*HEADER   PROTEINASE INHIBITOR(TRYPSIN)           30-APR-92   1PIT    
*COMPND   TRYPSIN INHIBITOR (NMR, 20 STRUCTURES)                      
*SOURCE   BOVINE (BOS TAURUS) PANCREAS                                
*EXPDTA   NMR                                                         
*AUTHOR   K.D.BERNDT,P.GUNTERT,L.P.M.ORBONS,K.WUTHRICH                
*REVDAT  1   31-JAN-94 1PIT    0                                      




HEADER    NMR DATA FOR 9PTI                       15-APR-92   9PTI      9PTI   3
COMPND    BOVINE PANCREATIC TRYPSIN INHIBITOR                           9PTI   4
SOURCE    BOVINE (BOS TAURUS) PANCREAS                                  9PTI   5
AUTHOR    K.BERNDT,P.GUNTERT,L.P.M.ORBONS,K.WUTHRICH                    9PTI   6
COORDS    9PTI                                                          9PTI   7
REMARK   1                                                              9PTI   8
REMARK   1 THIS FILE CONTAINS DATA THAT WAS USED IN THE DETERMINATION   9PTI   9
REMARK   1 OF THE THREE-DIMENSIONAL STRUCTURE OF THE BOVINE             9PTI  10
REMARK   1 PANCREATIC TRYPSIN INHIBITOR BY NUCLEAR MAGNETIC RESONANCE   9PTI  11
REMARK   1 SPECTROSCOPY IN SOLUTION.                
REMARK   1 THE DIFFERENT KINDS OF DATA, TOGETHER WITH THE CORRESPONDING 9PTI  13
REMARK   1 RECORD IDENTIFIERS ARE GIVEN IN THE FOLLOWING TABLE. SEE     9PTI  14
REMARK   1 REMARK 2 FOR THE DETAILS.                                    9PTI  15
REMARK   1                                                              9PTI  16
REMARK   1 RECORD CONTENT                                     UNIT      9PTI  17
REMARK   1 ------ ------------------------------------------- --------- 9PTI  18
REMARK   1 SHIFTS CHEMICAL SHIFTS OF THE ASSIGNED PROTONS     PPM       9PTI  19
REMARK   1 JCOUPL VICINAL 1H-1H SCALAR COUPLING CONSTANTS     HERTZ     9PTI  20
REMARK   1 NOEUPP UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 9PTI  21
REMARK   1        DETERMINED FROM NUCLEAR OVERHAUSER EFFECTS            9PTI  22
REMARK   1 SSUPP  UPPER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 9PTI  23
REMARK   1        FOR DISULPHIDE BRIDGES (NOT USED HERE)                9PTI  24
REMARK   1 SSLOW  LOWER LIMITS FOR INTERATOMIC DISTANCES      ANGSTROMS 9PTI  25
REMARK   1        FOR DISULPHIDE BRIDGES (NOT USED HERE)                9PTI  26
REMARK   1 ANGLE  TORSION ANGLE CONSTRAINTS IN THE FORM OF    DEGREES   9PTI  27
REMARK   1        AN ALLOWED INTERVAL                                   9PTI  28
REMARK   1                                                              9PTI  29
REMARK   1 ALL EXPERIMENTAL INPUT DATA (EXCEPT FOR THE AMINO ACID       9PTI  30
REMARK   1 SEQUENCE) FOR THE DISTANCE GEOMETRY CALCULATIONS WITH THE    9PTI  31
REMARK   1 PROGRAM DIANA AND REFINEMENT WITH AMBER IS GIVEN IN THE      9PTI  32
REMARK   1 RECORDS NOEUPP, SSUPP, SSLOW AND ANGLE.                      9PTI  33
REMARK   2                                                              9PTI  34
REMARK   2                                                              9PTI  35
REMARK   2 THE NEXT TABLE CONTAINS A DETAILED DESCRIPTION OF THE        9PTI  36
REMARK   2 CONTENTS AND FORMATS OF THE VARIOUS DATA RECORDS AND THE     9PTI  37
REMARK   2 MASTER RECORD.                                               9PTI  38
