44  -1.646  -2.821  -2.821
  309    HA   THR  44           HA       THR  44  -2.285  -0.721  -0.721
  310    HB   THR  44           HB       THR  44  -0.388  -0.402  -0.402
  311    HG1  THR  44          1HG       THR  44  -2.637   1.057   1.057
  312   1HG2  THR  44          2HG2      THR  44  -2.002  -0.916  -0.916
  313   2HG2  THR  44          3HG2      THR  44  -0.392  -0.201  -0.201
  314   3HG2  THR  44          1HG2      THR  44  -0.617  -1.859  -1.859
  315    H    GLY  45           HN       GLY  45  -4.372  -2.652  -2.652
  316   1HA   GLY  45          1HA       GLY  45  -6.542  -2.865  -2.865
  317   2HA   GLY  45          2HA       GLY  45  -6.600  -1.134  -1.134
  318    H    ALA  46           HN       ALA  46  -4.181  -1.614  -1.614
  319    HA   ALA  46           HA       ALA  46  -4.303  -1.058  -1.058
  320   1HB   ALA  46          3HB       ALA  46  -4.012  -4.039  -4.039
  321   2HB   ALA  46          1HB       ALA  46  -3.572  -3.140  -3.140
  322   3HB   ALA  46          2HB       ALA  46  -2.742  -2.782  -2.782
  323    H    ASP  47           HN       ASP  47  -6.368  -0.149  -0.149
  324    HA   ASP  47           HA       ASP  47  -8.429  -1.852  -1.852
  325   1HB   ASP  47          2HB       ASP  47  -8.858   0.251   0.251
  326   2HB   ASP  47          3HB       ASP  47  -8.568   1.158   1.158
  327    H    TYR  48           HN       TYR  48  -6.571   0.954   0.954
  328    HA   TYR  48           HA       TYR  48  -5.731   1.913   1.913
  329   1HB   TYR  48          2HB       TYR  48  -3.925   0.524   0.524
  330   2HB   TYR  48          3HB       TYR  48  -4.053   0.407   0.407
  331    HD1  TYR  48           HD1      TYR  48  -5.024  -1.355  -1.355
  332    HD2  TYR  48           HD2      TYR  48  -4.148  -1.666  -1.666
  333    HE1  TYR  48           HE1      TYR  48  -5.678  -3.707  -3.707
  334    HE2  TYR  48           HE2      TYR  48  -4.833  -4.099  -4.099
  335    HH   TYR  48           HH       TYR  48  -6.550  -5.427  -5.427
  336    H    TYR  49           HN       TYR  49  -5.002   1.096   1.096
  337    HA   TYR  49           HA       TYR  49  -7.625   1.114   1.114
  338   1HB   TYR  49          2HB       TYR  49  -4.996   2.303   2.303
  339   2HB   TYR  49          3HB       TYR  49  -6.605   2.642   2.642
  340    HD1  TYR  49           HD1      TYR  49  -8.231   3.967   3.967
  341    HD2  TYR  49           HD2      TYR  49  -4.011   3.564   3.564
  342    HE1  TYR  49           HE1      TYR  49  -8.340   5.829   5.829
  343    HE2  TYR  49           HE2      TYR  49  -4.133   5.356   5.356
  344    HH   TYR  49           HH       TYR  49  -5.489   6.863   6.863
  345    H    SER  50           HN       SER  50  -7.822  -0.562  -0.562
  346    HA   SER  50           HA       SER  50  -5.664  -2.535  -2.535
  347   1HB   SER  50          2HB       SER  50  -7.474  -3.852  -3.852
  348   2HB   SER  50          3HB       SER  50  -7.768  -3.384  -3.384
  349    HG   SER  50           HG       SER  50  -8.994  -2.428  -2.428
  350    H    SER  51           HN       SER  51  -6.566   0.027   0.027
  351    HA   SER  51           HA       SER  51  -4.984  -1.380  -1.380
  352   1HB   SER  51          2HB       SER  51  -6.066  -0.282  -0.282
  353   2HB   SER  51          3HB       SER  51  -7.335  -0.986  -0.986
  354    HG   SER  51           HG       SER  51  -7.814   1.089   1.089
  355    H    TYR  52           HN       TYR  52  -3.340  -0.306  -0.306
  356    HA   TYR  52           HA       TYR  52  -1.923   1.696   1.696
  357   1HB   TYR  52          2HB       TYR  52  -0.983   0.174   0.174
  358   2HB   TYR  52          3HB       TYR  52  -1.824   1.168   1.168
  359    HD1  TYR  52           HD1      TYR  52  -1.174   3.495   3.495
  360    HD2  TYR  52           HD2      TYR  52   1.092   0.971   0.971
  361    HE1  TYR  52           HE1      TYR  52   0.736   5.055   5.055
  362    HE2  TYR  52           HE2      TYR  52   2.944   2.572   2.572
  363    HH   TYR  52           HH       TYR  52   3.761   4.551   4.551
  364    H    ARG  53           HN       ARG  53  -4.019   1.930   1.930
  365    HA   ARG  53           HA       ARG  53  -3.935   4.682   4.682
  366   1HB   ARG  53          2HB       ARG  53  -4.894   3.000   3.000
  367   2HB   ARG  53          3HB       ARG  53  -6.345   2.888   2.888
  368   1HG   ARG  53          2HG       ARG  53  -5.385   5.524   5.524
  369   2HG   ARG  53          3HG       ARG  53  -6.265   4.333   4.333
  370   1HD   ARG  53          2HD       ARG  53  -8.145   4.393   4.393
  371   2HD   ARG  53          3HD       ARG  53  -7.363   5.777   5.777
  372    HE   ARG  53           HE       ARG  53  -7.473   6.347   6.347
  373   1HH1  ARG  53          2HH2      ARG  53  -9.706   5.979   5.979
  374   2HH1  ARG  53          1HH2      ARG  53 -11.113   6.488   6.488
  375   1HH2  ARG  53          2HH1      ARG  53  -9.248   7.413   7.413
  376   2HH2  ARG  53          1HH1      ARG  53 -10.685   7.743   7.743
  377    H    ASP  54           HN       ASP  54  -6.137   2.802   2.802
  378    HA   ASP  54           HA       ASP  54  -7.562   5.114   5.114
  379   1HB   ASP  54          2HB       ASP  54  -7.056   2.398   2.398
  380   2HB   ASP  54          3HB       ASP  54  -7.857   3.710   3.710
  381    H    CYS  55           HN       CYS  55  -4.759   3.425   3.425
  382    HA   CYS  55           HA       CYS  55  -4.399   5.319   5.319
  383   1HB   CYS  55          2HB       CYS  55  -3.152   3.300   3.300
  384   2HB   CYS  55          3HB       CYS  55  -2.439   3.590   3.590
  385    H    PHE  56           HN       PHE  56  -3.151   5.361   5.361
  386    HA   PHE  56           HA       PHE  56  -1.533   7.641   7.641
  387   1HB   PHE  56          2HB       PHE  56  -1.629   5.935   5.935
  388   2HB   PHE  56          3HB       PHE  56  -3.087   6.710   6.710
  389    HD1  PHE  56          2HD       PHE  56  -2.916   9.235   9.235
  390    HD2  PHE  56          1HD       PHE  56   0.519   6.722   6.722
  391    HE1  PHE  56          2HE       PHE  56  -1.572  10.593  10.593
  392    HE2  PHE  56          1HE       PHE  56   1.733   7.866   7.866
  393    HZ   PHE  56           HZ       PHE  56   0.704   9.855   9.855
  394    H    ASN  57           HN       ASN  57  -4.944   7.350   7.350
  395    HA   ASN  57           HA       ASN  57  -5.189  10.211  10.211
  396   1HB   ASN  57          2HB       ASN  57  -7.183   7.891   7.891
  397   2HB   ASN  57          3HB       ASN  57  -7.725   9.565   9.565
  398   1HD2  ASN  57          2HD2      ASN  57  -5.695   8.118   8.118
  399   2HD2  ASN  57          1HD2      ASN  57  -5.560   7.299   7.299
  400    H    ALA  58           HN       ALA  58  -5.793   8.034   8.034
  401    HA   ALA  58           HA       ALA  58  -7.179   9.987   9.987
  402   1HB   ALA  58          2HB       ALA  58  -7.413   7.553   7.553
  403   2HB   ALA  58          3HB       ALA  58  -5.703   7.449   7.449
  404   3HB   ALA  58          1HB       ALA  58  -6.854   8.365   8.365
  405    H    CYS  59           HN       CYS  59  -3.710   9.339   9.339
  406    HA   CYS  59           HA       CYS  59  -3.135  11.569  11.569
  407   1HB   CYS  59          2HB       CYS  59  -3.110   9.122   9.122
  408   2HB   CYS  59          3HB       CYS  59  -1.556   9.020   9.020
  409    H    ILE  60           HN       ILE  60  -2.656  11.097  11.097
  410    HA   ILE  60           HA       ILE  60   0.056  12.348  12.348
  411    HB   ILE  60           HB       ILE  60  -1.142  10.651  10.651
  412   1HG1  ILE  60          2HG1      ILE  60  -0.396   9.313   9.313
  413   2HG1  ILE  60          3HG1      ILE  60   0.405   8.950   8.950
  414   1HG2  ILE  60          3HG2      ILE  60   1.511  12.094  12.094
  415   2HG2  ILE  60          1HG2      ILE  60   1.152  10.794  10.794
  416   3HG2  ILE  60          2HG2      ILE  60   0.222  12.292  12.292
  417   1HD1  ILE  60          3HD1      ILE  60   1.588  10.648  10.648
  418   2HD1  ILE  60          1HD1      ILE  60   1.954   8.952   8.952
  419   3HD1  ILE  60          2HD1      ILE  60   2.414  10.201  10.201

  Start of MODEL   17
    1    H    TYR   1           HN       TYR   1  -4.713  12.831  12.831
    2    HA   TYR   1           HA       TYR   1  -5.641  11.708  11.708
    3   1HB   TYR   1          2HB       TYR   1  -4.410  13.834  13.834
    4   2HB   TYR   1          3HB       TYR   1  -2.892  12.959  12.959
    5    HD1  TYR   1           HD1      TYR   1  -6.293  13.083  13.083
    6    HD2  TYR   1           HD2      TYR   1  -2.023  12.837  12.837
    7    HE1  TYR   1           HE1      TYR   1  -6.539  13.479  13.479
    8    HE2  TYR   1           HE2      TYR   1  -2.272  13.154  13.154
    9    HH   TYR   1           HH       TYR   1  -3.730  13.396  13.396
   10    H    ASN   2           HN       ASN   2  -5.405   9.361   9.361
   11    HA   ASN   2           HA       ASN   2  -3.083   7.894   7.894
   12   1HB   ASN   2          2HB       ASN   2  -4.169   6.936   6.936
   13   2HB   ASN   2          3HB       ASN   2  -5.717   6.914   6.914
   14   1HD2  ASN   2          2HD2      ASN   2  -2.759   4.256   4.256
   15   2HD2  ASN   2          1HD2      ASN   2  -2.272   5.803   5.803
   16    H    ARG   3           HN       ARG   3  -3.207   8.752   8.752
   17    HA   ARG   3           HA       ARG   3  -5.660   8.632   8.632
   18   1HB   ARG   3          2HB       ARG   3  -3.846  10.367  10.367
   19   2HB   ARG   3          3HB       ARG   3  -2.867   9.132   9.132
   20   1HG   ARG   3          2HG       ARG   3  -3.906  10.612  10.612
   21   2HG   ARG   3          3HG       ARG   3  -4.525   8.978   8.978
   22   1HD   ARG   3          2HD       ARG   3  -6.652   9.565   9.565
   23   2HD   ARG   3          3HD       ARG   3  -6.007  10.964  10.964
   24    HE   ARG   3           HE       ARG   3  -5.805  12.163  12.163
   25   1HH1  ARG   3          2HH2      ARG   3  -7.477   9.125   9.125
   26   2HH1  ARG   3          1HH2      ARG   3  -8.848   9.774   9.774
   27   1HH2  ARG   3          2HH1      ARG   3  -7.239  12.957  12.957
   28   2HH2  ARG   3          1HH1      ARG   3  -8.725  12.060  12.060
   29    H    LEU   4           HN       LEU   4  -6.343   6.636   6.636
   30    HA   LEU   4           HA       LEU   4  -4.520   4.378   4.378
   31   1HB   LEU   4          2HB       LEU   4  -7.320   4.753   4.753
   32   2HB   LEU   4          3HB       LEU   4  -6.463   3.253   3.253
   33    HG   LEU   4           HG       LEU   4  -7.137   4.743   4.743
   34   1HD1  LEU   4          3HD1      LEU   4  -8.354   2.275   2.275
   35   2HD1  LEU   4          1HD1      LEU   4  -8.648   2.830   2.830
   36   3HD1  LEU   4          2HD1      LEU   4  -9.106   3.839   3.839
   37   1HD2  LEU   4          1HD2      LEU   4  -5.508   2.241   2.241
   38   2HD2  LEU   4          2HD2      LEU   4  -5.198   3.572   3.572
   39   3HD2  LEU   4          3HD2      LEU   4  -6.458   2.416   2.416
   40    H    CYS   5           HN       CYS   5  -4.044   6.864   6.864
   41    HA   CYS   5           HA       CYS   5  -2.940   5.209   5.209
   42   1HB   CYS   5          2HB       CYS   5  -4.541   7.058   7.058
   43   2HB   CYS   5          3HB       CYS   5  -3.351   8.218   8.218
   44    H    ILE   6           HN       ILE   6  -2.242   7.084   7.084
   45    HA   ILE   6           HA       ILE   6   0.633   7.119   7.119
   46    HB   ILE   6           HB       ILE   6  -0.789   9.268   9.268
   47   1HG1  ILE   6          2HG1      ILE   6  -0.526   9.293   9.293
   48   2HG1  ILE   6          3HG1      ILE   6  -2.032   9.182   9.182
   49   1HG2  ILE   6          3HG2      ILE   6   1.694   8.910   8.910
   50   2HG2  ILE   6          1HG2      ILE   6   1.743   9.193   9.193
   51   3HG2  ILE   6          2HG2      ILE   6   1.249  10.498  10.498
   52   1HD1  ILE   6          3HD1      ILE   6  -1.681  11.248  11.248
   53   2HD1  ILE   6          1HD1      ILE   6  -0.267  11.592  11.592
   54   3HD1  ILE   6          2HD1      ILE   6  -1.887  11.397  11.397
   55    H    LYS   7           HN       LYS   7   1.149   5.487   5.487
   56    HA   LYS   7           HA       LYS   7   0.637   5.626   5.626
   57   1HB   LYS   7          2HB       LYS   7   0.225   3.427   3.427
   58   2HB   LYS   7          3HB       LYS   7   1.879   3.363   3.363
   59   1HG   LYS   7          2HG       LYS   7   2.792   3.210   3.210
   60   2HG   LYS   7          3HG       LYS   7   1.327   3.836   3.836
   61   1HD   LYS   7          2HD       LYS   7   0.298   1.832   1.832
   62   2HD   LYS   7          3HD       LYS   7   0.763   1.348   1.348
   63   1HE   LYS   7          2HE       LYS   7   1.999  -0.217  -0.217
   64   2HE   LYS   7          3HE       LYS   7   3.201   0.966   0.966
   65   1HZ   LYS   7          3HZ       LYS   7   1.476   1.140   1.140
   66   2HZ   LYS   7          1HZ       LYS   7   2.864   0.320   0.320
   67   3HZ   LYS   7          2HZ       LYS   7   2.904   1.906   1.906
   68    HA   PRO   8           HA       PRO   8   4.116   8.120   8.120
   69   1HB   PRO   8          2HB       PRO   8   4.554   9.681   9.681
   70   2HB   PRO   8          3HB       PRO   8   3.078   9.778   9.778
   71   1HG   PRO   8          2HG       PRO   8   3.445   8.243   8.243
   72   2HG   PRO   8          3HG       PRO   8   2.151   9.417   9.417
   73   1HD   PRO   8          2HD       PRO   8   1.784   6.738   6.738
   74   2HD   PRO   8          3HD       PRO   8   1.116   7.899   7.899
   75    H    ARG   9           HN       ARG   9   5.199   5.928   5.928
   76    HA   ARG   9           HA       ARG   9   7.252   5.046   5.046
   77   1HB   ARG   9          2HB       ARG   9   7.891   7.550   7.550
   78   2HB   ARG   9          3HB       ARG   9   8.324   7.270   7.270
   79   1HG   ARG   9          2HG       ARG   9  10.238   7.223   7.223
   80   2HG   ARG   9          3HG       ARG   9  10.042   5.650   5.650
   81   1HD   ARG   9          2HD       ARG   9   8.960   6.227   6.227
   82   2HD   ARG   9          3HD       ARG   9  10.678   5.887   5.887
   83    HE   ARG   9           HE       ARG   9   9.994   3.763   3.763
   84   1HH1  ARG   9          2HH2      ARG   9   8.281   5.064   5.064
   85   2HH1  ARG   9          1HH2      ARG   9   7.731   3.470   3.470
   86   1HH2  ARG   9          2HH1      ARG   9   9.342   1.646   1.646
   87   2HH2  ARG   9          1HH1      ARG   9   8.330   1.645   1.645
   88    H    ASP  10           HN       ASP  10   5.375   4.170   4.170
   89    HA   ASP  10           HA       ASP  10   6.810   3.429   3.429
   90   1HB   ASP  10          2HB       ASP  10   3.900   4.120   4.120
   91   2HB   ASP  10          3HB       ASP  10   4.428   3.322   3.322
   92    H    TRP  11           HN       TRP  11   6.891   1.875   1.875
   93    HA   TRP  11           HA       TRP  11   5.126  -0.429  -0.429
   94   1HB   TRP  11          2HB       TRP  11   4.331   1.085   1.085
   95   2HB   TRP  11          3HB       TRP  11   5.605   0.508   0.508
   96    HD1  TRP  11           HD1      TRP  11   5.475  -2.596  -2.596
   97    HE1  TRP  11           HE1      TRP  11   3.896  -3.869  -3.869
   98    HE3  TRP  11           HE3      TRP  11   2.221   0.974   0.974
   99    HZ2  TRP  11           HZ2      TRP  11   1.418  -3.176  -3.176
  100    HZ3  TRP  11           HZ3      TRP  11  -0.258   0.357   0.357
  101    HH2  TRP  11           HH2      TRP  11  -0.462  -1.504  -1.504
  102    H    ILE  12           HN       ILE  12   6.222  -2.255  -2.255
  103    HA   ILE  12           HA       ILE  12   9.067  -2.440  -2.440
  104    HB   ILE  12           HB       ILE  12   7.442  -4.097  -4.097
  105   1HG1  ILE  12          2HG1      ILE  12   7.695  -1.747  -1.747
  106   2HG1  ILE  12          3HG1      ILE  12   8.564  -2.912  -2.912
  107   1HG2  ILE  12          3HG2      ILE  12  10.401  -4.078  -4.078
  108   2HG2  ILE  12          1HG2      ILE  12   9.766  -4.747  -4.747
  109   3HG2  ILE  12          2HG2      ILE  12   9.264  -5.437  -5.437
  110   1HD1  ILE  12          2HD1      ILE  12  10.681  -2.249  -2.249
  111   2HD1  ILE  12          3HD1      ILE  12   9.805  -1.063  -1.063
  112   3HD1  ILE  12          1HD1      ILE  12   9.867  -0.884  -0.884