REMARK   2                                                              9PTI  39
REMARK   2 RECORD CONTENTS (FORTRAN FORMAT)                             9PTI  40
REMARK   2 ------ ----------------------------------------------------- 9PTI  41
REMARK   2 SHIFTS RESIDUE NAME, RESIDUE NUMBER, ATOM NAME, CHEMICAL     9PTI  42
REMARK   2        SHIFT(S), ATOM NAME, CHEMICAL SHIFT(S), ATOM NAME,    9PTI  43
REMARK   2        CHEMICAL SHIFT(S)                                     9PTI  44
REMARK   2        ('SHIFTS',2X,A4,I4,2X,3(A4,2F6.2,2X))                 9PTI  45
REMARK   2 JCOUPL RESIDUE NAME, RESIDUE NUMBER, FIRST AND SECOND ATOM   9PTI  46
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      9PTI  47
REMARK   2        NAME, J-COUPLING CONSTANT, FIRST AND SECOND ATOM      9PTI  48
REMARK   2        NAME, J-COUPLING CONSTANT                             9PTI  49
REMARK   2        ('JCOUPL',2X,A4,I4,2X,3(A4,1X,A4,F6.2,3X))            9PTI  50
REMARK   2 NOEUPP FIRST RESIDUE NAME, FIRST RESIDUE NUMBER, FIRST ATOM  9PTI  51
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     9PTI  52
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT, FIRST ATOM    9PTI  53
REMARK   2        NAME, SECOND RESIDUE NAME, SECOND RESIDUE NUMBER,     9PTI  54
REMARK   2        SECOND ATOM NAME, UPPER DISTANCE LIMIT                9PTI  55
REMARK   2        ('NOEUPP',2X,A4,I4,1X,2(A4,1X,A4,I4,1X,A4,F6.2,5X))   9PTI  56
REMARK   2 SSUPP  SIMILAR TO NOEUPP                                     9PTI  57
REMARK   2 SSLOW  SIMILAR TO NOEUPP                                     9PTI  58
REMARK   2 ANGLE  RESIDUE NAME, RESIDUE NUMBER, ANGLE NAME, LOWER AND   9PTI  59
REMARK   2        UPPER BOUND, ANGLE NAME, LOWER AND UPPER BOUND        9PTI  60
REMARK   2        ('ANGLE',3X,A4,I4,1X,2(A5,2F8.2,8X))                  9PTI  61
REMARK   2 MASTER NUMBER OF REMARK RECORDS, NUMBER OF FTNOTE RECORDS,   9PTI  62
REMARK   2        NUMBER OF SHIFTS RECORDS, NUMBER OF JCOUPL RECORDS,   9PTI  63
REMARK   2        NUMBER OF NOEUPP, HBUPP AND SSUPP RECORDS, NUMBER OF  9PTI  64
REMARK   2        NOELOW, HBLOW AND SSLOW RECORDS, NUMBER OF ANGLE      9PTI  65
REMARK   2        RECORDS                                               9PTI  66
REMARK   2        ('MASTER',4X,7I5)                                     9PTI  67
REMARK   3                                                              9PTI  68
REMARK   3 ATOM NAMES HAVE BEEN ASSIGNED FOLLOWING THE RECOMMENDATIONS  9PTI  69
REMARK   3 OF THE IUPAC-IUB COMMISSION AS PUBLISHED IN BIOCHEMISTRY     9PTI  70
REMARK   3 (1970) VOL. 9, 3471-3479, EXCEPT THAT BACKBONE AMIDE         9PTI  71
REMARK   3 HYDROGENS ARE DENOTED BY HN INSTEAD OF H. THE HYDROGEN ATOM  9PTI  72
REMARK   3 NUMBERS OF THOSE HYDROGEN ATOMS WHICH ARE CONNECTED TO THE   9PTI  73
REMARK   3 SAME NON-HYDROGEN ATOM ARE WRITTEN AS THE FIRST CHARACTER    9PTI  74
REMARK   3 RATHER THAN THE LAST CHARACTER OF THE ATOM NAMES.            9PTI  75
REMARK   3 THEY ARE IDENTICAL WITH THE ATOM NAMES USED IN THE           9PTI  76
REMARK   3 COORDINATE FILE 9PTI.                                        9PTI  77
REMARK   4                                                              9PTI  78
REMARK   4 PSEUDO-ATOMS DESIGNATED AS Q ARE DIMENSIONLESS REFERENCE     9PTI  79
REMARK   4 POINTS REPRESENTING A GROUP OF HYDROGEN ATOMS                9PTI  80