  113    H    ASP  13           HN       ASP  13   8.025  -2.451  -2.451
  114    HA   ASP  13           HA       ASP  13   6.599  -4.874  -4.874
  115   1HB   ASP  13          2HB       ASP  13   5.977  -2.952  -2.952
  116   2HB   ASP  13          3HB       ASP  13   7.642  -2.403  -2.403
  117    H    GLU  14           HN       GLU  14   8.306  -6.171  -6.171
  118    HA   GLU  14           HA       GLU  14  10.620  -6.726  -6.726
  119   1HB   GLU  14          2HB       GLU  14  11.506  -8.001  -8.001
  120   2HB   GLU  14          3HB       GLU  14  11.140  -6.342  -6.342
  121   1HG   GLU  14          2HG       GLU  14   9.198  -7.094  -7.094
  122   2HG   GLU  14          3HG       GLU  14   9.315  -8.718  -8.718
  123    H    CYS  15           HN       CYS  15   7.517  -7.868  -7.868
  124    HA   CYS  15           HA       CYS  15   7.644 -10.625 -10.625
  125   1HB   CYS  15          2HB       CYS  15   5.469  -8.541  -8.541
  126   2HB   CYS  15          3HB       CYS  15   5.103 -10.055 -10.055
  127    H    ASP  16           HN       ASP  16   6.550 -11.551 -11.551
  128    HA   ASP  16           HA       ASP  16   7.000 -10.050 -10.050
  129   1HB   ASP  16          2HB       ASP  16   7.842 -12.937 -12.937
  130   2HB   ASP  16          3HB       ASP  16   7.639 -12.255 -12.255
  131    H    SER  17           HN       SER  17   5.718 -11.327 -11.327
  132    HA   SER  17           HA       SER  17   3.008 -11.872 -11.872
  133   1HB   SER  17          2HB       SER  17   3.302 -13.205 -13.205
  134   2HB   SER  17          3HB       SER  17   3.061 -11.495 -11.495
  135    HG   SER  17           HG       SER  17   5.629 -12.753 -12.753
  136    H    ASN  18           HN       ASN  18   2.040 -13.918 -13.918
  137    HA   ASN  18           HA       ASN  18   1.814 -16.124 -16.124
  138   1HB   ASN  18          2HB       ASN  18   3.290 -16.798 -16.798
  139   2HB   ASN  18          3HB       ASN  18   4.711 -16.629 -16.629
  140   1HD2  ASN  18          2HD2      ASN  18   4.273 -19.707 -19.707
  141   2HD2  ASN  18          1HD2      ASN  18   5.212 -18.234 -18.234
  142    H    GLU  19           HN       GLU  19   4.354 -14.226 -14.226
  143    HA   GLU  19           HA       GLU  19   4.422 -15.899 -15.899
  144   1HB   GLU  19          2HB       GLU  19   6.201 -14.172 -14.172
  145   2HB   GLU  19          3HB       GLU  19   5.372 -13.045 -13.045
  146   1HG   GLU  19          2HG       GLU  19   7.333 -13.961 -13.961
  147   2HG   GLU  19          3HG       GLU  19   5.899 -14.630 -14.630
  148    H    GLY  20           HN       GLY  20   1.855 -15.569 -15.569
  149   1HA   GLY  20          1HA       GLY  20  -0.167 -14.567 -14.567
  150   2HA   GLY  20          2HA       GLY  20   0.445 -14.059 -14.059
  151    H    GLY  21           HN       GLY  21  -0.483 -11.966 -11.966
  152   1HA   GLY  21          1HA       GLY  21  -0.420  -9.722  -9.722
  153   2HA   GLY  21          2HA       GLY  21   1.062  -9.914  -9.914
  154    H    GLU  22           HN       GLU  22  -1.841  -8.699  -8.699
  155    HA   GLU  22           HA       GLU  22  -2.297  -9.536  -9.536
  156   1HB   GLU  22          2HB       GLU  22  -4.355  -9.221  -9.221
  157   2HB   GLU  22          3HB       GLU  22  -3.899  -7.530  -7.530
  158   1HG   GLU  22          2HG       GLU  22  -4.036  -7.050  -7.050
  159   2HG   GLU  22          3HG       GLU  22  -4.225  -8.769  -8.769
  160    H    ARG  23           HN       ARG  23  -2.009  -7.862  -7.862
  161    HA   ARG  23           HA       ARG  23   0.183  -6.005  -6.005
  162   1HB   ARG  23          2HB       ARG  23  -0.383  -7.410  -7.410
  163   2HB   ARG  23          3HB       ARG  23  -1.008  -5.792  -5.792
  164   1HG   ARG  23          2HG       ARG  23   1.141  -4.848  -4.848
  165   2HG   ARG  23          3HG       ARG  23   1.813  -6.432  -6.432
  166   1HD   ARG  23          2HD       ARG  23   2.428  -5.250  -5.250
  167   2HD   ARG  23          3HD       ARG  23   1.974  -6.947  -6.947
  168    HE   ARG  23           HE       ARG  23  -0.416  -5.976  -5.976
  169   1HH1  ARG  23          2HH2      ARG  23   2.808  -5.213  -5.213
  170   2HH1  ARG  23          1HH2      ARG  23   2.125  -4.782  -4.782
  171   1HH2  ARG  23          2HH1      ARG  23  -1.249  -5.116  -5.116
  172   2HH2  ARG  23          1HH1      ARG  23  -0.152  -4.628  -4.628
  173    H    ALA  24           HN       ALA  24  -0.313  -3.856  -3.856
  174    HA   ALA  24           HA       ALA  24  -3.029  -2.794  -2.794
  175   1HB   ALA  24          3HB       ALA  24  -2.815  -2.991  -2.991
  176   2HB   ALA  24          1HB       ALA  24  -1.314  -2.033  -2.033
  177   3HB   ALA  24          2HB       ALA  24  -2.865  -1.307  -1.307
  178    H    TYR  25           HN       TYR  25  -2.963  -0.387  -0.387
  179    HA   TYR  25           HA       TYR  25  -0.403   0.447   0.447
  180   1HB   TYR  25          2HB       TYR  25  -3.247   1.242   1.242
  181   2HB   TYR  25          3HB       TYR  25  -1.773   1.695   1.695
  182    HD1  TYR  25           HD1      TYR  25  -4.063  -1.067  -1.067
  183    HD2  TYR  25           HD2      TYR  25  -0.682   0.045   0.045
  184    HE1  TYR  25           HE1      TYR  25  -3.971  -3.332  -3.332
  185    HE2  TYR  25           HE2      TYR  25  -0.749  -2.177  -2.177
  186    HH   TYR  25           HH       TYR  25  -3.323  -4.551  -4.551
  187    H    PHE  26           HN       PHE  26   0.501   2.090   2.090
  188    HA   PHE  26           HA       PHE  26  -1.042   4.256   4.256
  189   1HB   PHE  26          2HB       PHE  26   1.085   2.730   2.730
  190   2HB   PHE  26          3HB       PHE  26   0.554   4.326   4.326
  191    HD1  PHE  26          1HD       PHE  26  -1.054   0.931   0.931
  192    HD2  PHE  26          2HD       PHE  26  -0.885   4.528   4.528
  193    HE1  PHE  26          1HE       PHE  26  -2.333  -0.139  -0.139
  194    HE2  PHE  26          2HE       PHE  26  -2.326   3.493   3.493
  195    HZ   PHE  26           HZ       PHE  26  -3.075   1.129   1.129
  196    H    ARG  27           HN       ARG  27   1.051   5.861   5.861
  197    HA   ARG  27           HA       ARG  27   2.999   5.856   5.856
  198   1HB   ARG  27          2HB       ARG  27   1.838   7.223   7.223
  199   2HB   ARG  27          3HB       ARG  27   0.421   6.805   6.805
  200   1HG   ARG  27          2HG       ARG  27   0.332   9.032   9.032
  201   2HG   ARG  27          3HG       ARG  27   0.871   8.837   8.837
  202   1HD   ARG  27          2HD       ARG  27   3.155   9.582   9.582
  203   2HD   ARG  27          3HD       ARG  27   2.680   9.513   9.513
  204    HE   ARG  27           HE       ARG  27   1.422  11.343  11.343
  205   1HH1  ARG  27          2HH2      ARG  27   3.394  11.362  11.362
  206   2HH1  ARG  27          1HH2      ARG  27   2.557  12.738  12.738
  207   1HH2  ARG  27          2HH1      ARG  27   0.801  13.256  13.256
  208   2HH2  ARG  27          1HH1      ARG  27   1.198  14.080  14.080
  209    H    ASN  28           HN       ASN  28   4.638   6.860   6.860
  210    HA   ASN  28           HA       ASN  28   4.809   8.581   8.581
  211   1HB   ASN  28          2HB       ASN  28   6.906   7.486   7.486
  212   2HB   ASN  28          3HB       ASN  28   5.545   6.338   6.338
  213   1HD2  ASN  28          2HD2      ASN  28   7.341   4.148   4.148
  214   2HD2  ASN  28          1HD2      ASN  28   6.015   4.382   4.382
  215    H    GLY  29           HN       GLY  29   7.094   9.595   9.595
  216   1HA   GLY  29          1HA       GLY  29   7.067  11.360  11.360
  217   2HA   GLY  29          2HA       GLY  29   8.192  11.389  11.389
  218    H    LYS  30           HN       LYS  30   7.894   8.609   8.609
  219    HA   LYS  30           HA       LYS  30  10.680   9.095   9.095
  220   1HB   LYS  30          2HB       LYS  30   8.655   6.883   6.883
  221   2HB   LYS  30          3HB       LYS  30  10.182   6.955   6.955
  222   1HG   LYS  30          2HG       LYS  30  11.507   6.752   6.752
  223   2HG   LYS  30          3HG       LYS  30  10.153   7.168   7.168
  224   1HD   LYS  30          2HD       LYS  30   8.988   5.029   5.029
  225   2HD   LYS  30          3HD       LYS  30  10.540   4.594   4.594
  226   1HE   LYS  30          2HE       LYS  30  10.130   5.236   5.236
  227   2HE   LYS  30          3HE       LYS  30   9.915   3.620   3.620
  228   1HZ   LYS  30          1HZ       LYS  30  12.171   3.580   3.580
  229   2HZ   LYS  30          2HZ       LYS  30  12.459   5.081   5.081
  230   3HZ   LYS  30          3HZ       LYS  30  12.022   3.865   3.865
  231    H    GLY  31           HN       GLY  31   8.042   7.998   7.998
  232   1HA   GLY  31          1HA       GLY  31   7.540  10.712  10.712
  233   2HA   GLY  31          2HA       GLY  31   8.140   9.469   9.469
  234    H    GLY  32           HN       GLY  32   6.422   7.553   7.553
  235   1HA   GLY  32          1HA       GLY  32   4.056   8.701   8.701
  236   2HA   GLY  32          2HA       GLY  32   3.944   7.793   7.793
  237    H    CYS  33           HN       CYS  33   2.871   5.914   5.914
  238    HA   CYS  33           HA       CYS  33   2.567   5.212   5.212
  239   1HB   CYS  33          2HB       CYS  33   1.396   3.997   3.997
  240   2HB   CYS  33          3HB       CYS  33   0.937   3.482   3.482
  241    H    ASP  34           HN       ASP  34   3.249   3.484   3.484
  242    HA   ASP  34           HA       ASP  34   5.370   1.770   1.770
  243   1HB   ASP  34          2HB       ASP  34   6.456   3.594   3.594
  244   2HB   ASP  34          3HB       ASP  34   5.359   3.430   3.430
  245    H    SER  35           HN       SER  35   3.706   0.300   0.300
  246    HA   SER  35           HA       SER  35   1.902  -0.428  -0.428
  247   1HB   SER  35          2HB       SER  35   2.769  -2.158  -2.158
  248   2HB   SER  35          3HB       SER  35   1.179  -2.096  -2.096
  249    HG   SER  35           HG       SER  35   1.207   0.199   0.199
  250    H    PHE  36           HN       PHE  36   1.990  -2.347  -2.347
  251    HA   PHE  36           HA       PHE  36   4.450  -3.906  -3.906
  252   1HB   PHE  36          2HB       PHE  36   4.434  -3.323  -3.323
  253   2HB   PHE  36          3HB       PHE  36   5.299  -2.355  -2.355
  254    HD1  PHE  36          2HD       PHE  36   1.699  -1.633  -1.633
  255    HD2  PHE  36          1HD       PHE  36   5.643  -0.813  -0.813
  256    HE1  PHE  36          2HE       PHE  36   0.941   0.500   0.500
  257    HE2  PHE  36          1HE       PHE  36   4.803   1.325   1.325
  258    HZ   PHE  36           HZ       PHE  36   2.415   1.918   1.918
  259    H    TRP  37           HN       TRP  37   4.343  -5.492  -5.492
  260    HA   TRP  37           HA       TRP  37   1.715  -6.788  -6.788
  261   1HB   TRP  37          2HB       TRP  37   4.427  -7.497  -7.497
  262   2HB   TRP  37          3HB       TRP  37   3.032  -8.571  -8.571
  263    HD1  TRP  37           HD1      TRP  37   6.122  -7.413  -7.413
  264    HE1  TRP  37           HE1      TRP  37   6.192  -7.942  -7.942
  265    HE3  TRP  37           HE3      TRP  37   1.309  -8.983  -8.983
  266    HZ2  TRP  37           HZ2      TRP  37   4.274  -8.699  -8.699
  267    HZ3  TRP  37           HZ3      TRP  37   0.417  -9.379  -9.379
  268    HH2  TRP  37           HH2      TRP  37   1.891  -9.363  -9.363
  269    H    ILE  38           HN       ILE  38   0.432  -6.125  -6.125
  270    HA   ILE  38           HA       ILE  38   1.701  -4.448  -4.448
  271    HB   ILE  38           HB       ILE  38  -0.888  -5.785  -5.785
  272   1HG1  ILE  38          2HG1      ILE  38  -0.800  -3.556  -3.556
  273   2HG1  ILE  38          3HG1      ILE  38  -1.297  -5.204  -5.204
  274   1HG2  ILE  38          3HG2      ILE  38   0.491  -4.152  -4.152
  275   2HG2  ILE  38          1HG2      ILE  38   0.041  -2.887  -2.887
  276   3HG2  ILE  38          2HG2      ILE  38  -1.212  -3.722  -3.722
  277   1HD1  ILE  38          3HD1      ILE  38  -3.055  -4.918  -4.918
  278   2HD1  ILE  38          1HD1      ILE  38  -2.623  -3.186  -3.186
  279   3HD1  ILE  38          2HD1      ILE  38  -3.221  -3.956  -3.956
  280    H    CYS  39           HN       CYS  39   3.394  -5.841  -5.841
  281    HA   CYS  39           HA       CYS  39   3.245  -8.636  -8.636
  282   1HB   CYS  39          2HB       CYS  39   5.221  -7.113  -7.113
  283   2HB   CYS  39          3HB       CYS  39   4.826  -7.090  -7.090
  284    HA   PRO  40           HA       PRO  40   0.172  -9.455  -9.455
  285   1HB   PRO  40          2HB       PRO  40   2.107 -11.225 -11.225
  286   2HB   PRO  40          3HB       PRO  40   0.453 -11.598 -11.598
  287   1HG   PRO  40          2HG       PRO  40   2.628 -12.524 -12.524
  288   2HG   PRO  40          3HG       PRO  40   1.199 -11.902 -11.902
  289   1HD   PRO  40          2HD       PRO  40   3.825 -10.475 -10.475
  290   2HD   PRO  40          3HD       PRO  40   2.830 -10.501 -10.501
  291    H    GLU  41           HN       GLU  41   3.359  -9.057  -9.057
  292    HA   GLU  41           HA       GLU  41   2.749  -8.216  -8.216
  293   1HB   GLU  41          2HB       GLU  41   4.982  -8.679  -8.679
  294   2HB   GLU  41          3HB       GLU  41   4.832  -7.019  -7.019
  295   1HG   GLU  41          2HG       GLU  41   6.213  -6.812  -6.812
  296   2HG   GLU  41          3HG       GLU  41   4.647  -6.431  -6.431
  297    H    ASP  42           HN       ASP  42   2.746  -6.368  -6.368
  298    HA   ASP  42           HA       ASP  42   2.175  -3.816  -3.816
  299   1HB   ASP  42          2HB       ASP  42   2.567  -4.693  -4.693
  300   2HB   ASP  42          3HB       ASP  42   2.187  -3.046  -3.046
  301    H    HIS  43           HN       HIS  43   0.157  -5.633  -5.633
  302    HA   HIS  43           HA       HIS  43  -2.257  -4.798  -4.798
  303   1HB   HIS  43          2HB       HIS  43  -1.692  -6.560  -6.560
  304   2HB   HIS  43          3HB       HIS  43  -3.236  -5.720  -5.720
  305    HD1  HIS  43           HD1      HIS  43  -3.884  -8.503  -8.503
  306    HD2  HIS  43           HD2      HIS  43  -2.718  -6.477  -6.477
  307    HE1  HIS  43           HE1      HIS  43  -4.922  -9.751  -9.751
  308    H    THR  44           HN       THR  44  -1.555  -2.881  -2.881
  309    HA   THR  44           HA       THR  44  -1.157  -1.121  -1.121
  310    HB   THR  44           HB       THR  44   0.383  -1.376  -1.376
  311    HG1  THR  44          1HG       THR  44  -0.117   0.780   0.780
  312   1HG2  THR  44          2HG2      THR  44  -1.448  -1.659  -1.659
  313   2HG2  THR  44          3HG2      THR  44  -1.568   0.100   0.100
  314   3HG2  THR  44          1HG2      THR  44  -0.069  -0.688  -0.688
  315    H    GLY  45           HN       GLY  45  -4.072  -1.954  -1.954
  316   1HA   GLY  45          1HA       GLY  45  -6.096  -0.903  -0.903
  317   2HA   GLY  45          2HA       GLY  45  -5.390   0.576   0.576
  318    H    ALA  46           HN       ALA  46  -4.668  -1.430  -1.430
  319    HA   ALA  46           HA       ALA  46  -4.824   0.865   0.865
  320   1HB   ALA  46          2HB       ALA  46  -3.080  -1.628  -1.628
  321   2HB   ALA  46          3HB       ALA  46  -3.485  -0.709  -0.709
  322   3HB   ALA  46          1HB       ALA  46  -2.593   0.087   0.087
  323    H    ASP  47           HN       ASP  47  -7.001   0.572   0.572
  324    HA   ASP  47           HA       ASP  47  -8.162  -1.941  -1.941
  325   1HB   ASP  47          2HB       ASP  47  -9.383  -0.331  -0.331
  326   2HB   ASP  47          3HB       ASP  47  -9.385   0.831   0.831
  327    H    TYR  48           HN       TYR  48  -6.585   0.764   0.764
  328    HA   TYR  48           HA       TYR  48  -5.658   1.382   1.382
  329   1HB   TYR  48          2HB       TYR  48  -4.799  -0.451  -0.451
  330   2HB   TYR  48          3HB       TYR  48  -4.399  -0.383  -0.383
  331    HD1  TYR  48           HD1      TYR  48  -6.827  -2.142  -2.142
  332    HD2  TYR  48           HD2      TYR  48  -4.578  -2.149  -2.149
  333    HE1  TYR  48           HE1      TYR  48  -8.003  -4.203  -4.203
  334    HE2  TYR  48           HE2      TYR  48  -5.651  -4.250  -4.250
  335    HH   TYR  48           HH       TYR  48  -6.883  -5.930  -5.930
  336    H    TYR  49           HN       TYR  49  -5.499   1.830   1.830
  337    HA   TYR  49           HA       TYR  49  -7.878   1.573   1.573
  338   1HB   TYR  49          2HB       TYR  49  -5.005   2.462   2.462
  339   2HB   TYR  49          3HB       TYR  49  -6.204   2.313   2.313
  340    HD1  TYR  49           HD1      TYR  49  -7.763   3.669   3.669
  341    HD2  TYR  49           HD2      TYR  49  -5.381   4.592   4.592
  342    HE1  TYR  49           HE1      TYR  49  -8.477   6.004   6.004
  343    HE2  TYR  49           HE2      TYR  49  -6.084   6.963   6.963
  344    HH   TYR  49           HH       TYR  49  -8.252   8.105   8.105
  345    H    SER  50           HN       SER  50  -8.061   0.032   0.032
  346    HA   SER  50           HA       SER  50  -6.385  -2.405  -2.405
  347   1HB   SER  50          2HB       SER  50  -8.556  -3.521  -3.521
  348   2HB   SER  50          3HB       SER  50  -8.551  -2.676  -2.676
  349    HG   SER  50           HG       SER  50 -10.307  -1.837  -1.837
  350    H    SER  51           HN       SER  51  -6.801  -0.067  -0.067
  351    HA   SER  51           HA       SER  51  -5.672  -2.014  -2.014
  352   1HB   SER  51          2HB       SER  51  -7.133  -1.157  -1.157
  353   2HB   SER  51          3HB       SER  51  -8.020  -2.041  -2.041
  354    HG   SER  51           HG       SER  51  -8.838  -0.168  -0.168
  355    H    TYR  52           HN       TYR  52  -4.433  -1.123  -1.123
  356    HA   TYR  52           HA       TYR  52  -2.691   0.866   0.866
  357   1HB   TYR  52          2HB       TYR  52  -2.055  -0.946  -0.946
  358   2HB   TYR  52          3HB       TYR  52  -3.041  -0.259  -0.259
  359    HD1  TYR  52           HD1      TYR  52  -2.340   1.822   1.822
  360    HD2  TYR  52           HD2      TYR  52   0.187  -0.078  -0.078
  361    HE1  TYR  52           HE1      TYR  52  -0.482   3.308   3.308
  362    HE2  TYR  52           HE2      TYR  52   2.053   1.403   1.403
  363    HH   TYR  52           HH       TYR  52   1.634   3.951   3.951
  364    H    ARG  53           HN       ARG  53  -4.993   1.185   1.185
  365    HA   ARG  53           HA       ARG  53  -4.019   3.772   3.772
  366   1HB   ARG  53          2HB       ARG  53  -5.482   2.394   2.394
  367   2HB   ARG  53          3HB       ARG  53  -6.846   2.914   2.914
  368   1HG   ARG  53          2HG       ARG  53  -5.728   5.373   5.373
  369   2HG   ARG  53          3HG       ARG  53  -5.112   4.529   4.529
  370   1HD   ARG  53          2HD       ARG  53  -8.053   4.614   4.614
  371   2HD   ARG  53          3HD       ARG  53  -7.309   5.745   5.745
  372    HE   ARG  53           HE       ARG  53  -6.839   4.033   4.033
  373   1HH1  ARG  53          2HH2      ARG  53  -8.920   2.794   2.794
  374   2HH1  ARG  53          1HH2      ARG  53  -9.275   1.335   1.335
  375   1HH2  ARG  53          2HH1      ARG  53  -7.245   2.204   2.204
  376   2HH2  ARG  53          1HH1      ARG  53  -8.545   1.105   1.105
  377    H    ASP  54           HN       ASP  54  -6.598   2.741   2.741
  378    HA   ASP  54           HA       ASP  54  -7.482   5.356   5.356
  379   1HB   ASP  54          2HB       ASP  54  -7.676   2.725   2.725
  380   2HB   ASP  54          3HB       ASP  54  -7.724   4.171   4.171
  381    H    CYS  55           HN       CYS  55  -4.818   3.582   3.582
  382    HA   CYS  55           HA       CYS  55  -4.170   5.941   5.941
  383   1HB   CYS  55          2HB       CYS  55  -3.291   3.681   3.681
  384   2HB   CYS  55          3HB       CYS  55  -2.415   3.604   3.604
  385    H    PHE  56           HN       PHE  56  -3.194   4.906   4.906
  386    HA   PHE  56           HA       PHE  56  -1.135   6.840   6.840
  387   1HB   PHE  56          2HB       PHE  56  -1.619   4.838   4.838
  388   2HB   PHE  56          3HB       PHE  56  -2.790   5.878   5.878
  389    HD1  PHE  56          1HD       PHE  56   0.739   5.587   5.587
  390    HD2  PHE  56          2HD       PHE  56  -2.007   7.708   7.708
  391    HE1  PHE  56          1HE       PHE  56   2.535   7.157   7.157
  392    HE2  PHE  56          2HE       PHE  56  -0.181   9.194   9.194
  393    HZ   PHE  56           HZ       PHE  56   2.089   8.945   8.945
  394    H    ASN  57           HN       ASN  57  -4.556   7.064   7.064
  395    HA   ASN  57           HA       ASN  57  -3.991   9.811   9.811
  396   1HB   ASN  57          2HB       ASN  57  -6.092   9.930   9.930
  397   2HB   ASN  57          3HB       ASN  57  -5.676   8.232   8.232
  398   1HD2  ASN  57          2HD2      ASN  57  -8.239   7.070   7.070
  399   2HD2  ASN  57          1HD2      ASN  57  -6.688   6.658   6.658
  400    H    ALA  58           HN       ALA  58  -5.519   8.238   8.238
  401    HA   ALA  58           HA       ALA  58  -6.724  10.827  10.827
  402   1HB   ALA  58          3HB       ALA  58  -7.930   8.695   8.695
  403   2HB   ALA  58          1HB       ALA  58  -6.684   8.212   8.212
  404   3HB   ALA  58          2HB       ALA  58  -7.694   9.629   9.629
  405    H    CYS  59           HN       CYS  59  -3.560   9.688   9.688
  406    HA   CYS  59           HA       CYS  59  -3.103  11.463  11.463
  407   1HB   CYS  59          2HB       CYS  59  -1.632   8.857   8.857
  408   2HB   CYS  59          3HB       CYS  59  -1.727   9.950   9.950
  409    H    ILE  60           HN       ILE  60  -1.908  10.267  10.267
  410    HA   ILE  60           HA       ILE  60   0.630  11.725  11.725
  411    HB   ILE  60           HB       ILE  60  -0.120   9.905   9.905
  412   1HG1  ILE  60          2HG1      ILE  60  -0.155   8.570   8.570
  413   2HG1  ILE  60          3HG1      ILE  60   1.297   8.221   8.221
  414   1HG2  ILE  60          1HG2      ILE  60   2.542  11.131  11.131
  415   2HG2  ILE  60          2HG2      ILE  60   2.392   9.760   9.760
  416   3HG2  ILE  60          3HG2      ILE  60   1.699  11.311  11.311
  417   1HD1  ILE  60          1HD1      ILE  60   2.521   9.904   9.904
  418   2HD1  ILE  60          2HD1      ILE  60   1.078   9.923   9.923
  419   3HD1  ILE  60          3HD1      ILE  60   1.937   8.409   8.409

  Start of MODEL   18
    1    H    TYR   1           HN       TYR   1  -3.231  13.615  13.615
    2    HA   TYR   1           HA       TYR   1  -2.277  14.706  14.706
    3   1HB   TYR   1          2HB       TYR   1  -1.258  16.150  16.150
    4   2HB   TYR   1          3HB       TYR   1  -1.015  14.854  14.854
    5    HD1  TYR   1           HD1      TYR   1   0.042  15.785  15.785
    6    HD2  TYR   1           HD2      TYR   1   1.036  13.774  13.774
    7    HE1  TYR   1           HE1      TYR   1   1.968  14.704  14.704
    8    HE2  TYR   1           HE2      TYR   1   3.007  12.801  12.801
    9    HH   TYR   1           HH       TYR   1   3.848  13.241  13.241
   10    H    ASN   2           HN       ASN   2  -0.666  13.378  13.378
   11    HA   ASN   2           HA       ASN   2   0.349  11.564  11.564
   12   1HB   ASN   2          2HB       ASN   2   1.093  11.284  11.284
   13   2HB   ASN   2          3HB       ASN   2  -0.012   9.925   9.925
   14   1HD2  ASN   2          2HD2      ASN   2   3.518   9.877   9.877
   15   2HD2  ASN   2          1HD2      ASN   2   2.955  11.322  11.322
   16    H    ARG   3           HN       ARG   3  -1.846  12.020  12.020
   17    HA   ARG   3           HA       ARG   3  -4.127  10.607  10.607
   18   1HB   ARG   3          2HB       ARG   3  -3.809  12.572  12.572
   19   2HB   ARG   3          3HB       ARG   3  -3.316  11.434  11.434
   20   1HG   ARG   3          2HG       ARG   3  -5.929  10.974  10.974
   21   2HG   ARG   3          3HG       ARG   3  -5.818  12.365  12.365
   22   1HD   ARG   3          2HD       ARG   3  -5.412  11.119  11.119
   23   2HD   ARG   3          3HD       ARG   3  -5.165   9.603   9.603
   24    HE   ARG   3           HE       ARG   3  -7.606  10.043  10.043
   25   1HH1  ARG   3          2HH2      ARG   3  -6.478  10.601  10.601
   26   2HH1  ARG   3          1HH2      ARG   3  -8.068  10.244  10.244
   27   1HH2  ARG   3          2HH1      ARG   3  -9.632   9.734   9.734
   28   2HH2  ARG   3          1HH1      ARG   3  -9.683   9.215   9.215
   29    H    LEU   4           HN       LEU   4  -5.191   8.706   8.706
   30    HA   LEU   4           HA       LEU   4  -3.505   6.473   6.473
   31   1HB   LEU   4          2HB       LEU   4  -6.452   6.971   6.971
   32   2HB   LEU   4          3HB       LEU   4  -5.725   5.414   5.414
   33    HG   LEU   4           HG       LEU   4  -6.055   6.581   6.581
   34   1HD1  LEU   4          1HD1      LEU   4  -7.115   4.099   4.099
   35   2HD1  LEU   4          2HD1      LEU   4  -7.353   4.482   4.482
   36   3HD1  LEU   4          3HD1      LEU   4  -8.026   5.543   5.543
   37   1HD2  LEU   4          1HD2      LEU   4  -4.287   4.318   4.318
   38   2HD2  LEU   4          2HD2      LEU   4  -3.917   5.633   5.633
   39   3HD2  LEU   4          3HD2      LEU   4  -4.996   4.356   4.356
   40    H    CYS   5           HN       CYS   5  -2.906   8.599   8.599
   41    HA   CYS   5           HA       CYS   5  -2.581   6.887   6.887
   42   1HB   CYS   5          2HB       CYS   5  -3.027   9.156   9.156
   43   2HB   CYS   5          3HB       CYS   5  -1.990   9.766   9.766
   44    H    ILE   6           HN       ILE   6  -1.292   7.698   7.698
   45    HA   ILE   6           HA       ILE   6   1.464   6.847   6.847
   46    HB   ILE   6           HB       ILE   6   0.484   8.977   8.977
   47   1HG1  ILE   6          2HG1      ILE   6   1.255   9.532   9.532
   48   2HG1  ILE   6          3HG1      ILE   6  -0.334   9.768   9.768
   49   1HG2  ILE   6          2HG2      ILE   6   2.793   7.985   7.985
   50   2HG2  ILE   6          3HG2      ILE   6   3.152   8.525   8.525
   51   3HG2  ILE   6          1HG2      ILE   6   2.849   9.712   9.712
   52   1HD1  ILE   6          2HD1      ILE   6   0.522  11.397  11.397
   53   2HD1  ILE   6          3HD1      ILE   6   2.092  11.382  11.382
   54   3HD1  ILE   6          1HD1      ILE   6   0.618  11.891  11.891
   55    H    LYS   7           HN       LYS   7   2.030   5.230   5.230
   56    HA   LYS   7           HA       LYS   7   0.133   4.605   4.605
   57   1HB   LYS   7          2HB       LYS   7   0.763   2.680   2.680
   58   2HB   LYS   7          3HB       LYS   7   2.475   3.058   3.058
   59   1HG   LYS   7          2HG       LYS   7   2.384   2.702   2.702
   60   2HG   LYS   7          3HG       LYS   7   0.621   2.697   2.697
   61   1HD   LYS   7          2HD       LYS   7   0.883   0.492   0.492
   62   2HD   LYS   7          3HD       LYS   7   0.975   0.466   0.466
   63   1HE   LYS   7          2HE       LYS   7   2.834  -0.844  -0.844
   64   2HE   LYS   7          3HE       LYS   7   3.614   0.736   0.736
   65   1HZ   LYS   7          1HZ       LYS   7   2.619  -0.471  -0.471
   66   2HZ   LYS   7          2HZ       LYS   7   4.196  -0.448  -0.448
   67   3HZ   LYS   7          3HZ       LYS   7   3.392   0.944   0.944
   68    HA   PRO   8           HA       PRO   8   3.477   6.829   6.829
   69   1HB   PRO   8          2HB       PRO   8   2.134   7.130   7.130
   70   2HB   PRO   8          3HB       PRO   8   1.973   8.264   8.264
   71   1HG   PRO   8          2HG       PRO   8   0.067   6.098   6.098
   72   2HG   PRO   8          3HG       PRO   8  -0.294   7.710   7.710
   73   1HD   PRO   8          2HD       PRO   8  -0.261   5.269   5.269
   74   2HD   PRO   8          3HD       PRO   8  -0.179   6.868   6.868
   75    H    ARG   9           HN       ARG   9   4.738   5.829   5.829
   76    HA   ARG   9           HA       ARG   9   5.295   4.335   4.335
   77   1HB   ARG   9          2HB       ARG   9   2.892   3.590   3.590
   78   2HB   ARG   9          3HB       ARG   9   3.228   2.368   2.368
   79   1HG   ARG   9          2HG       ARG   9   3.077   1.456   1.456
   80   2HG   ARG   9          3HG       ARG   9   4.621   1.125   1.125
   81   1HD   ARG   9          2HD       ARG   9   4.246   3.460   3.460
   82   2HD   ARG   9          3HD       ARG   9   4.450   1.836   1.836
   83    HE   ARG   9           HE       ARG   9   6.524   3.533   3.533
   84   1HH1  ARG   9          2HH2      ARG   9   5.521   0.084   0.084
   85   2HH1  ARG   9          1HH2      ARG   9   7.156  -0.461  -0.461
   86   1HH2  ARG   9          2HH1      ARG   9   8.653   2.705   2.705
   87   2HH2  ARG   9          1HH1      ARG   9   8.940   1.000   1.000
   88    H    ASP  10           HN       ASP  10   5.547   4.227   4.227
   89    HA   ASP  10           HA       ASP  10   7.360   3.773   3.773
   90   1HB   ASP  10          2HB       ASP  10   8.917   4.356   4.356
   91   2HB   ASP  10          3HB       ASP  10   8.591   2.957   2.957
   92    H    TRP  11           HN       TRP  11   6.393   2.449   2.449
   93    HA   TRP  11           HA       TRP  11   5.758  -0.254  -0.254
   94   1HB   TRP  11          2HB       TRP  11   4.727   1.194   1.194
   95   2HB   TRP  11          3HB       TRP  11   5.946   0.749   0.749
   96    HD1  TRP  11           HD1      TRP  11   6.091  -2.413  -2.413
   97    HE1  TRP  11           HE1      TRP  11   4.114  -3.872  -3.872
   98    HE3  TRP  11           HE3      TRP  11   2.594   1.105   1.105
   99    HZ2  TRP  11           HZ2      TRP  11   1.365  -3.345  -3.345
  100    HZ3  TRP  11           HZ3      TRP  11   0.116   0.493   0.493
  101    HH2  TRP  11           HH2      TRP  11  -0.424  -1.597  -1.597
  102    H    ILE  12           HN       ILE  12   6.798  -2.069  -2.069
  103    HA   ILE  12           HA       ILE  12   9.673  -2.222  -2.222
  104    HB   ILE  12           HB       ILE  12   7.676  -3.997  -3.997
  105   1HG1  ILE  12          2HG1      ILE  12   8.095  -1.986  -1.986
  106   2HG1  ILE  12          3HG1      ILE  12   8.834  -3.381  -3.381
  107   1HG2  ILE  12          2HG2      ILE  12  10.663  -4.403  -4.403
  108   2HG2  ILE  12          3HG2      ILE  12   9.573  -5.279  -5.279
  109   3HG2  ILE  12          1HG2      ILE  12   9.390  -5.442  -5.442
  110   1HD1  ILE  12          1HD1      ILE  12  11.068  -2.649  -2.649
  111   2HD1  ILE  12          2HD1      ILE  12  10.272  -1.201  -1.201
  112   3HD1  ILE  12          3HD1      ILE  12  10.323  -1.470  -1.470
  113    H    ASP  13           HN       ASP  13   8.984  -1.963  -1.963
  114    HA   ASP  13           HA       ASP  13   7.093  -3.620  -3.620
  115   1HB   ASP  13          2HB       ASP  13   7.719  -2.594  -2.594
  116   2HB   ASP  13          3HB       ASP  13   7.895  -1.355  -1.355
  117    H    GLU  14           HN       GLU  14   8.806  -5.414  -5.414
  118    HA   GLU  14           HA       GLU  14  10.597  -6.771  -6.771
  119   1HB   GLU  14          2HB       GLU  14  11.329  -6.673  -6.673
  120   2HB   GLU  14          3HB       GLU  14   9.730  -6.979  -6.979
  121   1HG   GLU  14          2HG       GLU  14   9.838  -9.351  -9.351
  122   2HG   GLU  14          3HG       GLU  14  11.381  -9.069  -9.069
  123    H    CYS  15           HN       CYS  15   7.864  -7.783  -7.783
  124    HA   CYS  15           HA       CYS  15   7.384 -10.267 -10.267
  125   1HB   CYS  15          2HB       CYS  15   5.128 -10.070 -10.070
  126   2HB   CYS  15          3HB       CYS  15   6.318  -9.371  -9.371
  127    H    ASP  16           HN       ASP  16   5.908 -11.219 -11.219
  128    HA   ASP  16           HA       ASP  16   5.063  -9.545  -9.545
  129   1HB   ASP  16          2HB       ASP  16   7.146 -10.951 -10.951
  130   2HB   ASP  16          3HB       ASP  16   6.159 -12.399 -12.399
  131    H    SER  17           HN       SER  17   3.816 -11.621 -11.621
  132    HA   SER  17           HA       SER  17   1.253 -11.834 -11.834
  133   1HB   SER  17          2HB       SER  17   1.054 -13.705 -13.705
  134   2HB   SER  17          3HB       SER  17   0.872 -12.022 -12.022
  135    HG   SER  17           HG       SER  17   3.334 -13.435 -13.435
  136    H    ASN  18           HN       ASN  18   0.188 -14.002 -14.002
  137    HA   ASN  18           HA       ASN  18  -0.151 -15.634 -15.634
  138   1HB   ASN  18          2HB       ASN  18   1.424 -16.720 -16.720
  139   2HB   ASN  18          3HB       ASN  18   2.661 -16.667 -16.667
  140   1HD2  ASN  18          2HD2      ASN  18  -0.711 -19.028 -19.028