REMARK   4 (K.WUTHRICH, M.BILLETER AND W.BRAUN, J. MOL. BIOL. (1983)    9PTI  81
REMARK   4 VOL. 169, 949-961). THEY ARE USED TO DESCRIBE ALL METHYL     9PTI  82
REMARK   4 GROUPS, AND THOSE GROUPS OF PROCHIRAL HYDROGEN ATOMS FOR     9PTI  83
REMARK   4 WHICH NO STEREOSPECIFIC ASSIGNMENTS HAD BEEN OBTAINED.       9PTI  84
REMARK   4 FOR ALL METHYLENE GROUPS, EVEN IN CASE OF IDENTICAL SHIFTS,  9PTI  85
REMARK   4 TWO CHEMICAL SHIFTS ARE LISTED FOR THE TWO PROTONS.          9PTI  86
REMARK   4 TWO CHEMICAL SHIFTS ARE ALSO ALWAYS GIVEN FOR THE TWO        9PTI  87
REMARK   4 METHYLS IN THE ISOPROPYL GROUPS.                             9PTI  88
REMARK   5                                                              9PTI  89
REMARK   5 DETAILS OF THE NOMENCLATURE FOR THE PSEUDO-ATOMS ARE         9PTI  90
REMARK   5 AS FOLLOWS: QA REPRESENTS THE TWO METHYLENE HYDROGEN         9PTI  91
REMARK   5 ATOMS OF GLY. QB, QG, ... REPRESENT BETA, GAMMA, ...         9PTI  92
REMARK   5 METHYLENE OR METHYL GROUPS IN THE SIDE CHAINS. IN CASE OF    9PTI  93
REMARK   5 BRANCHES IN THE SIDE CHAINS THE NUMBERS OF THE PSEUDO-ATOMS  9PTI  94
REMARK   5 ARE THE SAME AS THE NUMBERS OF THE CARBONS TO WHICH THE      9PTI  95
REMARK   5 HYDROGEN  ATOMS ARE ATTACHED.                                9PTI  96
REMARK   5 QQG AND QQD DENOTE THE PSEUDO-ATOMS FOR THE 6 HYDROGEN       9PTI  97
REMARK   5 ATOMS OF THE ISOPROPYL METHYL GROUPS OF VAL AND LEU, RESPEC- 9PTI  98
REMARK   5 TIVELY. QR IS THE PSEUDO-ATOM FOR THE DELTA AND EPSILON      9PTI  99
REMARK   5 HYDROGENS OF THE AROMATIC RINGS OF TYR AND PHE. WHERE THE    9PTI 100
REMARK   5 DELTA AND EPSILON HYDROGENS OF THE AROMATIC RINGS HAVE BEEN  9PTI 101
REMARK   5 INDIVIDUALLY IDENTIFIED BUT ARE DEGENERATE IN THE ONE AND    9PTI 102
REMARK   5 TWO POSITIONS, THE CHEMICAL SHIFTS WERE LISTED UNDER CG AND  9PTI 103
REMARK   5 CZ RESPECTIVELY.                                             9PTI 104
REMARK   5                                                              9PTI 105
SHIFTS  ARG    1   HA   4.36        2HB   1.80        3HB   1.90        9PTI 106
SHIFTS  ARG    1  2HG   1.48        3HG   1.36        2HD   3.08        9PTI 107
SHIFTS  ARG    1  3HD   2.88         HE   7.05                          9PTI 108
SHIFTS  PRO    2   HA   4.32        2HB   0.91        3HB   2.02        9PTI 109
SHIFTS  PRO    2  2HG   1.61        3HG   1.87        2HD   3.60        9PTI 110
SHIFTS  PRO    2  3HD   3.74                                            9PTI 111
SHIFTS  ASP    3   HN   8.67         HA   4.26        3HB   2.77        9PTI 112
SHIFTS  ASP    3   QB   2.77                                            9PTI 113
SHIFTS  PHE    4   HN   7.82         HA   4.59        2HB   3.35        9PTI 114
SHIFTS  PHE    4  3HB   2.95         CG   7.00         CZ   7.37        9PTI 115
SHIFTS  PHE    4   HZ   7.31                                            9PTI 116
SHIFTS  CYS    5   HN   7.45         HA   4.35        2HB   2.76        9PTI 117
SHIFTS  CYS    5  3HB   2.87                                            9PTI 118
SHIFTS  LEU    6   HN   7.57         HA   4.51         QB   1.85        9PTI 119
SHIFTS  LEU    6   HG   1.69         QD1  0.95         QD2  0.86        9PTI 120
SHIFTS  GLU    7   HN   7.53         HA   4.59        2HB   2.26        9PTI 121