  141   2HD2  ASN  18          1HD2      ASN  18  -0.751 -17.664 -17.664
  142    H    GLU  19           HN       GLU  19   2.243 -13.404 -13.404
  143    HA   GLU  19           HA       GLU  19   3.121 -14.709 -14.709
  144   1HB   GLU  19          2HB       GLU  19   4.153 -12.877 -12.877
  145   2HB   GLU  19          3HB       GLU  19   3.614 -11.802 -11.802
  146   1HG   GLU  19          2HG       GLU  19   5.401 -14.263 -14.263
  147   2HG   GLU  19          3HG       GLU  19   5.992 -12.630 -12.630
  148    H    GLY  20           HN       GLY  20   0.321 -14.608 -14.608
  149   1HA   GLY  20          1HA       GLY  20  -1.176 -14.418 -14.418
  150   2HA   GLY  20          2HA       GLY  20  -0.065 -13.441 -13.441
  151    H    GLY  21           HN       GLY  21   0.314 -11.243 -11.243
  152   1HA   GLY  21          1HA       GLY  21  -1.823  -9.636  -9.636
  153   2HA   GLY  21          2HA       GLY  21  -0.483  -9.189  -9.189
  154    H    GLU  22           HN       GLU  22  -1.814  -7.777  -7.777
  155    HA   GLU  22           HA       GLU  22  -3.190  -9.103  -9.103
  156   1HB   GLU  22          2HB       GLU  22  -4.993  -8.528  -8.528
  157   2HB   GLU  22          3HB       GLU  22  -4.485  -6.837  -6.837
  158   1HG   GLU  22          2HG       GLU  22  -4.984  -6.563  -6.563
  159   2HG   GLU  22          3HG       GLU  22  -5.168  -8.321  -8.321
  160    H    ARG  23           HN       ARG  23  -3.331  -7.566  -7.566
  161    HA   ARG  23           HA       ARG  23  -0.705  -6.174  -6.174
  162   1HB   ARG  23          2HB       ARG  23  -2.350  -7.874  -7.874
  163   2HB   ARG  23          3HB       ARG  23  -1.759  -6.374  -6.374
  164   1HG   ARG  23          2HG       ARG  23  -0.009  -7.398  -7.398
  165   2HG   ARG  23          3HG       ARG  23   0.584  -7.223  -7.223
  166   1HD   ARG  23          2HD       ARG  23   0.752  -9.572  -9.572
  167   2HD   ARG  23          3HD       ARG  23  -0.840  -9.824  -9.824
  168    HE   ARG  23           HE       ARG  23  -0.113 -10.001 -10.001
  169   1HH1  ARG  23          2HH2      ARG  23   2.506  -8.782  -8.782
  170   2HH1  ARG  23          1HH2      ARG  23   3.768  -9.531  -9.531
  171   1HH2  ARG  23          2HH1      ARG  23   1.607 -10.737 -10.737
  172   2HH2  ARG  23          1HH1      ARG  23   3.250 -10.265 -10.265
  173    H    ALA  24           HN       ALA  24  -0.603  -3.957  -3.957
  174    HA   ALA  24           HA       ALA  24  -3.067  -2.490  -2.490
  175   1HB   ALA  24          2HB       ALA  24  -1.542  -1.965  -1.965
  176   2HB   ALA  24          3HB       ALA  24  -2.768  -0.905  -0.905
  177   3HB   ALA  24          1HB       ALA  24  -3.225  -2.511  -2.511
  178    H    TYR  25           HN       TYR  25  -2.514  -0.138  -0.138
  179    HA   TYR  25           HA       TYR  25   0.262   0.237   0.237
  180   1HB   TYR  25          2HB       TYR  25  -2.439   0.928   0.928
  181   2HB   TYR  25          3HB       TYR  25  -0.902   1.485   1.485
  182    HD1  TYR  25           HD1      TYR  25  -2.943  -1.582  -1.582
  183    HD2  TYR  25           HD2      TYR  25   0.408   0.037   0.037
  184    HE1  TYR  25           HE1      TYR  25  -2.707  -3.717  -3.717
  185    HE2  TYR  25           HE2      TYR  25   0.558  -2.056  -2.056
  186    HH   TYR  25           HH       TYR  25  -0.050  -4.318  -4.318
  187    H    PHE  26           HN       PHE  26   1.180   2.021   2.021
  188    HA   PHE  26           HA       PHE  26  -0.421   4.308   4.308
  189   1HB   PHE  26          2HB       PHE  26   1.692   2.881   2.881
  190   2HB   PHE  26          3HB       PHE  26   1.177   4.478   4.478
  191    HD1  PHE  26          1HD       PHE  26  -0.577   1.166   1.166
  192    HD2  PHE  26          2HD       PHE  26  -0.294   4.831   4.831
  193    HE1  PHE  26          1HE       PHE  26  -1.911   0.190   0.190
  194    HE2  PHE  26          2HE       PHE  26  -1.707   3.883   3.883
  195    HZ   PHE  26           HZ       PHE  26  -2.286   1.461   1.461
  196    H    ARG  27           HN       ARG  27   1.373   6.109   6.109
  197    HA   ARG  27           HA       ARG  27   2.192   6.531   6.531
  198   1HB   ARG  27          2HB       ARG  27   1.826   8.129   8.129
  199   2HB   ARG  27          3HB       ARG  27   3.500   8.369   8.369
  200   1HG   ARG  27          2HG       ARG  27   2.592   8.638   8.638
  201   2HG   ARG  27          3HG       ARG  27   1.028   8.877   8.877
  202   1HD   ARG  27          2HD       ARG  27   2.011  11.065  11.065
  203   2HD   ARG  27          3HD       ARG  27   2.286  10.629  10.629
  204    HE   ARG  27           HE       ARG  27   4.462   9.625   9.625
  205   1HH1  ARG  27          2HH2      ARG  27   3.703  12.656  12.656
  206   2HH1  ARG  27          1HH2      ARG  27   4.770  13.597  13.597
  207   1HH2  ARG  27          2HH1      ARG  27   5.861  10.688  10.688
  208   2HH2  ARG  27          1HH1      ARG  27   5.696  12.428  12.428
  209    H    ASN  28           HN       ASN  28   4.217   6.903   6.903
  210    HA   ASN  28           HA       ASN  28   6.638   5.892   5.892
  211   1HB   ASN  28          2HB       ASN  28   7.727   5.583   5.583
  212   2HB   ASN  28          3HB       ASN  28   6.147   4.859   4.859
  213   1HD2  ASN  28          2HD2      ASN  28   6.254   6.380   6.380
  214   2HD2  ASN  28          1HD2      ASN  28   6.139   4.935   4.935
  215    H    GLY  29           HN       GLY  29   8.484   7.336   7.336
  216   1HA   GLY  29          1HA       GLY  29   7.659  10.199  10.199
  217   2HA   GLY  29          2HA       GLY  29   9.094   9.433   9.433
  218    H    LYS  30           HN       LYS  30   7.944   8.967   8.967
  219    HA   LYS  30           HA       LYS  30  10.360  10.376  10.376
  220   1HB   LYS  30          2HB       LYS  30  10.645   8.024   8.024
  221   2HB   LYS  30          3HB       LYS  30   9.056   7.732   7.732
  222   1HG   LYS  30          2HG       LYS  30   9.717   8.210   8.210
  223   2HG   LYS  30          3HG       LYS  30  10.648   9.622   9.622
  224   1HD   LYS  30          2HD       LYS  30  12.227   8.070   8.070
  225   2HD   LYS  30          3HD       LYS  30  12.490   8.232   8.232
  226   1HE   LYS  30          2HE       LYS  30  12.757   5.930   5.930
  227   2HE   LYS  30          3HE       LYS  30  11.239   6.050   6.050
  228   1HZ   LYS  30          3HZ       LYS  30  11.487   5.839   5.839
  229   2HZ   LYS  30          1HZ       LYS  30  11.131   4.612   4.612
  230   3HZ   LYS  30          2HZ       LYS  30  10.074   5.798   5.798
  231    H    GLY  31           HN       GLY  31   7.199   9.073   9.073
  232   1HA   GLY  31          1HA       GLY  31   5.991  11.566  11.566
  233   2HA   GLY  31          2HA       GLY  31   6.827  11.082  11.082
  234    H    GLY  32           HN       GLY  32   5.229   8.894   8.894
  235   1HA   GLY  32          1HA       GLY  32   2.769   8.603   8.603
  236   2HA   GLY  32          2HA       GLY  32   3.896   7.355   7.355
  237    H    CYS  33           HN       CYS  33   2.709   5.660   5.660
  238    HA   CYS  33           HA       CYS  33   2.806   5.692   5.692
  239   1HB   CYS  33          2HB       CYS  33   0.727   4.435   4.435
  240   2HB   CYS  33          3HB       CYS  33   1.007   3.962   3.962
  241    H    ASP  34           HN       ASP  34   2.763   3.298   3.298
  242    HA   ASP  34           HA       ASP  34   4.737   1.696   1.696
  243   1HB   ASP  34          2HB       ASP  34   5.577   3.298   3.298
  244   2HB   ASP  34          3HB       ASP  34   5.133   1.823   1.823
  245    H    SER  35           HN       SER  35   5.009  -0.354  -0.354
  246    HA   SER  35           HA       SER  35   2.507  -1.012  -1.012
  247   1HB   SER  35          2HB       SER  35   2.892  -3.268  -3.268
  248   2HB   SER  35          3HB       SER  35   1.446  -2.358  -2.358
  249    HG   SER  35           HG       SER  35   2.221  -0.746  -0.746
  250    H    PHE  36           HN       PHE  36   2.501  -3.310  -3.310
  251    HA   PHE  36           HA       PHE  36   4.859  -4.749  -4.749
  252   1HB   PHE  36          2HB       PHE  36   4.294  -3.938  -3.938
  253   2HB   PHE  36          3HB       PHE  36   5.382  -3.044  -3.044
  254    HD1  PHE  36          2HD       PHE  36   1.605  -2.835  -2.835
  255    HD2  PHE  36          1HD       PHE  36   5.367  -0.918  -0.918
  256    HE1  PHE  36          2HE       PHE  36   0.448  -0.766  -0.766
  257    HE2  PHE  36          1HE       PHE  36   4.145   1.161   1.161
  258    HZ   PHE  36           HZ       PHE  36   1.664   1.078   1.078
  259    H    TRP  37           HN       TRP  37   3.783  -6.075  -6.075
  260    HA   TRP  37           HA       TRP  37   0.875  -6.057  -6.057
  261   1HB   TRP  37          2HB       TRP  37   1.793  -8.029  -8.029
  262   2HB   TRP  37          3HB       TRP  37   3.094  -8.111  -8.111
  263    HD1  TRP  37           HD1      TRP  37   2.788  -8.932  -8.932
  264    HE1  TRP  37           HE1      TRP  37   1.622 -11.231 -11.231
  265    HE3  TRP  37           HE3      TRP  37  -0.641  -8.597  -8.597
  266    HZ2  TRP  37           HZ2      TRP  37   0.213 -12.423 -12.423
  267    HZ3  TRP  37           HZ3      TRP  37  -2.179 -10.450 -10.450
  268    HH2  TRP  37           HH2      TRP  37  -2.204 -12.524 -12.524
  269    H    ILE  38           HN       ILE  38   0.046  -6.113  -6.113
  270    HA   ILE  38           HA       ILE  38   1.870  -4.489  -4.489
  271    HB   ILE  38           HB       ILE  38  -0.673  -5.357  -5.357
  272   1HG1  ILE  38          2HG1      ILE  38  -0.563  -3.652  -3.652
  273   2HG1  ILE  38          3HG1      ILE  38  -1.541  -4.980  -4.980
  274   1HG2  ILE  38          2HG2      ILE  38   1.108  -3.839  -3.839
  275   2HG2  ILE  38          3HG2      ILE  38   0.755  -2.655  -2.655
  276   3HG2  ILE  38          1HG2      ILE  38  -0.504  -3.108  -3.108
  277   1HD1  ILE  38          2HD1      ILE  38  -2.677  -3.583  -3.583
  278   2HD1  ILE  38          3HD1      ILE  38  -1.660  -2.221  -2.221
  279   3HD1  ILE  38          1HD1      ILE  38  -2.802  -2.958  -2.958
  280    H    CYS  39           HN       CYS  39   3.346  -5.527  -5.527
  281    HA   CYS  39           HA       CYS  39   3.330  -8.402  -8.402
  282   1HB   CYS  39          2HB       CYS  39   5.173  -6.569  -6.569
  283   2HB   CYS  39          3HB       CYS  39   5.511  -8.180  -8.180
  284    HA   PRO  40           HA       PRO  40   1.510  -9.555  -9.555
  285   1HB   PRO  40          2HB       PRO  40   3.703 -10.792 -10.792
  286   2HB   PRO  40          3HB       PRO  40   2.425 -11.538 -11.538
  287   1HG   PRO  40          2HG       PRO  40   5.191 -10.679 -10.679
  288   2HG   PRO  40          3HG       PRO  40   4.283 -12.098 -12.098
  289   1HD   PRO  40          2HD       PRO  40   4.493  -9.979  -9.979
  290   2HD   PRO  40          3HD       PRO  40   2.905 -10.730 -10.730
  291    H    GLU  41           HN       GLU  41   4.633  -7.822  -7.822
  292    HA   GLU  41           HA       GLU  41   4.606  -6.892  -6.892
  293   1HB   GLU  41          2HB       GLU  41   6.091  -6.234  -6.234
  294   2HB   GLU  41          3HB       GLU  41   4.862  -5.083  -5.083
  295   1HG   GLU  41          2HG       GLU  41   5.117  -3.850  -3.850
  296   2HG   GLU  41          3HG       GLU  41   6.106  -5.132  -5.132
  297    H    ASP  42           HN       ASP  42   2.494  -5.701  -5.701
  298    HA   ASP  42           HA       ASP  42   1.071  -3.879  -3.879
  299   1HB   ASP  42          2HB       ASP  42   3.304  -3.032  -3.032
  300   2HB   ASP  42          3HB       ASP  42   2.244  -2.842  -2.842
  301    H    HIS  43           HN       HIS  43  -0.441  -5.754  -5.754
  302    HA   HIS  43           HA       HIS  43  -1.692  -5.717  -5.717
  303   1HB   HIS  43          2HB       HIS  43  -2.124  -7.295  -7.295
  304   2HB   HIS  43          3HB       HIS  43  -3.253  -7.353  -7.353
  305    HD1  HIS  43           HD1      HIS  43  -2.221 -10.056 -10.056
  306    HD2  HIS  43           HD2      HIS  43  -0.253  -7.215  -7.215
  307    HE1  HIS  43           HE1      HIS  43  -0.904 -11.350 -11.350
  308    H    THR  44           HN       THR  44  -1.886  -3.451  -3.451
  309    HA   THR  44           HA       THR  44  -3.986  -2.369  -2.369
  310    HB   THR  44           HB       THR  44  -2.009  -1.066  -1.066
  311    HG1  THR  44          1HG       THR  44  -4.054   0.099   0.099
  312   1HG2  THR  44          3HG2      THR  44  -2.424  -1.435  -1.435
  313   2HG2  THR  44          1HG2      THR  44  -1.593  -0.001  -0.001
  314   3HG2  THR  44          2HG2      THR  44  -0.953  -1.597  -1.597
  315    H    GLY  45           HN       GLY  45  -5.149  -4.322  -4.322
  316   1HA   GLY  45          1HA       GLY  45  -7.344  -4.457  -4.457
  317   2HA   GLY  45          2HA       GLY  45  -7.336  -2.719  -2.719
  318    H    ALA  46           HN       ALA  46  -5.161  -2.619  -2.619
  319    HA   ALA  46           HA       ALA  46  -4.892  -2.507  -2.507
  320   1HB   ALA  46          1HB       ALA  46  -4.293  -4.861  -4.861
  321   2HB   ALA  46          2HB       ALA  46  -5.953  -5.284  -5.284
  322   3HB   ALA  46          3HB       ALA  46  -4.897  -4.378  -4.378
  323    H    ASP  47           HN       ASP  47  -7.044  -1.221  -1.221
  324    HA   ASP  47           HA       ASP  47  -9.039  -1.365  -1.365
  325   1HB   ASP  47          2HB       ASP  47 -10.126  -1.185  -1.185
  326   2HB   ASP  47          3HB       ASP  47  -9.141   0.248   0.248
  327    H    TYR  48           HN       TYR  48  -7.261  -0.845  -0.845
  328    HA   TYR  48           HA       TYR  48  -6.753   2.090   2.090
  329   1HB   TYR  48          2HB       TYR  48  -4.646  -0.067  -0.067
  330   2HB   TYR  48          3HB       TYR  48  -4.353   1.666   1.666
  331    HD1  TYR  48           HD2      TYR  48  -5.615   2.841   2.841
  332    HD2  TYR  48           HD1      TYR  48  -3.780  -1.028  -1.028
  333    HE1  TYR  48           HE2      TYR  48  -5.687   2.566   2.566
  334    HE2  TYR  48           HE1      TYR  48  -3.515  -1.079  -1.079
  335    HH   TYR  48           HH       TYR  48  -4.138   1.794   1.794
  336    H    TYR  49           HN       TYR  49  -5.351   2.346   2.346
  337    HA   TYR  49           HA       TYR  49  -7.143   1.571   1.571
  338   1HB   TYR  49          2HB       TYR  49  -4.324   2.685   2.685
  339   2HB   TYR  49          3HB       TYR  49  -5.391   2.613   2.613
  340    HD1  TYR  49           HD1      TYR  49  -7.874   3.662   3.662
  341    HD2  TYR  49           HD2      TYR  49  -4.209   4.737   4.737
  342    HE1  TYR  49           HE1      TYR  49  -8.982   5.646   5.646
  343    HE2  TYR  49           HE2      TYR  49  -5.281   6.795   6.795
  344    HH   TYR  49           HH       TYR  49  -7.422   7.672   7.672
  345    H    SER  50           HN       SER  50  -7.156  -0.237  -0.237
  346    HA   SER  50           HA       SER  50  -5.090  -2.289  -2.289
  347   1HB   SER  50          2HB       SER  50  -7.016  -3.754  -3.754
  348   2HB   SER  50          3HB       SER  50  -7.184  -2.934  -2.934
  349    HG   SER  50           HG       SER  50  -8.942  -2.850  -2.850
  350    H    SER  51           HN       SER  51  -5.289   0.027   0.027
  351    HA   SER  51           HA       SER  51  -3.696  -1.752  -1.752
  352   1HB   SER  51          2HB       SER  51  -4.478  -0.973  -0.973
  353   2HB   SER  51          3HB       SER  51  -5.890  -1.646  -1.646
  354    HG   SER  51           HG       SER  51  -6.582   0.486   0.486
  355    H    TYR  52           HN       TYR  52  -2.096  -0.568  -0.568
  356    HA   TYR  52           HA       TYR  52  -1.005   1.716   1.716
  357   1HB   TYR  52          2HB       TYR  52   0.329   0.178   0.178
  358   2HB   TYR  52          3HB       TYR  52  -0.615   0.621   0.621
  359    HD1  TYR  52           HD1      TYR  52  -0.513   3.060   3.060
  360    HD2  TYR  52           HD2      TYR  52   2.380   1.279   1.279
  361    HE1  TYR  52           HE1      TYR  52   1.125   4.780   4.780
  362    HE2  TYR  52           HE2      TYR  52   4.079   2.869   2.869
  363    HH   TYR  52           HH       TYR  52   3.539   4.996   4.996
  364    H    ARG  53           HN       ARG  53  -2.894   1.393   1.393
  365    HA   ARG  53           HA       ARG  53  -3.083   4.104   4.104
  366   1HB   ARG  53          2HB       ARG  53  -3.776   2.398   2.398
  367   2HB   ARG  53          3HB       ARG  53  -5.148   1.936   1.936
  368   1HG   ARG  53          2HG       ARG  53  -6.293   3.979   3.979
  369   2HG   ARG  53          3HG       ARG  53  -4.833   4.787   4.787
  370   1HD   ARG  53          2HD       ARG  53  -6.551   4.117   4.117
  371   2HD   ARG  53          3HD       ARG  53  -4.885   3.685   3.685
  372    HE   ARG  53           HE       ARG  53  -7.102   1.895   1.895
  373   1HH1  ARG  53          2HH2      ARG  53  -3.974   2.164   2.164
  374   2HH1  ARG  53          1HH2      ARG  53  -4.044   0.508   0.508
  375   1HH2  ARG  53          2HH1      ARG  53  -6.971  -0.326  -0.326
  376   2HH2  ARG  53          1HH1      ARG  53  -5.986  -0.781  -0.781
  377    H    ASP  54           HN       ASP  54  -5.347   2.235   2.235
  378    HA   ASP  54           HA       ASP  54  -7.060   4.356   4.356
  379   1HB   ASP  54          2HB       ASP  54  -6.119   1.892   1.892
  380   2HB   ASP  54          3HB       ASP  54  -7.014   3.157   3.157
  381    H    CYS  55           HN       CYS  55  -4.116   3.306   3.306
  382    HA   CYS  55           HA       CYS  55  -4.094   5.445   5.445
  383   1HB   CYS  55          2HB       CYS  55  -2.720   3.505   3.505
  384   2HB   CYS  55          3HB       CYS  55  -1.825   3.812   3.812
  385    H    PHE  56           HN       PHE  56  -2.631   5.239   5.239
  386    HA   PHE  56           HA       PHE  56  -1.203   7.647   7.647
  387   1HB   PHE  56          2HB       PHE  56  -1.139   5.752   5.752
  388   2HB   PHE  56          3HB       PHE  56  -2.587   6.437   6.437
  389    HD1  PHE  56          2HD       PHE  56  -2.472   8.841   8.841
  390    HD2  PHE  56          1HD       PHE  56   1.027   6.634   6.634
  391    HE1  PHE  56          2HE       PHE  56  -1.057  10.231  10.231
  392    HE2  PHE  56          1HE       PHE  56   2.419   7.983   7.983
  393    HZ   PHE  56           HZ       PHE  56   1.372   9.777   9.777
  394    H    ASN  57           HN       ASN  57  -4.596   6.946   6.946
  395    HA   ASN  57           HA       ASN  57  -5.001   9.729   9.729
  396   1HB   ASN  57          2HB       ASN  57  -6.888   7.350   7.350
  397   2HB   ASN  57          3HB       ASN  57  -7.501   8.975   8.975
  398   1HD2  ASN  57          2HD2      ASN  57  -5.362   7.055   7.055
  399   2HD2  ASN  57          1HD2      ASN  57  -5.126   6.601   6.601
  400    H    ALA  58           HN       ALA  58  -5.554   7.820   7.820
  401    HA   ALA  58           HA       ALA  58  -7.241   9.723   9.723
  402   1HB   ALA  58          1HB       ALA  58  -6.902   7.340   7.340
  403   2HB   ALA  58          2HB       ALA  58  -5.257   7.755   7.755
  404   3HB   ALA  58          3HB       ALA  58  -6.640   8.531   8.531
  405    H    CYS  59           HN       CYS  59  -3.721   9.427   9.427
  406    HA   CYS  59           HA       CYS  59  -3.387  11.657  11.657
  407   1HB   CYS  59          2HB       CYS  59  -2.912   9.343   9.343
  408   2HB   CYS  59          3HB       CYS  59  -1.596   9.278   9.278
  409    H    ILE  60           HN       ILE  60  -2.619  10.841  10.841
  410    HA   ILE  60           HA       ILE  60  -0.314  12.750  12.750
  411    HB   ILE  60           HB       ILE  60  -1.018  10.665  10.665
  412   1HG1  ILE  60          2HG1      ILE  60  -0.467   9.525   9.525
  413   2HG1  ILE  60          3HG1      ILE  60   0.674   9.220   9.220
  414   1HG2  ILE  60          3HG2      ILE  60   1.393  12.439  12.439
  415   2HG2  ILE  60          1HG2      ILE  60   1.448  10.941  10.941
  416   3HG2  ILE  60          2HG2      ILE  60   0.371  12.250  12.250
  417   1HD1  ILE  60          3HD1      ILE  60   1.085  11.207  11.207
  418   2HD1  ILE  60          1HD1      ILE  60   1.781   9.585   9.585
  419   3HD1  ILE  60          2HD1      ILE  60   2.273  10.833  10.833

  Start of MODEL   19
    1    H    TYR   1           HN       TYR   1  -8.077  16.207  16.207
    2    HA   TYR   1           HA       TYR   1  -9.028  13.781  13.781
    3   1HB   TYR   1          2HB       TYR   1  -7.334  12.994  12.994
    4   2HB   TYR   1          3HB       TYR   1  -7.412  14.710  14.710
    5    HD1  TYR   1           HD1      TYR   1  -5.578  15.766  15.766
    6    HD2  TYR   1           HD2      TYR   1  -5.268  12.363  12.363
    7    HE1  TYR   1           HE1      TYR   1  -3.171  16.117  16.117
    8    HE2  TYR   1           HE2      TYR   1  -2.859  12.761  12.761
    9    HH   TYR   1           HH       TYR   1  -1.373  14.593  14.593
   10    H    ASN   2           HN       ASN   2  -8.860  11.750  11.750
   11    HA   ASN   2           HA       ASN   2  -7.094  11.487  11.487
   12   1HB   ASN   2          2HB       ASN   2  -8.845   9.491   9.491
   13   2HB   ASN   2          3HB       ASN   2  -7.757   9.086   9.086
   14   1HD2  ASN   2          2HD2      ASN   2 -10.390   9.739   9.739
   15   2HD2  ASN   2          1HD2      ASN   2  -9.341   8.532   8.532
   16    H    ARG   3           HN       ARG   3  -5.038  11.770  11.770
   17    HA   ARG   3           HA       ARG   3  -3.891  11.070  11.070
   18   1HB   ARG   3          2HB       ARG   3  -3.233  12.920  12.920
   19   2HB   ARG   3          3HB       ARG   3  -2.625  11.716  11.716
   20   1HG   ARG   3          2HG       ARG   3  -1.050  10.903  10.903
   21   2HG   ARG   3          3HG       ARG   3  -1.595  12.250  12.250
   22   1HD   ARG   3          2HD       ARG   3  -0.140  12.451  12.451
   23   2HD   ARG   3          3HD       ARG   3   0.535  12.788  12.788
   24    HE   ARG   3           HE       ARG   3  -0.459  14.828  14.828
   25   1HH1  ARG   3          2HH2      ARG   3  -1.588  13.140  13.140
   26   2HH1  ARG   3          1HH2      ARG   3  -2.109  14.567  14.567
   27   1HH2  ARG   3          2HH1      ARG   3  -1.538  16.684  16.684
   28   2HH2  ARG   3          1HH1      ARG   3  -2.151  16.613  16.613
   29    H    LEU   4           HN       LEU   4  -4.610   8.795   8.795
   30    HA   LEU   4           HA       LEU   4  -3.077   6.879   6.879
   31   1HB   LEU   4          2HB       LEU   4  -5.300   6.571   6.571
   32   2HB   LEU   4          3HB       LEU   4  -4.416   5.197   5.197
   33    HG   LEU   4           HG       LEU   4  -5.911   7.236   7.236
   34   1HD1  LEU   4          1HD1      LEU   4  -7.476   6.004   6.004
   35   2HD1  LEU   4          2HD1      LEU   4  -6.800   4.460   4.460
   36   3HD1  LEU   4          3HD1      LEU   4  -7.639   5.533   5.533
   37   1HD2  LEU   4          2HD2      LEU   4  -4.437   4.642   4.642
   38   2HD2  LEU   4          3HD2      LEU   4  -4.289   6.201   6.201
   39   3HD2  LEU   4          1HD2      LEU   4  -5.728   5.220   5.220
   40    H    CYS   5           HN       CYS   5  -3.414   8.006   8.006
   41    HA   CYS   5           HA       CYS   5  -1.738   6.320   6.320
   42   1HB   CYS   5          2HB       CYS   5  -2.837   8.205   8.205
   43   2HB   CYS   5          3HB       CYS   5  -1.921   9.355   9.355
   44    H    ILE   6           HN       ILE   6  -0.743   9.040   9.040
   45    HA   ILE   6           HA       ILE   6   2.034   8.717   8.717
   46    HB   ILE   6           HB       ILE   6   1.065  10.469  10.469
   47   1HG1  ILE   6          2HG1      ILE   6  -0.502  10.918  10.918
   48   2HG1  ILE   6          3HG1      ILE   6   0.563  12.256  12.256
   49   1HG2  ILE   6          3HG2      ILE   6   3.468  10.139  10.139
   50   2HG2  ILE   6          1HG2      ILE   6   3.302  10.651  10.651
   51   3HG2  ILE   6          2HG2      ILE   6   2.965  11.806  11.806
   52   1HD1  ILE   6          2HD1      ILE   6   1.041  10.319  10.319
   53   2HD1  ILE   6          3HD1      ILE   6   0.150  11.847  11.847
   54   3HD1  ILE   6          1HD1      ILE   6   1.861  11.876  11.876
   55    H    LYS   7           HN       LYS   7   2.825   6.834   6.834
   56    HA   LYS   7           HA       LYS   7   2.000   5.330   5.330
   57   1HB   LYS   7          2HB       LYS   7   3.356   4.556   4.556
   58   2HB   LYS   7          3HB       LYS   7   4.767   5.233   5.233
   59   1HG   LYS   7          2HG       LYS   7   3.220   3.411   3.411
   60   2HG   LYS   7          3HG       LYS   7   3.859   2.648   2.648
   61   1HD   LYS   7          2HD       LYS   7   5.892   4.374   4.374
   62   2HD   LYS   7          3HD       LYS   7   5.232   3.171   3.171
   63   1HE   LYS   7          2HE       LYS   7   7.019   2.024   2.024
   64   2HE   LYS   7          3HE       LYS   7   5.691   1.426   1.426
   65   1HZ   LYS   7          1HZ       LYS   7   6.372   3.235   3.235
   66   2HZ   LYS   7          2HZ       LYS   7   7.680   3.475   3.475
   67   3HZ   LYS   7          3HZ       LYS   7   7.455   2.023   2.023
   68    HA   PRO   8           HA       PRO   8   3.921   8.096   8.096
   69   1HB   PRO   8          2HB       PRO   8   2.405   7.638   7.638
   70   2HB   PRO   8          3HB       PRO   8   1.651   8.194   8.194
   71   1HG   PRO   8          2HG       PRO   8   1.925   5.332   5.332
   72   2HG   PRO   8          3HG       PRO   8   0.420   6.173   6.173
   73   1HD   PRO   8          2HD       PRO   8   1.792   4.641   4.641
   74   2HD   PRO   8          3HD       PRO   8   1.001   6.163   6.163
   75    H    ARG   9           HN       ARG   9   5.407   5.989   5.989
   76    HA   ARG   9           HA       ARG   9   7.377   5.075   5.075
   77   1HB   ARG   9          2HB       ARG   9   7.532   7.512   7.512
   78   2HB   ARG   9          3HB       ARG   9   7.315   6.832   6.832
   79   1HG   ARG   9          2HG       ARG   9   9.641   6.979   6.979
   80   2HG   ARG   9          3HG       ARG   9   9.370   5.299   5.299
   81   1HD   ARG   9          2HD       ARG   9  10.930   6.032   6.032
   82   2HD   ARG   9          3HD       ARG   9   9.418   5.947   5.947
   83    HE   ARG   9           HE       ARG   9  10.610   8.478   8.478
   84   1HH1  ARG   9          2HH2      ARG   9   9.676   6.955   6.955
   85   2HH1  ARG   9          1HH2      ARG   9   9.098   8.398   8.398
   86   1HH2  ARG   9          2HH1      ARG   9  10.239  10.342  10.342
   87   2HH2  ARG   9          1HH1      ARG   9   9.225  10.436  10.436
   88    H    ASP  10           HN       ASP  10   4.868   3.773   3.773
   89    HA   ASP  10           HA       ASP  10   6.041   2.330   2.330
   90   1HB   ASP  10          2HB       ASP  10   4.376   4.457   4.457
   91   2HB   ASP  10          3HB       ASP  10   3.153   3.217   3.217
   92    H    TRP  11           HN       TRP  11   6.345   1.123   1.123
   93    HA   TRP  11           HA       TRP  11   4.317  -0.981  -0.981
   94   1HB   TRP  11          2HB       TRP  11   3.409   0.755   0.755
   95   2HB   TRP  11          3HB       TRP  11   4.890   1.145   1.145
   96    HD1  TRP  11           HD1      TRP  11   5.686  -1.712  -1.712
   97    HE1  TRP  11           HE1      TRP  11   4.318  -2.837  -2.837
   98    HE3  TRP  11           HE3      TRP  11   1.531   0.989   0.989
   99    HZ2  TRP  11           HZ2      TRP  11   1.650  -2.553  -2.553
  100    HZ3  TRP  11           HZ3      TRP  11  -0.607   0.302   0.302
  101    HH2  TRP  11           HH2      TRP  11  -0.515  -1.428  -1.428
  102    H    ILE  12           HN       ILE  12   5.310  -2.829  -2.829
  103    HA   ILE  12           HA       ILE  12   8.271  -2.905  -2.905
  104    HB   ILE  12           HB       ILE  12   6.154  -4.909  -4.909
  105   1HG1  ILE  12          2HG1      ILE  12   8.253  -3.296  -3.296
  106   2HG1  ILE  12          3HG1      ILE  12   6.505  -3.083  -3.083
  107   1HG2  ILE  12          3HG2      ILE  12   8.205  -5.990  -5.990
  108   2HG2  ILE  12          1HG2      ILE  12   9.181  -5.186  -5.186
  109   3HG2  ILE  12          2HG2      ILE  12   7.947  -6.387  -6.387
  110   1HD1  ILE  12          2HD1      ILE  12   6.246  -5.378  -5.378
  111   2HD1  ILE  12          3HD1      ILE  12   8.018  -5.476  -5.476
  112   3HD1  ILE  12          1HD1      ILE  12   7.093  -4.256  -4.256
  113    H    ASP  13           HN       ASP  13   8.035  -2.203  -2.203
  114    HA   ASP  13           HA       ASP  13   6.630  -3.777  -3.777
  115   1HB   ASP  13          2HB       ASP  13   6.787  -1.459  -1.459
  116   2HB   ASP  13          3HB       ASP  13   8.496  -1.408  -1.408
  117    H    GLU  14           HN       GLU  14   7.612  -5.806  -5.806
  118    HA   GLU  14           HA       GLU  14  10.241  -6.379  -6.379
  119   1HB   GLU  14          2HB       GLU  14   9.164  -7.462  -7.462
  120   2HB   GLU  14          3HB       GLU  14  10.512  -8.119  -8.119
  121   1HG   GLU  14          2HG       GLU  14  11.712  -5.946  -5.946
  122   2HG   GLU  14          3HG       GLU  14  10.353  -5.333  -5.333
  123    H    CYS  15           HN       CYS  15   7.095  -7.684  -7.684
  124    HA   CYS  15           HA       CYS  15   7.756 -10.370 -10.370
  125   1HB   CYS  15          2HB       CYS  15   5.217  -9.050  -9.050
  126   2HB   CYS  15          3HB       CYS  15   5.395 -10.803 -10.803
  127    H    ASP  16           HN       ASP  16   6.058 -11.653 -11.653
  128    HA   ASP  16           HA       ASP  16   5.364 -10.192 -10.192
  129   1HB   ASP  16          2HB       ASP  16   5.775 -13.160 -13.160
  130   2HB   ASP  16          3HB       ASP  16   5.268 -12.413 -12.413
  131    H    SER  17           HN       SER  17   3.356 -11.483 -11.483
  132    HA   SER  17           HA       SER  17   1.000 -11.495 -11.495
  133   1HB   SER  17          2HB       SER  17   0.482 -13.283 -13.283
  134   2HB   SER  17          3HB       SER  17   0.358 -11.553 -11.553
  135    HG   SER  17           HG       SER  17   2.561 -13.198 -13.198
  136    H    ASN  18           HN       ASN  18  -0.051 -13.515 -13.515
  137    HA   ASN  18           HA       ASN  18  -0.285 -15.699 -15.699
  138   1HB   ASN  18          2HB       ASN  18   1.355 -16.315 -16.315
  139   2HB   ASN  18          3HB       ASN  18   2.579 -16.440 -16.440
  140   1HD2  ASN  18          2HD2      ASN  18   0.515 -19.193 -19.193
  141   2HD2  ASN  18          1HD2      ASN  18   0.995 -17.618 -17.618
  142    H    GLU  19           HN       GLU  19   2.777 -14.131 -14.131
  143    HA   GLU  19           HA       GLU  19   3.097 -15.226 -15.226
  144   1HB   GLU  19          2HB       GLU  19   4.943 -14.487 -14.487
  145   2HB   GLU  19          3HB       GLU  19   4.308 -12.843 -12.843
  146   1HG   GLU  19          2HG       GLU  19   6.147 -12.828 -12.828
  147   2HG   GLU  19          3HG       GLU  19   4.836 -13.010 -13.010
  148    H    GLY  20           HN       GLY  20   0.672 -14.574 -14.574
  149   1HA   GLY  20          1HA       GLY  20  -0.813 -13.430 -13.430
  150   2HA   GLY  20          2HA       GLY  20   0.525 -12.434 -12.434
  151    H    GLY  21           HN       GLY  21   1.301 -10.813 -10.813
  152   1HA   GLY  21          1HA       GLY  21  -0.503  -8.817  -8.817
  153   2HA   GLY  21          2HA       GLY  21   0.891  -8.785  -8.785
  154    H    GLU  22           HN       GLU  22  -1.807  -7.946  -7.946
  155    HA   GLU  22           HA       GLU  22  -2.868  -8.997  -8.997
  156   1HB   GLU  22          2HB       GLU  22  -4.299  -8.469  -8.469
  157   2HB   GLU  22          3HB       GLU  22  -3.759  -6.776  -6.776
  158   1HG   GLU  22          2HG       GLU  22  -4.941  -6.543  -6.543
  159   2HG   GLU  22          3HG       GLU  22  -5.405  -8.264  -8.264
  160    H    ARG  23           HN       ARG  23  -3.118  -7.086  -7.086
  161    HA   ARG  23           HA       ARG  23  -0.525  -5.620  -5.620
  162   1HB   ARG  23          2HB       ARG  23  -1.927  -6.902  -6.902
  163   2HB   ARG  23          3HB       ARG  23  -2.155  -5.178  -5.178
  164   1HG   ARG  23          2HG       ARG  23   0.252  -4.808  -4.808
  165   2HG   ARG  23          3HG       ARG  23   0.531  -6.504  -6.504
  166   1HD   ARG  23          2HD       ARG  23  -0.486  -6.895  -6.895
  167   2HD   ARG  23          3HD       ARG  23  -0.358  -5.147  -5.147
  168    HE   ARG  23           HE       ARG  23   2.171  -6.027  -6.027