SHIFTS  GLU    7  3HB   2.16        2HG   2.61        3HG   2.56        9PTI 122
SHIFTS  PRO    8   HA   4.63        2HB   1.84        3HB   2.44        9PTI 123
SHIFTS  PRO    8   QG   2.12        2HD   3.71        3HD   3.98        9PTI 124
SHIFTS  PRO    9   HA   3.71        2HB   0.22        3HB   0.10        9PTI 125
SHIFTS  PRO    9  2HG   1.27        3HG   0.17        2HD   3.35        9PTI 126
SHIFTS  PRO    9  3HD   2.92                                            9PTI 127
SHIFTS  TYR   10   HN   7.80         HA   4.93        2HB   2.96        9PTI 128
SHIFTS  TYR   10  3HB   2.88         CG   7.33         CZ   7.09        9PTI 129
SHIFTS  THR   11   HN   8.96         HA   4.53         HB   4.05        9PTI 130
SHIFTS  THR   11   QG2  1.38                                            9PTI 131
SHIFTS  GLY   12   HN   7.17        1HA   3.26        2HA   3.89        9PTI 132
SHIFTS  PRO   13   HA   4.55        2HB   2.10        3HB   2.17        9PTI 133
SHIFTS  PRO   13   QG   1.98        2HD   3.60        3HD   3.64        9PTI 134
SHIFTS  CYS   14   HN   8.69         HA   4.55        2HB   2.80        9PTI 135
SHIFTS  CYS   14  3HB   3.46                                            9PTI 136
SHIFTS  LYS   15   HN   7.98         HA   4.41        2HB   1.58        9PTI 137
SHIFTS  LYS   15  3HB   2.08        2HG   1.40        3HG   1.28        9PTI 138
SHIFTS  ALA   16   HN   8.22         HA   4.30         QB   1.17        9PTI 139
SHIFTS  ARG   17   HN   8.19         HA   4.31        2HB   1.60        9PTI 140
SHIFTS  ARG   17  3HB   1.47        3HG   1.31         QG   1.30        9PTI 141
SHIFTS  ARG   17   QD   3.12         HE   7.19         QH2  7.19        9PTI 142
SHIFTS  ILE   18   HN   8.11         HA   4.20         HB   1.87        9PTI 143
SHIFTS  ILE   18   QG2  0.97        2HG1  1.37        3HG1  1.00        9PTI 144
SHIFTS  ILE   18   QD1  0.69                                            9PTI 145
SHIFTS  ILE   19   HN   8.69         HA   4.31         HB   1.95        9PTI 146
SHIFTS  ILE   19   QG2  0.72        2HG1  1.47        3HG1  1.38        9PTI 147
SHIFTS  ILE   19   QD1  0.68                                            9PTI 148
SHIFTS  ARG   20   HN   8.40         HA   4.70        2HB   0.82        9PTI 149
SHIFTS  ARG   20  3HB   1.81        2HG   1.71        3HG   1.34        9PTI 150
SHIFTS  ARG   20  2HD   3.02        3HD   3.48         HE   7.45        9PTI 151
SHIFTS  TYR   21   HN   9.19         HA   5.70        2HB   2.71        9PTI 152
SHIFTS  TYR   21  3HB   2.78         CG   6.71         CZ   6.79        9PTI 153
SHIFTS  PHE   22   HN   9.78         HA   5.28        2HB   2.82        9PTI 154
SHIFTS  PHE   22  3HB   2.91         CG   7.15         CZ   7.23        9PTI 155
SHIFTS  PHE   22   HZ   7.31                                            9PTI 156
SHIFTS  TYR   23   HN  10.56         HA   4.30        2HB   2.73        9PTI 157
SHIFTS  TYR   23  3HB   3.47         CG   7.19         CZ   6.33        9PTI 158
SHIFTS  ASN   24   HN   7.77         HA   4.60        2HB   2.17        9PTI 159
SHIFTS  ASN   24  3HB   2.87        1HD2  7.90        2HD2  7.08        9PTI 160
SHIFTS  ALA   25   HN   8.79         HA   3.77         QB   1.56        9PTI 161
SHIFTS  LYS   26   HN   7.92         HA   4.07         QB   1.87        9PTI 162
SHIFTS  LYS   26  2HG   1.72        3HG   1.54         QD   1.45        9PTI 163
SHIFTS  ALA   27   HN   6.82         HA   4.28         QB   1.19        9PTI 164
SHIFTS  GLY   28   HN   8.14        1HA   3.61        2HA   3.91        9PTI 165
SHIFTS  LEU   29   HN   6.82         HA   4.75        2HB   1.43        9PTI 166
SHIFTS  LEU   29  3HB   1.73         HG   1.39         QD1  0.76        9PTI 167
SHIFTS  LEU   29   QD2  0.86                                            9PTI 168
SHIFTS  CYS   30   HN   8.40         HA   5.62        2HB   3.67        9PTI 169
SHIFTS  CYS   30  3HB   2.67                                            9PTI 170
SHIFTS  GLN   31   HN   8.77         HA   4.83        2HB   1.73        9PTI 171
SHIFTS  GLN   31  3HB   2.17        2HG   2.23        3HG   1.90        9PTI 172
SHIFTS  GLN   31  1HE2  7.43        2HE2  6.94                          9PTI 173
SHIFTS  THR   32   HN   8.04         HA   5.29         HB   4.03        9PTI 174
SHIFTS  THR   32   QG2  0.60                                            9PTI 175
SHIFTS  PHE   33   HN   9.36         HA   4.86        2HB   2.95        9PTI 176
SHIFTS  PHE   33  3HB   3.09         CG   7.08         CZ   7.13        9PTI 177
SHIFTS  PHE   33   HZ   7.00                                            9PTI 178
SHIFTS  VAL   34   HN   8.37         HA   3.91         HB   1.95        9PTI 179
SHIFTS  VAL   34   QG1  0.71         QG2  0.80                          9PTI 180
SHIFTS  TYR   35   HN   9.39         HA   4.89        2HB   2.51        9PTI 181
SHIFTS  TYR   35  3HB   2.67         CG   7.08         HD1  7.78        9PTI 182
SHIFTS  TYR   35   HE1  6.79         HE2  6.86         HD2  6.70        9PTI 183
SHIFTS  GLY   36   HN   8.61        1HA   4.31        2HA   3.24        9PTI 184
SHIFTS  GLY   37   HN   4.30        1HA   2.90        2HA   4.22        9PTI 185
SHIFTS  CYS   38   HN   7.75         HA   4.95        2HB   3.95        9PTI 186
SHIFTS  CYS   38  3HB   3.03                                            9PTI 187
SHIFTS  ARG   39   HN   9.09         HA   3.93         QB   2.27        9PTI 188
SHIFTS  ARG   39  2HG   1.63        3HG   1.58        2HD   3.28        9PTI 189
SHIFTS  ARG   39  3HD   3.19         HE   7.29                          9PTI 190
SHIFTS  ALA   40   HN   7.38         HA   4.09         QB   1.20        9PTI 191
SHIFTS  LYS   41   HN   8.32         HA   4.44        2HB   1.66        9PTI 192
SHIFTS  LYS   41  3HB   2.24         QG   2.13        2HD   1.22        9PTI 193
SHIFTS  LYS   41  3HD   1.49         QE   1.33                          9PTI 194
SHIFTS  ARG   42   HN   8.37         HA   3.66        2HB   1.03        9PTI 195
SHIFTS  ARG   42  3HB   0.37        2HG   1.47        3HG   1.21        9PTI 196
SHIFTS  ARG   42  2HD   2.83        3HD   2.69         HE   7.13        9PTI 197
SHIFTS  ASN   43   HN   7.21         HA   5.06        2HB   3.25        9PTI 198
SHIFTS  ASN   43  3HB   3.35        1HD2  7.98        2HD2  7.78        9PTI 199
SHIFTS  ASN   44   HN   6.78         HA   4.90        2HB   2.78        9PTI 200
SHIFTS  ASN   44  3HB   2.51        1HD2  7.84        2HD2  3.39        9PTI 201
SHIFTS  PHE   45   HN   9.94         HA   5.13        2HB   2.80        9PTI 202
SHIFTS  PHE   45  3HB   3.41         CG   7.41         HZ   7.64        9PTI 203
SHIFTS  LYS   46   HN   9.92         HA   4.38        2HB   1.99        9PTI 204