  169   1HH1  ARG  23          2HH2      ARG  23   0.036  -6.395  -6.395
  170   2HH1  ARG  23          1HH2      ARG  23   1.146  -7.315  -7.315
  171   1HH2  ARG  23          2HH1      ARG  23   3.835  -7.038  -7.038
  172   2HH2  ARG  23          1HH1      ARG  23   3.297  -7.746  -7.746
  173    H    ALA  24           HN       ALA  24  -0.438  -3.341  -3.341
  174    HA   ALA  24           HA       ALA  24  -2.974  -1.955  -1.955
  175   1HB   ALA  24          3HB       ALA  24  -2.566  -1.764  -1.764
  176   2HB   ALA  24          1HB       ALA  24  -1.044  -0.925  -0.925
  177   3HB   ALA  24          2HB       ALA  24  -2.583  -0.207  -0.207
  178    H    TYR  25           HN       TYR  25  -2.538   0.232   0.232
  179    HA   TYR  25           HA       TYR  25   0.217   0.639   0.639
  180   1HB   TYR  25          2HB       TYR  25  -2.505   1.361   1.361
  181   2HB   TYR  25          3HB       TYR  25  -0.952   2.034   2.034
  182    HD1  TYR  25           HD1      TYR  25  -2.646  -1.315  -1.315
  183    HD2  TYR  25           HD2      TYR  25   0.241   1.046   1.046
  184    HE1  TYR  25           HE1      TYR  25  -2.011  -3.296  -3.296
  185    HE2  TYR  25           HE2      TYR  25   0.781  -0.918  -0.918
  186    HH   TYR  25           HH       TYR  25  -0.560  -4.135  -4.135
  187    H    PHE  26           HN       PHE  26   1.168   2.477   2.477
  188    HA   PHE  26           HA       PHE  26  -0.335   4.705   4.705
  189   1HB   PHE  26          2HB       PHE  26   1.684   2.907   2.907
  190   2HB   PHE  26          3HB       PHE  26   1.718   4.587   4.587
  191    HD1  PHE  26          1HD       PHE  26  -1.796   3.872   3.872
  192    HD2  PHE  26          2HD       PHE  26   1.569   3.537   3.537
  193    HE1  PHE  26          1HE       PHE  26  -3.276   3.257   3.257
  194    HE2  PHE  26          2HE       PHE  26   0.074   2.853   2.853
  195    HZ   PHE  26           HZ       PHE  26  -2.279   2.374   2.374
  196    H    ARG  27           HN       ARG  27   1.760   6.343   6.343
  197    HA   ARG  27           HA       ARG  27   2.619   6.973   6.973
  198   1HB   ARG  27          2HB       ARG  27   2.262   8.481   8.481
  199   2HB   ARG  27          3HB       ARG  27   4.010   8.250   8.250
  200   1HG   ARG  27          2HG       ARG  27   4.134   9.046   9.046
  201   2HG   ARG  27          3HG       ARG  27   2.410   9.446   9.446
  202   1HD   ARG  27          2HD       ARG  27   3.217  10.791  10.791
  203   2HD   ARG  27          3HD       ARG  27   4.812  10.661  10.661
  204    HE   ARG  27           HE       ARG  27   2.571  12.365  12.365
  205   1HH1  ARG  27          2HH2      ARG  27   5.766  11.301  11.301
  206   2HH1  ARG  27          1HH2      ARG  27   5.933  12.567  12.567
  207   1HH2  ARG  27          2HH1      ARG  27   2.530  13.523  13.523
  208   2HH2  ARG  27          1HH1      ARG  27   3.961  13.559  13.559
  209    H    ASN  28           HN       ASN  28   4.583   6.700   6.700
  210    HA   ASN  28           HA       ASN  28   6.750   5.209   5.209
  211   1HB   ASN  28          2HB       ASN  28   7.842   4.887   4.887
  212   2HB   ASN  28          3HB       ASN  28   6.173   4.637   4.637
  213   1HD2  ASN  28          2HD2      ASN  28   6.798   8.186   8.186
  214   2HD2  ASN  28          1HD2      ASN  28   6.092   7.894   7.894
  215    H    GLY  29           HN       GLY  29   8.840   6.284   6.284
  216   1HA   GLY  29          1HA       GLY  29   8.509   9.182   9.182
  217   2HA   GLY  29          2HA       GLY  29   9.872   8.150   8.150
  218    H    LYS  30           HN       LYS  30   8.270   8.615   8.615
  219    HA   LYS  30           HA       LYS  30  10.462  10.138  10.138
  220   1HB   LYS  30          2HB       LYS  30  10.045   7.253   7.253
  221   2HB   LYS  30          3HB       LYS  30  10.902   8.466   8.466
  222   1HG   LYS  30          2HG       LYS  30  12.596   8.737   8.737
  223   2HG   LYS  30          3HG       LYS  30  11.791   7.464   7.464
  224   1HD   LYS  30          2HD       LYS  30  12.035   5.906   5.906
  225   2HD   LYS  30          3HD       LYS  30  12.965   7.127   7.127
  226   1HE   LYS  30          2HE       LYS  30  14.746   7.032   7.032
  227   2HE   LYS  30          3HE       LYS  30  13.761   6.137   6.137
  228   1HZ   LYS  30          2HZ       LYS  30  13.774   4.245   4.245
  229   2HZ   LYS  30          3HZ       LYS  30  14.707   5.096   5.096
  230   3HZ   LYS  30          1HZ       LYS  30  15.294   4.715   4.715
  231    H    GLY  31           HN       GLY  31   7.895  10.968  10.968
  232   1HA   GLY  31          1HA       GLY  31   6.205  11.917  11.917
  233   2HA   GLY  31          2HA       GLY  31   7.344  11.828  11.828
  234    H    GLY  32           HN       GLY  32   5.056   9.794   9.794
  235   1HA   GLY  32          1HA       GLY  32   3.208   9.176   9.176
  236   2HA   GLY  32          2HA       GLY  32   4.495   8.066   8.066
  237    H    CYS  33           HN       CYS  33   2.891   6.407   6.407
  238    HA   CYS  33           HA       CYS  33   2.652   5.964   5.964
  239   1HB   CYS  33          2HB       CYS  33   1.028   5.116   5.116
  240   2HB   CYS  33          3HB       CYS  33   0.966   4.205   4.205
  241    H    ASP  34           HN       ASP  34   2.727   3.733   3.733
  242    HA   ASP  34           HA       ASP  34   4.807   2.055   2.055
  243   1HB   ASP  34          2HB       ASP  34   5.273   3.594   3.594
  244   2HB   ASP  34          3HB       ASP  34   4.579   2.180   2.180
  245    H    SER  35           HN       SER  35   4.688  -0.090  -0.090
  246    HA   SER  35           HA       SER  35   2.353  -0.420  -0.420
  247   1HB   SER  35          2HB       SER  35   1.428  -2.510  -2.510
  248   2HB   SER  35          3HB       SER  35   1.089  -0.962  -0.962
  249    HG   SER  35           HG       SER  35   2.844  -1.370  -1.370
  250    H    PHE  36           HN       PHE  36   2.242  -2.769  -2.769
  251    HA   PHE  36           HA       PHE  36   4.667  -4.234  -4.234
  252   1HB   PHE  36          2HB       PHE  36   4.698  -3.359  -3.359
  253   2HB   PHE  36          3HB       PHE  36   5.511  -2.489  -2.489
  254    HD1  PHE  36          2HD       PHE  36   1.816  -1.890  -1.890
  255    HD2  PHE  36          1HD       PHE  36   5.752  -0.723  -0.723
  256    HE1  PHE  36          2HE       PHE  36   0.930   0.255   0.255
  257    HE2  PHE  36          1HE       PHE  36   4.836   1.446   1.446
  258    HZ   PHE  36           HZ       PHE  36   2.346   1.732   1.732
  259    H    TRP  37           HN       TRP  37   4.408  -5.557  -5.557
  260    HA   TRP  37           HA       TRP  37   1.579  -6.176  -6.176
  261   1HB   TRP  37          2HB       TRP  37   4.074  -7.836  -7.836
  262   2HB   TRP  37          3HB       TRP  37   2.379  -8.313  -8.313
  263    HD1  TRP  37           HD1      TRP  37   5.026  -7.655  -7.655
  264    HE1  TRP  37           HE1      TRP  37   4.198  -8.366  -8.366
  265    HE3  TRP  37           HE3      TRP  37   0.201  -8.624  -8.624
  266    HZ2  TRP  37           HZ2      TRP  37   1.599  -9.046  -9.046
  267    HZ3  TRP  37           HZ3      TRP  37  -1.473  -8.949  -8.949
  268    HH2  TRP  37           HH2      TRP  37  -0.780  -9.322  -9.322
  269    H    ILE  38           HN       ILE  38   1.189  -6.292  -6.292
  270    HA   ILE  38           HA       ILE  38   2.654  -4.103  -4.103
  271    HB   ILE  38           HB       ILE  38   0.329  -5.470  -5.470
  272   1HG1  ILE  38          2HG1      ILE  38   0.291  -3.791  -3.791
  273   2HG1  ILE  38          3HG1      ILE  38  -0.521  -5.272  -5.272
  274   1HG2  ILE  38          1HG2      ILE  38   1.591  -3.506  -3.506
  275   2HG2  ILE  38          2HG2      ILE  38   1.032  -2.510  -2.510
  276   3HG2  ILE  38          3HG2      ILE  38  -0.129  -3.243  -3.243
  277   1HD1  ILE  38          1HD1      ILE  38  -2.018  -4.152  -4.152
  278   2HD1  ILE  38          2HD1      ILE  38  -1.262  -2.580  -2.580
  279   3HD1  ILE  38          3HD1      ILE  38  -2.069  -3.446  -3.446
  280    H    CYS  39           HN       CYS  39   2.977  -7.470  -7.470
  281    HA   CYS  39           HA       CYS  39   3.937  -9.000  -9.000
  282   1HB   CYS  39          2HB       CYS  39   5.171  -6.666  -6.666
  283   2HB   CYS  39          3HB       CYS  39   5.178  -8.217  -8.217
  284    HA   PRO  40           HA       PRO  40   0.733 -10.171 -10.171
  285   1HB   PRO  40          2HB       PRO  40   1.869 -11.820 -11.820
  286   2HB   PRO  40          3HB       PRO  40   1.463 -12.298 -12.298
  287   1HG   PRO  40          2HG       PRO  40   4.137 -11.542 -11.542
  288   2HG   PRO  40          3HG       PRO  40   3.747 -12.759 -12.759
  289   1HD   PRO  40          2HD       PRO  40   4.774 -10.316 -10.316
  290   2HD   PRO  40          3HD       PRO  40   3.682 -11.142 -11.142
  291    H    GLU  41           HN       GLU  41   3.602  -9.381  -9.381
  292    HA   GLU  41           HA       GLU  41   2.732  -8.640  -8.640
  293   1HB   GLU  41          2HB       GLU  41   5.055  -8.824  -8.824
  294   2HB   GLU  41          3HB       GLU  41   4.823  -7.479  -7.479
  295   1HG   GLU  41          2HG       GLU  41   6.094  -6.730  -6.730
  296   2HG   GLU  41          3HG       GLU  41   4.519  -5.930  -5.930
  297    H    ASP  42           HN       ASP  42   2.362  -6.697  -6.697
  298    HA   ASP  42           HA       ASP  42   1.570  -4.369  -4.369
  299   1HB   ASP  42          2HB       ASP  42   3.827  -4.792  -4.792
  300   2HB   ASP  42          3HB       ASP  42   2.815  -3.526  -3.526
  301    H    HIS  43           HN       HIS  43  -0.072  -6.346  -6.346
  302    HA   HIS  43           HA       HIS  43  -1.126  -5.438  -5.438
  303   1HB   HIS  43          2HB       HIS  43  -2.703  -6.428  -6.428
  304   2HB   HIS  43          3HB       HIS  43  -3.341  -6.294  -6.294
  305    HD1  HIS  43           HD1      HIS  43  -2.912  -9.093  -9.093
  306    HD2  HIS  43           HD2      HIS  43  -0.672  -7.441  -7.441
  307    HE1  HIS  43           HE1      HIS  43  -2.167 -11.053 -11.053
  308    H    THR  44           HN       THR  44  -2.277  -3.881  -3.881
  309    HA   THR  44           HA       THR  44  -3.642  -2.099  -2.099
  310    HB   THR  44           HB       THR  44  -1.635  -0.929  -0.929
  311    HG1  THR  44          1HG       THR  44  -3.728   0.223   0.223
  312   1HG2  THR  44          2HG2      THR  44  -2.352  -1.149  -1.149
  313   2HG2  THR  44          3HG2      THR  44  -1.255   0.108   0.108
  314   3HG2  THR  44          1HG2      THR  44  -0.837  -1.579  -1.579
  315    H    GLY  45           HN       GLY  45  -4.890  -4.122  -4.122
  316   1HA   GLY  45          1HA       GLY  45  -6.729  -4.798  -4.798
  317   2HA   GLY  45          2HA       GLY  45  -7.239  -3.110  -3.110
  318    H    ALA  46           HN       ALA  46  -4.328  -3.292  -3.292
  319    HA   ALA  46           HA       ALA  46  -3.994  -2.445  -2.445
  320   1HB   ALA  46          2HB       ALA  46  -3.816  -4.902  -4.902
  321   2HB   ALA  46          3HB       ALA  46  -5.499  -4.901  -4.901
  322   3HB   ALA  46          1HB       ALA  46  -4.261  -4.038  -4.038
  323    H    ASP  47           HN       ASP  47  -6.153  -1.085  -1.085
  324    HA   ASP  47           HA       ASP  47  -8.493  -1.465  -1.465
  325   1HB   ASP  47          2HB       ASP  47  -8.567  -0.986  -0.986
  326   2HB   ASP  47          3HB       ASP  47  -7.939   0.640   0.640
  327    H    TYR  48           HN       TYR  48  -6.923  -0.965  -0.965
  328    HA   TYR  48           HA       TYR  48  -6.795   1.977   1.977
  329   1HB   TYR  48          2HB       TYR  48  -4.644  -0.136  -0.136
  330   2HB   TYR  48          3HB       TYR  48  -4.396   1.586   1.586
  331    HD1  TYR  48           HD2      TYR  48  -5.726   2.814   2.814
  332    HD2  TYR  48           HD1      TYR  48  -3.211  -0.664  -0.664
  333    HE1  TYR  48           HE2      TYR  48  -5.597   2.711   2.711
  334    HE2  TYR  48           HE1      TYR  48  -2.828  -0.573  -0.573
  335    HH   TYR  48           HH       TYR  48  -3.870   0.222   0.222
  336    H    TYR  49           HN       TYR  49  -5.605   2.378   2.378
  337    HA   TYR  49           HA       TYR  49  -7.099   1.731   1.731
  338   1HB   TYR  49          2HB       TYR  49  -4.198   2.522   2.522
  339   2HB   TYR  49          3HB       TYR  49  -5.197   2.708   2.708
  340    HD1  TYR  49           HD1      TYR  49  -7.715   3.886   3.886
  341    HD2  TYR  49           HD2      TYR  49  -3.629   4.661   4.661
  342    HE1  TYR  49           HE1      TYR  49  -8.452   5.815   5.815
  343    HE2  TYR  49           HE2      TYR  49  -4.382   6.632   6.632
  344    HH   TYR  49           HH       TYR  49  -7.650   6.710   6.710
  345    H    SER  50           HN       SER  50  -7.384  -0.208  -0.208
  346    HA   SER  50           HA       SER  50  -5.685  -2.413  -2.413
  347   1HB   SER  50          2HB       SER  50  -7.548  -3.547  -3.547
  348   2HB   SER  50          3HB       SER  50  -7.927  -2.921  -2.921
  349    HG   SER  50           HG       SER  50  -8.215  -1.268  -1.268
  350    H    SER  51           HN       SER  51  -6.128  -0.533  -0.533
  351    HA   SER  51           HA       SER  51  -4.053  -2.264  -2.264
  352   1HB   SER  51          2HB       SER  51  -5.287  -2.205  -2.205
  353   2HB   SER  51          3HB       SER  51  -6.345  -2.841  -2.841
  354    HG   SER  51           HG       SER  51  -7.177  -0.644  -0.644
  355    H    TYR  52           HN       TYR  52  -3.058  -1.124  -1.124
  356    HA   TYR  52           HA       TYR  52  -1.900   1.192   1.192
  357   1HB   TYR  52          2HB       TYR  52  -1.023  -0.309  -0.309
  358   2HB   TYR  52          3HB       TYR  52  -2.194   0.392   0.392
  359    HD1  TYR  52           HD2      TYR  52   0.907   1.004   1.004
  360    HD2  TYR  52           HD1      TYR  52  -1.885   2.698   2.698
  361    HE1  TYR  52           HE2      TYR  52   2.348   2.986   2.986
  362    HE2  TYR  52           HE1      TYR  52  -0.305   4.560   4.560
  363    HH   TYR  52           HH       TYR  52   1.805   5.410   5.410
  364    H    ARG  53           HN       ARG  53  -4.564   1.099   1.099
  365    HA   ARG  53           HA       ARG  53  -4.652   3.906   3.906
  366   1HB   ARG  53          2HB       ARG  53  -6.021   2.253   2.253
  367   2HB   ARG  53          3HB       ARG  53  -7.096   2.141   2.141
  368   1HG   ARG  53          2HG       ARG  53  -7.434   4.630   4.630
  369   2HG   ARG  53          3HG       ARG  53  -6.396   4.715   4.715
  370   1HD   ARG  53          2HD       ARG  53  -8.886   3.018   3.018
  371   2HD   ARG  53          3HD       ARG  53  -8.917   4.720   4.720
  372    HE   ARG  53           HE       ARG  53  -7.750   4.346   4.346
  373   1HH1  ARG  53          2HH2      ARG  53  -8.942   1.335   1.335
  374   2HH1  ARG  53          1HH2      ARG  53  -8.812   0.429   0.429
  375   1HH2  ARG  53          2HH1      ARG  53  -7.509   3.072   3.072
  376   2HH2  ARG  53          1HH1      ARG  53  -8.432   1.584   1.584
  377    H    ASP  54           HN       ASP  54  -5.926   1.958   1.958
  378    HA   ASP  54           HA       ASP  54  -7.595   3.992   3.992
  379   1HB   ASP  54          2HB       ASP  54  -6.089   1.788   1.788
  380   2HB   ASP  54          3HB       ASP  54  -7.377   2.779   2.779
  381    H    CYS  55           HN       CYS  55  -4.316   3.102   3.102
  382    HA   CYS  55           HA       CYS  55  -4.140   5.418   5.418
  383   1HB   CYS  55          2HB       CYS  55  -2.687   3.586   3.586
  384   2HB   CYS  55          3HB       CYS  55  -1.972   3.756   3.756
  385    H    PHE  56           HN       PHE  56  -3.187   4.849   4.849
  386    HA   PHE  56           HA       PHE  56  -1.752   7.241   7.241
  387   1HB   PHE  56          2HB       PHE  56  -1.950   5.146   5.146
  388   2HB   PHE  56          3HB       PHE  56  -3.419   5.881   5.881
  389    HD1  PHE  56          1HD       PHE  56   0.005   7.211   7.211
  390    HD2  PHE  56          2HD       PHE  56  -2.763   6.244   6.244
  391    HE1  PHE  56          1HE       PHE  56   1.521   8.247   8.247