SHIFTS  LYS   46  3HB   2.11        2HG   1.60        3HG   1.48        9PTI 205
SHIFTS  LYS   46  2HD   1.79        3HD   2.88         QE   3.05        9PTI 206
SHIFTS  SER   47   HN   7.47         HA   4.53        2HB   4.11        9PTI 207
SHIFTS  SER   47  3HB   3.86                                            9PTI 208
SHIFTS  ALA   48   HN   8.15         HA   3.16         QB   1.04        9PTI 209
SHIFTS  GLU   49   HN   8.59         HA   3.87        2HB   2.02        9PTI 210
SHIFTS  GLU   49  3HB   1.84        2HG   2.35        3HG   2.22        9PTI 211
SHIFTS  ASP   50   HN   7.86         HA   4.28        2HB   2.74        9PTI 212
SHIFTS  ASP   50  3HB   2.88                                            9PTI 213
SHIFTS  CYS   51   HN   7.00         HA   1.69        2HB   2.88        9PTI 214
SHIFTS  CYS   51  3HB   3.17                                            9PTI 215
SHIFTS  MET   52   HN   8.60         HA   4.17        2HB   2.05        9PTI 216
SHIFTS  MET   52  3HB   1.96         QG   2.68         QE   2.16        9PTI 217
SHIFTS  ARG   53   HN   8.29         HA   3.98        2HB   1.93        9PTI 218
SHIFTS  ARG   53  3HB   1.85        2HG   1.73        3HG   1.62        9PTI 219
SHIFTS  ARG   53  2HD   3.27        3HD   3.22         HE   7.27        9PTI 220
SHIFTS  THR   54   HN   7.40         HA   4.07         HB   4.00        9PTI 221
SHIFTS  THR   54   QG2  1.62                                            9PTI 222
SHIFTS  CYS   55   HN   8.24         HA   4.62        2HB   2.24        9PTI 223
SHIFTS  CYS   55  3HB   2.01                                            9PTI 224
SHIFTS  GLY   56   HN   7.97         QA   3.85                          9PTI 225
SHIFTS  GLY   57   HN   8.20        1HA   3.98        2HA   3.80        9PTI 226
SHIFTS  ALA   58   HN   7.95         HA   4.01         QB   1.31        9PTI 227
JCOUPL  ASP    3   HN   HA   1.80                                       9PTI 228
JCOUPL  PHE    4   HN   HA   2.70                                       9PTI 229
JCOUPL  CYS    5   HN   HA   4.90                                       9PTI 230
JCOUPL  LEU    6   HN   HA   8.20                                       9PTI 231
JCOUPL  GLU    7   HN   HA   6.00                                       9PTI 232
JCOUPL  TYR   10   HN   HA   9.40                                       9PTI 233
JCOUPL  THR   11   HN   HA   4.70                                       9PTI 234
JCOUPL  CYS   14   HN   HA   9.10                                       9PTI 235
JCOUPL  LYS   15   HN   HA   7.40                                       9PTI 236
JCOUPL  ALA   16   HN   HA   9.40                                       9PTI 237
JCOUPL  ARG   17   HN   HA   9.70                                       9PTI 238
JCOUPL  ILE   18   HN   HA   8.70                                       9PTI 239
JCOUPL  ILE   19   HN   HA   6.50                                       9PTI 240
JCOUPL  ARG   20   HN   HA   9.10                                       9PTI 241
JCOUPL  TYR   21   HN   HA   9.50                                       9PTI 242
JCOUPL  PHE   22   HN   HA   8.60                                       9PTI 243
JCOUPL  TYR   23   HN   HA   7.00                                       9PTI 244
JCOUPL  ASN   24   HN   HA   9.20                                       9PTI 245
JCOUPL  ALA   25   HN   HA   2.60                                       9PTI 246
JCOUPL  LYS   26   HN   HA   6.10                                       9PTI 247
JCOUPL  ALA   27   HN   HA   7.50                                       9PTI 248
JCOUPL  LEU   29   HN   HA   7.80                                       9PTI 249
JCOUPL  CYS   30   HN   HA   8.60                                       9PTI 250
JCOUPL  GLN   31   HN   HA   9.00                                       9PTI 251
JCOUPL  THR   32   HN   HA   7.50                                       9PTI 252
JCOUPL  PHE   33   HN   HA   6.90                                       9PTI 253
JCOUPL  VAL   34   HN   HA   8.30                                       9PTI 254
JCOUPL  TYR   35   HN   HA   8.50                                       9PTI 255
JCOUPL  CYS   38   HN   HA   6.80                                       9PTI 256
JCOUPL  ARG   39   HN   HA   7.00                                       9PTI 257
JCOUPL  ALA   40   HN   HA   2.20                                       9PTI 258
JCOUPL  LYS   41   HN   HA  10.00                                       9PTI 259
JCOUPL  ARG   42   HN   HA   4.80                                       9PTI 260
JCOUPL  ASN   43   HN   HA   7.70                                       9PTI 261
JCOUPL  ASN   44   HN   HA   7.40                                       9PTI 262
JCOUPL  PHE   45   HN   HA  10.20                                       9PTI 263
JCOUPL  LYS   46   HN   HA   5.60                                       9PTI 264
JCOUPL  SER   47   HN   HA   8.10                                       9PTI 265
JCOUPL  ALA   48   HN   HA   3.80                                       9PTI 266
JCOUPL  GLU   49   HN   HA   3.90                                       9PTI 267
JCOUPL  ASP   50   HN   HA   4.60                                       9PTI 268
JCOUPL  CYS   51   HN   HA   4.50                                       9PTI 269
JCOUPL  MET   52   HN   HA   4.70                                       9PTI 270
JCOUPL  ARG   53   HN   HA   4.20                                       9PTI 271
JCOUPL  THR   54   HN   HA   6.50                                       9PTI 272
JCOUPL  CYS   55   HN   HA   9.20                                       9PTI 273
JCOUPL  PHE    4   HA  2HB   4.50    HA  3HB   4.50                     9PTI 274
JCOUPL  CYS    5   HA  3HB   3.00    HA  2HB  12.00                     9PTI 275
JCOUPL  THR   11   HA   HB   8.20                                       9PTI 276
JCOUPL  CYS   14   HA  3HB   3.00    HA  2HB  12.00                     9PTI 277
JCOUPL  LYS   15   HA  3HB   3.50    HA  2HB  11.00                     9PTI 278
JCOUPL  ILE   18   HA   HB  10.50                                       9PTI 279
JCOUPL  ILE   19   HA   HB  11.00                                       9PTI 280
JCOUPL  ARG   20   HA  3HB   2.50    HA  2HB  12.50                     9PTI 281
JCOUPL  PHE   22   HA  3HB   3.50    HA  2HB   4.40                     9PTI 282
JCOUPL  TYR   23   HA  3HB  12.50    HA  2HB   3.80                     9PTI 283
JCOUPL  ASN   24   HA  3HB  12.00    HA  2HB   3.50                     9PTI 284
JCOUPL  CYS   30   HA  2HB  12.00    HA  3HB   2.50                     9PTI 285
JCOUPL  GLN   31   HA  3HB   3.50    HA  2HB  11.00                     9PTI 286