  392    HE2  PHE  56          2HE       PHE  56  -1.151   7.188   7.188
  393    HZ   PHE  56           HZ       PHE  56   0.915   8.296   8.296
  394    H    ASN  57           HN       ASN  57  -5.297   6.593   6.593
  395    HA   ASN  57           HA       ASN  57  -5.602   9.377   9.377
  396   1HB   ASN  57          2HB       ASN  57  -7.762   8.865   8.865
  397   2HB   ASN  57          3HB       ASN  57  -7.011   7.282   7.282
  398   1HD2  ASN  57          2HD2      ASN  57  -9.012   5.672   5.672
  399   2HD2  ASN  57          1HD2      ASN  57  -7.568   5.594   5.594
  400    H    ALA  58           HN       ALA  58  -6.105   7.473   7.473
  401    HA   ALA  58           HA       ALA  58  -7.685   9.489   9.489
  402   1HB   ALA  58          2HB       ALA  58  -7.708   7.120   7.120
  403   2HB   ALA  58          3HB       ALA  58  -6.001   7.245   7.245
  404   3HB   ALA  58          1HB       ALA  58  -7.248   8.190   8.190
  405    H    CYS  59           HN       CYS  59  -4.248   9.094   9.094
  406    HA   CYS  59           HA       CYS  59  -3.609  11.147  11.147
  407   1HB   CYS  59          2HB       CYS  59  -3.079   8.814   8.814
  408   2HB   CYS  59          3HB       CYS  59  -1.946   8.756   8.756
  409    H    ILE  60           HN       ILE  60  -2.806  10.158  10.158
  410    HA   ILE  60           HA       ILE  60  -0.406  11.964  11.964
  411    HB   ILE  60           HB       ILE  60  -0.994   9.696   9.696
  412   1HG1  ILE  60          2HG1      ILE  60  -0.745   8.806   8.806
  413   2HG1  ILE  60          3HG1      ILE  60   0.647   8.387   8.387
  414   1HG2  ILE  60          3HG2      ILE  60   1.574  11.262  11.262
  415   2HG2  ILE  60          1HG2      ILE  60   1.446   9.720   9.720
  416   3HG2  ILE  60          2HG2      ILE  60   0.634  11.107  11.107
  417   1HD1  ILE  60          2HD1      ILE  60   1.976  10.191  10.191
  418   2HD1  ILE  60          3HD1      ILE  60   0.581  10.537  10.537
  419   3HD1  ILE  60          1HD1      ILE  60   1.374   8.955   8.955

  Start of MODEL   20
    1    H    TYR   1           HN       TYR   1  -3.148  14.218  14.218
    2    HA   TYR   1           HA       TYR   1  -4.952  13.377  13.377
    3   1HB   TYR   1          2HB       TYR   1  -2.690  13.900  13.900
    4   2HB   TYR   1          3HB       TYR   1  -2.140  12.288  12.288
    5    HD1  TYR   1           HD1      TYR   1  -4.718  14.068  14.068
    6    HD2  TYR   1           HD2      TYR   1  -2.189  10.613  10.613
    7    HE1  TYR   1           HE1      TYR   1  -5.397  13.284  13.284
    8    HE2  TYR   1           HE2      TYR   1  -2.765   9.901   9.901
    9    HH   TYR   1           HH       TYR   1  -5.373  10.895  10.895
   10    H    ASN   2           HN       ASN   2  -5.960  11.395  11.395
   11    HA   ASN   2           HA       ASN   2  -6.057   9.118   9.118
   12   1HB   ASN   2          2HB       ASN   2  -7.919   9.790   9.790
   13   2HB   ASN   2          3HB       ASN   2  -6.927   9.385   9.385
   14   1HD2  ASN   2          2HD2      ASN   2  -8.876   6.357   6.357
   15   2HD2  ASN   2          1HD2      ASN   2  -8.905   7.961   7.961
   16    H    ARG   3           HN       ARG   3  -4.224   7.757   7.757
   17    HA   ARG   3           HA       ARG   3  -2.123   8.027   8.027
   18   1HB   ARG   3          2HB       ARG   3  -1.693   7.890   7.890
   19   2HB   ARG   3          3HB       ARG   3  -2.368   6.263   6.263
   20   1HG   ARG   3          2HG       ARG   3  -0.404   6.022   6.022
   21   2HG   ARG   3          3HG       ARG   3   0.306   7.230   7.230
   22   1HD   ARG   3          2HD       ARG   3   0.996   5.039   5.039
   23   2HD   ARG   3          3HD       ARG   3  -0.116   5.642   5.642
   24    HE   ARG   3           HE       ARG   3  -0.626   3.616   3.616
   25   1HH1  ARG   3          2HH2      ARG   3  -1.937   5.110   5.110
   26   2HH1  ARG   3          1HH2      ARG   3  -3.187   3.909   3.909
   27   1HH2  ARG   3          2HH1      ARG   3  -2.244   2.046   2.046
   28   2HH2  ARG   3          1HH1      ARG   3  -3.200   2.045   2.045
   29    H    LEU   4           HN       LEU   4  -3.617   7.215   7.215
   30    HA   LEU   4           HA       LEU   4  -3.548   4.244   4.244
   31   1HB   LEU   4          2HB       LEU   4  -5.066   6.172   6.172
   32   2HB   LEU   4          3HB       LEU   4  -4.956   4.417   4.417
   33    HG   LEU   4           HG       LEU   4  -6.257   5.973   5.973
   34   1HD1  LEU   4          3HD1      LEU   4  -7.191   3.832   3.832
   35   2HD1  LEU   4          1HD1      LEU   4  -8.214   4.535   4.535
   36   3HD1  LEU   4          2HD1      LEU   4  -7.606   5.554   5.554
   37   1HD2  LEU   4          3HD2      LEU   4  -5.622   2.993   2.993
   38   2HD2  LEU   4          1HD2      LEU   4  -5.200   4.175   4.175
   39   3HD2  LEU   4          2HD2      LEU   4  -6.875   3.717   3.717
   40    H    CYS   5           HN       CYS   5  -3.107   6.817   6.817
   41    HA   CYS   5           HA       CYS   5  -1.276   5.458   5.458
   42   1HB   CYS   5          2HB       CYS   5  -2.321   7.583   7.583
   43   2HB   CYS   5          3HB       CYS   5  -1.448   8.440   8.440
   44    H    ILE   6           HN       ILE   6  -0.658   7.034   7.034
   45    HA   ILE   6           HA       ILE   6   2.106   7.583   7.583
   46    HB   ILE   6           HB       ILE   6   0.640   7.722   7.722
   47   1HG1  ILE   6          2HG1      ILE   6  -0.802   8.901   8.901
   48   2HG1  ILE   6          3HG1      ILE   6   0.043   9.991   9.991
   49   1HG2  ILE   6          1HG2      ILE   6   3.088   9.082   9.082
   50   2HG2  ILE   6          2HG2      ILE   6   2.257   9.642   9.642
   51   3HG2  ILE   6          3HG2      ILE   6   2.974   8.025   8.025
   52   1HD1  ILE   6          3HD1      ILE   6   1.617  10.607  10.607
   53   2HD1  ILE   6          1HD1      ILE   6   0.787   9.479   9.479
   54   3HD1  ILE   6          2HD1      ILE   6  -0.080  10.883  10.883
   55    H    LYS   7           HN       LYS   7   3.395   5.840   5.840
   56    HA   LYS   7           HA       LYS   7   3.315   3.716   3.716
   57   1HB   LYS   7          2HB       LYS   7   4.260   3.475   3.475
   58   2HB   LYS   7          3HB       LYS   7   5.681   4.352   4.352
   59   1HG   LYS   7          2HG       LYS   7   5.952   2.519   2.519
   60   2HG   LYS   7          3HG       LYS   7   4.663   1.646   1.646
   61   1HD   LYS   7          2HD       LYS   7   5.921   1.630   1.630
   62   2HD   LYS   7          3HD       LYS   7   7.153   2.723   2.723
   63   1HE   LYS   7          2HE       LYS   7   6.663  -0.086  -0.086
   64   2HE   LYS   7          3HE       LYS   7   7.903   0.380   0.380
   65   1HZ   LYS   7          1HZ       LYS   7   8.748   1.934   1.934
   66   2HZ   LYS   7          2HZ       LYS   7   7.839   1.073   1.073
   67   3HZ   LYS   7          3HZ       LYS   7   9.006   0.331   0.331
   68    HA   PRO   8           HA       PRO   8   7.097   5.391   5.391
   69   1HB   PRO   8          2HB       PRO   8   7.528   8.094   8.094
   70   2HB   PRO   8          3HB       PRO   8   8.149   6.967   6.967
   71   1HG   PRO   8          2HG       PRO   8   5.756   8.781   8.781
   72   2HG   PRO   8          3HG       PRO   8   6.936   8.408   8.408
   73   1HD   PRO   8          2HD       PRO   8   4.420   7.184   7.184
   74   2HD   PRO   8          3HD       PRO   8   5.728   6.313   6.313
   75    H    ARG   9           HN       ARG   9   5.531   4.635   4.635
   76    HA   ARG   9           HA       ARG   9   5.384   6.594   6.594
   77   1HB   ARG   9          2HB       ARG   9   3.103   6.136   6.136
   78   2HB   ARG   9          3HB       ARG   9   2.788   5.141   5.141
   79   1HG   ARG   9          2HG       ARG   9   3.521   8.084   8.084
   80   2HG   ARG   9          3HG       ARG   9   1.862   7.473   7.473
   81   1HD   ARG   9          2HD       ARG   9   2.106   7.849   7.849
   82   2HD   ARG   9          3HD       ARG   9   2.355   6.120   6.120
   83    HE   ARG   9           HE       ARG   9   4.527   6.305   6.305
   84   1HH1  ARG   9          2HH2      ARG   9   3.450   9.503   9.503
   85   2HH1  ARG   9          1HH2      ARG   9   4.613  10.388  10.388
   86   1HH2  ARG   9          2HH1      ARG   9   6.038   7.427   7.427
   87   2HH2  ARG   9          1HH1      ARG   9   6.092   9.181   9.181
   88    H    ASP  10           HN       ASP  10   6.000   3.475   3.475
   89    HA   ASP  10           HA       ASP  10   6.107   2.045   2.045
   90   1HB   ASP  10          2HB       ASP  10   3.692   2.488   2.488
   91   2HB   ASP  10          3HB       ASP  10   3.423   1.963   1.963
   92    H    TRP  11           HN       TRP  11   4.333   0.671   0.671
   93    HA   TRP  11           HA       TRP  11   5.169  -1.389  -1.389
   94   1HB   TRP  11          2HB       TRP  11   3.503   0.342   0.342
   95   2HB   TRP  11          3HB       TRP  11   4.634   0.978   0.978
   96    HD1  TRP  11           HD1      TRP  11   5.493  -1.961  -1.961
   97    HE1  TRP  11           HE1      TRP  11   3.715  -3.058  -3.058
   98    HE3  TRP  11           HE3      TRP  11   1.368   0.277   0.277
   99    HZ2  TRP  11           HZ2      TRP  11   0.858  -2.521  -2.521
  100    HZ3  TRP  11           HZ3      TRP  11  -0.933  -0.769  -0.769
  101    HH2  TRP  11           HH2      TRP  11  -1.129  -1.743  -1.743
  102    H    ILE  12           HN       ILE  12   7.350  -2.183  -2.183
  103    HA   ILE  12           HA       ILE  12   9.409  -0.468  -0.468
  104    HB   ILE  12           HB       ILE  12   9.926  -0.908  -0.908
  105   1HG1  ILE  12          2HG1      ILE  12  10.561  -3.305  -3.305
  106   2HG1  ILE  12          3HG1      ILE  12  10.459  -3.606  -3.606
  107   1HG2  ILE  12          3HG2      ILE  12   7.705  -1.547  -1.547
  108   2HG2  ILE  12          1HG2      ILE  12   8.088  -3.254  -3.254
  109   3HG2  ILE  12          2HG2      ILE  12   8.947  -2.403  -2.403
  110   1HD1  ILE  12          1HD1      ILE  12  12.170  -1.701  -1.701
  111   2HD1  ILE  12          2HD1      ILE  12  12.240  -1.522  -1.522
  112   3HD1  ILE  12          3HD1      ILE  12  12.813  -3.017  -3.017
  113    H    ASP  13           HN       ASP  13   7.645  -2.192  -2.192
  114    HA   ASP  13           HA       ASP  13   7.733  -3.891  -3.891
  115   1HB   ASP  13          2HB       ASP  13   8.741  -3.180  -3.180
  116   2HB   ASP  13          3HB       ASP  13   8.027  -1.831  -1.831
  117    H    GLU  14           HN       GLU  14   9.133  -4.922  -4.922
  118    HA   GLU  14           HA       GLU  14  11.161  -6.684  -6.684
  119   1HB   GLU  14          2HB       GLU  14   9.454  -6.821  -6.821
  120   2HB   GLU  14          3HB       GLU  14  10.707  -7.978  -7.978
  121   1HG   GLU  14          2HG       GLU  14  11.634  -5.133  -5.133
  122   2HG   GLU  14          3HG       GLU  14  11.090  -5.719  -5.719
  123    H    CYS  15           HN       CYS  15   8.192  -6.337  -6.337
  124    HA   CYS  15           HA       CYS  15   7.143  -9.110  -9.110
  125   1HB   CYS  15          2HB       CYS  15   5.075  -7.521  -7.521
  126   2HB   CYS  15          3HB       CYS  15   5.297  -8.178  -8.178
  127    H    ASP  16           HN       ASP  16   7.478 -10.371 -10.371
  128    HA   ASP  16           HA       ASP  16   7.775  -9.439  -9.439
  129   1HB   ASP  16          2HB       ASP  16   7.840 -12.157 -12.157
  130   2HB   ASP  16          3HB       ASP  16   7.711 -12.009 -12.009
  131    H    SER  17           HN       SER  17   6.511 -10.779 -10.779
  132    HA   SER  17           HA       SER  17   3.953  -9.755  -9.755
  133   1HB   SER  17          2HB       SER  17   4.667 -12.017 -12.017
  134   2HB   SER  17          3HB       SER  17   3.716 -10.611 -10.611
  135    HG   SER  17           HG       SER  17   6.131 -10.717 -10.717
  136    H    ASN  18           HN       ASN  18   2.272 -10.396 -10.396
  137    HA   ASN  18           HA       ASN  18   0.553 -11.612 -11.612
  138   1HB   ASN  18          2HB       ASN  18   0.562 -12.661 -12.661
  139   2HB   ASN  18          3HB       ASN  18   1.546 -13.981 -13.981
  140   1HD2  ASN  18          2HD2      ASN  18  -1.262 -15.706 -15.706
  141   2HD2  ASN  18          1HD2      ASN  18   0.472 -15.693 -15.693
  142    H    GLU  19           HN       GLU  19   3.589 -11.807 -11.807
  143    HA   GLU  19           HA       GLU  19   3.534 -14.222 -14.222
  144   1HB   GLU  19          2HB       GLU  19   5.547 -12.948 -12.948
  145   2HB   GLU  19          3HB       GLU  19   5.709 -12.165 -12.165
  146   1HG   GLU  19          2HG       GLU  19   7.204 -14.090 -14.090
  147   2HG   GLU  19          3HG       GLU  19   5.870 -14.517 -14.517
  148    H    GLY  20           HN       GLY  20   2.396 -13.993 -13.993
  149   1HA   GLY  20          1HA       GLY  20   1.678 -13.141 -13.141
  150   2HA   GLY  20          2HA       GLY  20   2.729 -11.737 -11.737
  151    H    GLY  21           HN       GLY  21   1.993 -10.198 -10.198
  152   1HA   GLY  21          1HA       GLY  21  -0.821  -9.475  -9.475
  153   2HA   GLY  21          2HA       GLY  21   0.447  -8.468  -8.468
  154    H    GLU  22           HN       GLU  22  -1.465  -7.998  -7.998
  155    HA   GLU  22           HA       GLU  22  -1.706  -9.698  -9.698
  156   1HB   GLU  22          2HB       GLU  22  -3.706  -8.891  -8.891
  157   2HB   GLU  22          3HB       GLU  22  -3.968  -7.867  -7.867
  158   1HG   GLU  22          2HG       GLU  22  -3.682 -10.902 -10.902
  159   2HG   GLU  22          3HG       GLU  22  -5.258 -10.082 -10.082
  160    H    ARG  23           HN       ARG  23  -2.973  -7.901  -7.901
  161    HA   ARG  23           HA       ARG  23  -0.706  -6.117  -6.117
  162   1HB   ARG  23          2HB       ARG  23  -2.523  -7.533  -7.533
  163   2HB   ARG  23          3HB       ARG  23  -2.751  -5.815  -5.815
  164   1HG   ARG  23          2HG       ARG  23  -0.322  -5.556  -5.556
  165   2HG   ARG  23          3HG       ARG  23  -0.055  -7.149  -7.149
  166   1HD   ARG  23          2HD       ARG  23   0.142  -7.229  -7.229
  167   2HD   ARG  23          3HD       ARG  23  -1.276  -8.153  -8.153
  168    HE   ARG  23           HE       ARG  23  -1.870  -5.384  -5.384
  169   1HH1  ARG  23          2HH2      ARG  23  -1.258  -8.653  -8.653
  170   2HH1  ARG  23          1HH2      ARG  23  -2.154  -8.254  -8.254
  171   1HH2  ARG  23          2HH1      ARG  23  -2.787  -4.937  -4.937
  172   2HH2  ARG  23          1HH1      ARG  23  -3.086  -6.314  -6.314
  173    H    ALA  24           HN       ALA  24  -0.840  -3.902  -3.902
  174    HA   ALA  24           HA       ALA  24  -3.362  -2.456  -2.456
  175   1HB   ALA  24          1HB       ALA  24  -0.944  -2.113  -2.113
  176   2HB   ALA  24          2HB       ALA  24  -2.294  -0.973  -0.973
  177   3HB   ALA  24          3HB       ALA  24  -2.577  -2.617  -2.617
  178    H    TYR  25           HN       TYR  25  -2.673   0.057   0.057
  179    HA   TYR  25           HA       TYR  25  -0.374   0.294   0.294
  180   1HB   TYR  25          2HB       TYR  25  -3.204   1.201   1.201
  181   2HB   TYR  25          3HB       TYR  25  -1.810   1.876   1.876
  182    HD1  TYR  25           HD1      TYR  25  -3.567  -1.399  -1.399
  183    HD2  TYR  25           HD2      TYR  25  -0.782   0.821   0.821
  184    HE1  TYR  25           HE1      TYR  25  -3.356  -3.323  -3.323
  185    HE2  TYR  25           HE2      TYR  25  -0.656  -1.079  -1.079
  186    HH   TYR  25           HH       TYR  25  -1.536  -3.094  -3.094
  187    H    PHE  26           HN       PHE  26   0.966   1.792   1.792
  188    HA   PHE  26           HA       PHE  26   0.309   3.983   3.983
  189   1HB   PHE  26          2HB       PHE  26   2.484   1.854   1.854
  190   2HB   PHE  26          3HB       PHE  26   2.676   3.397   3.397
  191    HD1  PHE  26          1HD       PHE  26   0.045   0.653   0.653
  192    HD2  PHE  26          2HD       PHE  26   1.984   3.823   3.823
  193    HE1  PHE  26          1HE       PHE  26  -0.984  -0.117  -0.117
  194    HE2  PHE  26          2HE       PHE  26   0.937   3.057   3.057
  195    HZ   PHE  26           HZ       PHE  26  -0.541   1.084   1.084
  196    H    ARG  27           HN       ARG  27   2.788   5.159   5.159
  197    HA   ARG  27           HA       ARG  27   3.563   5.644   5.644
  198   1HB   ARG  27          2HB       ARG  27   1.484   6.946   6.946
  199   2HB   ARG  27          3HB       ARG  27   2.417   7.771   7.771
  200   1HG   ARG  27          2HG       ARG  27   3.455   7.786   7.786
  201   2HG   ARG  27          3HG       ARG  27   2.044   8.777   8.777
  202   1HD   ARG  27          2HD       ARG  27   4.701   9.047   9.047
  203   2HD   ARG  27          3HD       ARG  27   4.268   9.983   9.983
  204    HE   ARG  27           HE       ARG  27   3.143  10.172  10.172
  205   1HH1  ARG  27          2HH2      ARG  27   3.237  11.726  11.726
  206   2HH1  ARG  27          1HH2      ARG  27   1.576  12.264  12.264
  207   1HH2  ARG  27          2HH1      ARG  27   1.542  11.813  11.813
  208   2HH2  ARG  27          1HH1      ARG  27   0.956  12.808  12.808
  209    H    ASN  28           HN       ASN  28   5.382   5.027   5.027
  210    HA   ASN  28           HA       ASN  28   7.264   5.875   5.875
  211   1HB   ASN  28          2HB       ASN  28   8.919   5.109   5.109
  212   2HB   ASN  28          3HB       ASN  28   7.680   3.900   3.900
  213   1HD2  ASN  28          2HD2      ASN  28   6.336   3.834   3.834
  214   2HD2  ASN  28          1HD2      ASN  28   6.403   3.126   3.126
  215    H    GLY  29           HN       GLY  29   8.908   7.472   7.472
  216   1HA   GLY  29          1HA       GLY  29   7.764   9.952   9.952
  217   2HA   GLY  29          2HA       GLY  29   9.371   9.712   9.712
  218    H    LYS  30           HN       LYS  30   8.484   8.038   8.038
  219    HA   LYS  30           HA       LYS  30  10.671   9.482   9.482
  220   1HB   LYS  30          2HB       LYS  30   8.880   7.242   7.242
  221   2HB   LYS  30          3HB       LYS  30  10.366   7.774   7.774
  222   1HG   LYS  30          2HG       LYS  30  10.267   6.640   6.640
  223   2HG   LYS  30          3HG       LYS  30  10.373   5.598   5.598
  224   1HD   LYS  30          2HD       LYS  30  12.404   7.825   7.825
  225   2HD   LYS  30          3HD       LYS  30  12.501   6.487   6.487
  226   1HE   LYS  30          2HE       LYS  30  13.890   6.076   6.076
  227   2HE   LYS  30          3HE       LYS  30  12.669   4.824   4.824
  228   1HZ   LYS  30          3HZ       LYS  30  12.377   7.108   7.108
  229   2HZ   LYS  30          1HZ       LYS  30  12.997   5.677   5.677
  230   3HZ   LYS  30          2HZ       LYS  30  11.438   5.743   5.743
  231    H    GLY  31           HN       GLY  31   7.274   8.539   8.539
  232   1HA   GLY  31          1HA       GLY  31   5.768  10.620  10.620
  233   2HA   GLY  31          2HA       GLY  31   6.759  10.958  10.958
  234    H    GLY  32           HN       GLY  32   5.458   7.884   7.884
  235   1HA   GLY  32          1HA       GLY  32   3.366   7.607   7.607
  236   2HA   GLY  32          2HA       GLY  32   4.779   6.617   6.617
  237    H    CYS  33           HN       CYS  33   2.083   5.763   5.763
  238    HA   CYS  33           HA       CYS  33   2.760   4.709   4.709
  239   1HB   CYS  33          2HB       CYS  33   0.346   4.156   4.156
  240   2HB   CYS  33          3HB       CYS  33   0.560   3.505   3.505
  241    H    ASP  34           HN       ASP  34   3.385   2.523   2.523
  242    HA   ASP  34           HA       ASP  34   3.516   0.815   0.815
  243   1HB   ASP  34          2HB       ASP  34   5.745   1.893   1.893
  244   2HB   ASP  34          3HB       ASP  34   6.034   1.258   1.258
  245    H    SER  35           HN       SER  35   1.831  -0.049  -0.049
  246    HA   SER  35           HA       SER  35   0.539  -0.961  -0.961
  247   1HB   SER  35          2HB       SER  35   0.890  -3.375  -3.375
  248   2HB   SER  35          3HB       SER  35   1.025  -2.643  -2.643
  249    HG   SER  35           HG       SER  35   3.362  -3.161  -3.161
  250    H    PHE  36           HN       PHE  36   1.808  -3.158  -3.158
  251    HA   PHE  36           HA       PHE  36   3.480  -2.621  -2.621
  252   1HB   PHE  36          2HB       PHE  36   1.479  -0.707  -0.707
  253   2HB   PHE  36          3HB       PHE  36   1.310  -1.997  -1.997
  254    HD1  PHE  36          1HD       PHE  36   3.941   0.238   0.238
  255    HD2  PHE  36          2HD       PHE  36   2.868  -2.528  -2.528
  256    HE1  PHE  36          1HE       PHE  36   6.308   0.022   0.022
  257    HE2  PHE  36          2HE       PHE  36   5.267  -2.989  -2.989
  258    HZ   PHE  36           HZ       PHE  36   6.962  -1.737  -1.737
  259    H    TRP  37           HN       TRP  37   3.508  -3.978  -3.978
  260    HA   TRP  37           HA       TRP  37   1.645  -6.270  -6.270
  261   1HB   TRP  37          2HB       TRP  37   4.700  -6.151  -6.151
  262   2HB   TRP  37          3HB       TRP  37   3.734  -7.597  -7.597
  263    HD1  TRP  37           HD1      TRP  37   5.486  -5.750  -5.750
  264    HE1  TRP  37           HE1      TRP  37   4.809  -6.550  -6.550
  265    HE3  TRP  37           HE3      TRP  37   1.360  -8.463  -8.463
  266    HZ2  TRP  37           HZ2      TRP  37   2.817  -8.325  -8.325
  267    HZ3  TRP  37           HZ3      TRP  37   0.281  -9.905  -9.905
  268    HH2  TRP  37           HH2      TRP  37   0.981  -9.866  -9.866
  269    H    ILE  38           HN       ILE  38   0.858  -6.375  -6.375
  270    HA   ILE  38           HA       ILE  38   2.051  -4.500  -4.500
  271    HB   ILE  38           HB       ILE  38  -0.228  -6.435  -6.435
  272   1HG1  ILE  38          2HG1      ILE  38  -0.411  -3.898  -3.898
  273   2HG1  ILE  38          3HG1      ILE  38  -0.944  -5.456  -5.456
  274   1HG2  ILE  38          1HG2      ILE  38   0.572  -3.703  -3.703
  275   2HG2  ILE  38          2HG2      ILE  38  -0.908  -4.556  -4.556
  276   3HG2  ILE  38          3HG2      ILE  38   0.627  -5.265  -5.265
  277   1HD1  ILE  38          2HD1      ILE  38  -2.584  -5.288  -5.288
  278   2HD1  ILE  38          3HD1      ILE  38  -2.127  -3.573  -3.573
  279   3HD1  ILE  38          1HD1      ILE  38  -2.790  -4.151  -4.151
  280    H    CYS  39           HN       CYS  39   2.676  -5.195  -5.195
  281    HA   CYS  39           HA       CYS  39   4.042  -7.836  -7.836
  282   1HB   CYS  39          2HB       CYS  39   4.519  -5.268  -5.268
  283   2HB   CYS  39          3HB       CYS  39   5.095  -6.755  -6.755
  284    HA   PRO  40           HA       PRO  40   1.030  -9.652  -9.652
  285   1HB   PRO  40          2HB       PRO  40   2.354 -11.326 -11.326
  286   2HB   PRO  40          3HB       PRO  40   2.176 -11.623 -11.623
  287   1HG   PRO  40          2HG       PRO  40   4.523 -10.424 -10.424
  288   2HG   PRO  40          3HG       PRO  40   4.549 -11.641 -11.641
  289   1HD   PRO  40          2HD       PRO  40   5.048  -9.020  -9.020
  290   2HD   PRO  40          3HD       PRO  40   4.136  -9.974  -9.974
  291    H    GLU  41           HN       GLU  41   3.515  -8.046  -8.046
  292    HA   GLU  41           HA       GLU  41   2.275  -7.984  -7.984
  293   1HB   GLU  41          2HB       GLU  41   4.584  -7.249  -7.249
  294   2HB   GLU  41          3HB       GLU  41   3.912  -5.894  -5.894
  295   1HG   GLU  41          2HG       GLU  41   4.529  -4.935  -4.935
  296   2HG   GLU  41          3HG       GLU  41   2.804  -5.212  -5.212
  297    H    ASP  42           HN       ASP  42   2.094  -5.468  -5.468
  298    HA   ASP  42           HA       ASP  42  -0.246  -4.231  -4.231
  299   1HB   ASP  42          2HB       ASP  42   2.052  -3.116  -3.116
  300   2HB   ASP  42          3HB       ASP  42   0.574  -2.206  -2.206
  301    H    HIS  43           HN       HIS  43  -1.826  -5.584  -5.584
  302    HA   HIS  43           HA       HIS  43  -2.025  -5.613  -5.613
  303   1HB   HIS  43          2HB       HIS  43  -3.974  -6.188  -6.188
  304   2HB   HIS  43          3HB       HIS  43  -4.430  -6.228  -6.228
  305    HD1  HIS  43           HD1      HIS  43  -4.984  -8.857  -8.857
  306    HD2  HIS  43           HD2      HIS  43  -0.945  -7.648  -7.648
  307    HE1  HIS  43           HE1      HIS  43  -3.570 -10.976 -10.976
  308    H    THR  44           HN       THR  44  -3.562  -3.679  -3.679
  309    HA   THR  44           HA       THR  44  -4.979  -1.935  -1.935
  310    HB   THR  44           HB       THR  44  -3.212  -0.562  -0.562
  311    HG1  THR  44          1HG       THR  44  -4.954   0.124   0.124
  312   1HG2  THR  44          2HG2      THR  44  -2.363  -1.368  -1.368
  313   2HG2  THR  44          3HG2      THR  44  -1.596  -0.106  -0.106
  314   3HG2  THR  44          1HG2      THR  44  -1.576  -1.766  -1.766
  315    H    GLY  45           HN       GLY  45  -6.135  -3.858  -3.858
  316   1HA   GLY  45          1HA       GLY  45  -7.954  -4.438  -4.438
  317   2HA   GLY  45          2HA       GLY  45  -8.078  -2.757  -2.757
  318    H    ALA  46           HN       ALA  46  -5.066  -3.470  -3.470
  319    HA   ALA  46           HA       ALA  46  -4.435  -3.152  -3.152
  320   1HB   ALA  46          3HB       ALA  46  -4.624  -5.598  -5.598
  321   2HB   ALA  46          1HB       ALA  46  -6.241  -5.369  -5.369
  322   3HB   ALA  46          2HB       ALA  46  -4.832  -4.690  -4.690
  323    H    ASP  47           HN       ASP  47  -6.031  -1.331  -1.331
  324    HA   ASP  47           HA       ASP  47  -8.608  -1.155  -1.155
  325   1HB   ASP  47          2HB       ASP  47  -8.209  -0.714  -0.714
  326   2HB   ASP  47          3HB       ASP  47  -7.170   0.652   0.652
  327    H    TYR  48           HN       TYR  48  -6.539  -1.039  -1.039
  328    HA   TYR  48           HA       TYR  48  -5.952   1.855   1.855
  329   1HB   TYR  48          2HB       TYR  48  -4.498  -0.657  -0.657
  330   2HB   TYR  48          3HB       TYR  48  -3.973   0.984   0.984
  331    HD1  TYR  48           HD2      TYR  48  -3.211   2.474   2.474
  332    HD2  TYR  48           HD1      TYR  48  -4.025  -1.682  -1.682
  333    HE1  TYR  48           HE2      TYR  48  -2.443   2.619   2.619
  334    HE2  TYR  48           HE1      TYR  48  -3.558  -1.414  -1.414
  335    HH   TYR  48           HH       TYR  48  -3.438   0.232   0.232
  336    H    TYR  49           HN       TYR  49  -5.554   2.324   2.324
  337    HA   TYR  49           HA       TYR  49  -7.787   1.819   1.819
  338   1HB   TYR  49          2HB       TYR  49  -4.927   2.518   2.518
  339   2HB   TYR  49          3HB       TYR  49  -6.378   2.872   2.872
  340    HD1  TYR  49           HD1      TYR  49  -8.194   4.320   4.320
  341    HD2  TYR  49           HD2      TYR  49  -3.946   4.140   4.140
  342    HE1  TYR  49           HE1      TYR  49  -8.280   6.535   6.535
  343    HE2  TYR  49           HE2      TYR  49  -4.091   6.241   6.241
  344    HH   TYR  49           HH       TYR  49  -7.066   8.205   8.205
  345    H    SER  50           HN       SER  50  -8.246  -0.330  -0.330
  346    HA   SER  50           HA       SER  50  -6.041  -2.237  -2.237
  347   1HB   SER  50          2HB       SER  50  -7.843  -3.754  -3.754
  348   2HB   SER  50          3HB       SER  50  -7.944  -3.204  -3.204
  349    HG   SER  50           HG       SER  50  -9.458  -2.239  -2.239
  350    H    SER  51           HN       SER  51  -7.627  -0.019  -0.019
  351    HA   SER  51           HA       SER  51  -6.196  -1.355  -1.355
  352   1HB   SER  51          2HB       SER  51  -7.282   0.220   0.220
  353   2HB   SER  51          3HB       SER  51  -8.416  -0.774  -0.774
  354    HG   SER  51           HG       SER  51  -8.651   1.059   1.059
  355    H    TYR  52           HN       TYR  52  -4.581  -0.458  -0.458
  356    HA   TYR  52           HA       TYR  52  -2.839   1.607   1.607
  357   1HB   TYR  52          2HB       TYR  52  -2.164   0.125   0.125
  358   2HB   TYR  52          3HB       TYR  52  -3.542   0.620   0.620
  359    HD1  TYR  52           HD2      TYR  52  -0.350   1.895   1.895
  360    HD2  TYR  52           HD1      TYR  52  -3.570   2.729   2.729
  361    HE1  TYR  52           HE2      TYR  52   1.109   3.479   3.479
  362    HE2  TYR  52           HE1      TYR  52  -2.132   4.280   4.280
  363    HH   TYR  52           HH       TYR  52   0.004   4.959   4.959
  364    H    ARG  53           HN       ARG  53  -5.575   1.768   1.768
  365    HA   ARG  53           HA       ARG  53  -5.523   4.464   4.464
  366   1HB   ARG  53          2HB       ARG  53  -7.118   2.856   2.856
  367   2HB   ARG  53          3HB       ARG  53  -8.000   2.901   2.901
  368   1HG   ARG  53          2HG       ARG  53  -8.187   5.443   5.443
  369   2HG   ARG  53          3HG       ARG  53  -7.498   5.226   5.226
  370   1HD   ARG  53          2HD       ARG  53  -9.909   3.700   3.700
  371   2HD   ARG  53          3HD       ARG  53 -10.021   5.325   5.325
  372    HE   ARG  53           HE       ARG  53  -9.484   4.657   4.657
  373   1HH1  ARG  53          2HH2      ARG  53  -9.801   1.711   1.711
  374   2HH1  ARG  53          1HH2      ARG  53 -10.189   0.709   0.709
  375   1HH2  ARG  53          2HH1      ARG  53  -9.844   3.258   3.258
  376   2HH2  ARG  53          1HH1      ARG  53 -10.480   1.671   1.671
  377    H    ASP  54           HN       ASP  54  -7.252   3.094   3.094
  378    HA   ASP  54           HA       ASP  54  -8.031   5.686   5.686
  379   1HB   ASP  54          2HB       ASP  54  -7.994   2.976   2.976
  380   2HB   ASP  54          3HB       ASP  54  -7.969   4.381   4.381
  381    H    CYS  55           HN       CYS  55  -5.121   3.736   3.736
  382    HA   CYS  55           HA       CYS  55  -4.162   5.764   5.764
  383   1HB   CYS  55          2HB       CYS  55  -3.225   3.568   3.568
  384   2HB   CYS  55          3HB       CYS  55  -2.599   3.777   3.777
  385    H    PHE  56           HN       PHE  56  -3.769   5.322   5.322
  386    HA   PHE  56           HA       PHE  56  -1.680   7.176   7.176
  387   1HB   PHE  56          2HB       PHE  56  -2.575   5.268   5.268
  388   2HB   PHE  56          3HB       PHE  56  -3.846   6.384   6.384
  389    HD1  PHE  56          1HD       PHE  56  -0.098   6.529   6.529
  390    HD2  PHE  56          2HD       PHE  56  -3.455   7.095   7.095
  391    HE1  PHE  56          1HE       PHE  56   1.436   7.346   7.346
  392    HE2  PHE  56          2HE       PHE  56  -1.913   7.795   7.795
  393    HZ   PHE  56           HZ       PHE  56   0.531   7.949   7.949
  394    H    ASN  57           HN       ASN  57  -5.241   7.434   7.434
  395    HA   ASN  57           HA       ASN  57  -5.070  10.267  10.267
  396   1HB   ASN  57          2HB       ASN  57  -7.362   8.330   8.330
  397   2HB   ASN  57          3HB       ASN  57  -7.640  10.049  10.049
  398   1HD2  ASN  57          2HD2      ASN  57  -6.393   7.770   7.770
  399   2HD2  ASN  57          1HD2      ASN  57  -6.206   7.177   7.177
  400    H    ALA  58           HN       ALA  58  -5.669   8.383   8.383
  401    HA   ALA  58           HA       ALA  58  -6.592  10.628  10.628
  402   1HB   ALA  58          1HB       ALA  58  -7.082   8.286   8.286
  403   2HB   ALA  58          2HB       ALA  58  -5.347   8.000   8.000
  404   3HB   ALA  58          3HB       ALA  58  -6.240   9.152   9.152
  405    H    CYS  59           HN       CYS  59  -3.403   9.353   9.353
  406    HA   CYS  59           HA       CYS  59  -2.174  11.232  11.232
  407   1HB   CYS  59          2HB       CYS  59  -2.313   8.666   8.666
  408   2HB   CYS  59          3HB       CYS  59  -0.949   8.596   8.596
  409    H    ILE  60           HN       ILE  60  -2.105  10.306  10.306
  410    HA   ILE  60           HA       ILE  60   0.363  11.958  11.958
  411    HB   ILE  60           HB       ILE  60  -0.694  10.045  10.045
  412   1HG1  ILE  60          2HG1      ILE  60  -0.114   8.647   8.647
  413   2HG1  ILE  60          3HG1      ILE  60   0.887   8.382   8.382
  414   1HG2  ILE  60          3HG2      ILE  60   1.958  11.477  11.477
  415   2HG2  ILE  60          1HG2      ILE  60   1.680  10.199  10.199
  416   3HG2  ILE  60          2HG2      ILE  60   0.792  11.726  11.726
  417   1HD1  ILE  60          3HD1      ILE  60   1.706  10.049  10.049
  418   2HD1  ILE  60          1HD1      ILE  60   2.201   8.373   8.373
  419   3HD1  ILE  60          2HD1      ILE  60   2.722   9.692   9.692