JCOUPL  THR   32   HA   HB   2.50                                       9PTI 287
JCOUPL  PHE   33   HA  3HB   3.00    HA  2HB   4.50                     9PTI 288
JCOUPL  VAL   34   HA   HB  10.50                                       9PTI 289
JCOUPL  TYR   35   HA  3HB  11.50    HA  2HB   6.50                     9PTI 290
JCOUPL  CYS   38   HA  2HB   6.50    HA  3HB   1.50                     9PTI 291
JCOUPL  LYS   41   HA  3HB   2.50    HA  2HB  12.50                     9PTI 292
JCOUPL  ASN   43   HA  2HB   3.00    HA  3HB  12.00                     9PTI 293
JCOUPL  ASN   44   HA  2HB  11.00    HA  3HB   4.00                     9PTI 294
JCOUPL  PHE   45   HA  3HB   4.00    HA  2HB  11.80                     9PTI 295
JCOUPL  LYS   46   HA  3HB   4.00    HA  2HB   9.50                     9PTI 296
JCOUPL  SER   47   HA  2HB   3.00    HA  3HB   2.80                     9PTI 297
JCOUPL  CYS   51   HA  3HB  11.50    HA  2HB   5.50                     9PTI 298
JCOUPL  MET   52   HA  2HB  10.20    HA  3HB   3.00                     9PTI 299
JCOUPL  THR   54   HA   HB  10.00                                       9PTI 300
JCOUPL  CYS   55   HA  2HB  11.00    HA  3HB   1.50                     9PTI 301
NOEUPP  ARG    1  HA  ARG    1  QG   3.96      HA  PRO    2 2HD   3.00  9PTI 302
NOEUPP  ARG    1  HA  PRO    2 3HD   2.40      QB  ARG    1  HE   5.50  9PTI 303
NOEUPP  ARG    1  QB  PRO    2 2HD   5.00      QB  CYS   55  HA   5.50  9PTI 304
NOEUPP  ARG    1  QB  GLY   57  HN   5.50     2HD  LEU    6  QD2  5.50  9PTI 305
NOEUPP  ARG    1 3HD  LEU    6  QD2  5.50      QD  LEU    6  QD1  6.38  9PTI 306
NOEUPP  ARG    1  QD  TYR   23  CZ   7.38      HE  CYS    5  QB   4.28  9PTI 307
NOEUPP  PRO    2  HA  ASP    3  HN   2.70      HA  PHE    4  HN   4.50  9PTI 308
NOEUPP  PRO    2 2HB  ASP    3  HN   3.90     2HB  PHE    4  HN   3.70  9PTI 309
NOEUPP  PRO    2 2HB  PHE    4  CG   6.50     2HB  PHE    4  CZ   6.50  9PTI 310
NOEUPP  PRO    2 2HB  PHE    4  HZ   4.50     2HB  CYS    5  HN   4.00  9PTI 311
NOEUPP  PRO    2 3HB  ASP    3  HN   3.70     3HB  PHE    4  HN   3.90  9PTI 312
NOEUPP  PRO    2 3HB  PHE    4  CG   6.50     3HB  PHE    4  CZ   6.50  9PTI 313
NOEUPP  PRO    2 3HB  PHE    4  HZ   4.50     2HG  PHE    4  CG   6.50  9PTI 314
NOEUPP  PRO    2 2HG  PHE    4  CZ   5.90     2HG  PHE    4  HZ   2.90  9PTI 315
NOEUPP  PRO    2 2HG  CYS    5  HN   4.50     2HG  CYS   55  HA   4.50  9PTI 316
NOEUPP  PRO    2 3HG  PHE    4  CZ   6.50     3HG  PHE    4  HZ   4.50  9PTI 317
NOEUPP  PRO    2 3HG  CYS   55  HA   4.50     2HD  CYS   55  HA   4.50  9PTI 318
NOEUPP  ASP    3  HN  ASP    3  HA   2.80      HN  ASP    3  QB   3.60  9PTI 319
NOEUPP  ASP    3  HN  PHE    4  HN   3.20      HA  PHE    4  HN   3.50  9PTI 320
NOEUPP  ASP    3  HA  CYS    5  HN   4.00      HA  LEU    6  HG   4.50  9PTI 321
NOEUPP  ASP    3  HA  LEU    6  QD1  5.50      HA  LEU    6  QD2  5.50  9PTI 322
NOEUPP  ASP    3  QB  PHE    4  HN   4.50                               9PTI 323
NOEUPP  PHE    4  HN  PHE    4 2HB   3.60      HN  PHE    4 3HB   2.80  9PTI 324
NOEUPP  PHE    4  HN  CYS    5  HN   3.50      HA  PHE    4 2HB   2.60  9PTI 325
NOEUPP  PHE    4  HA  PHE    4 3HB   2.70      HA  LEU    6  HN   3.60  9PTI 326
NOEUPP  PHE    4 2HB  ARG   42 2HB   3.70     2HB  ARG   42 3HB   4.30  9PTI 327
NOEUPP  PHE    4 3HB  ARG   42 2HB   4.50      CG  CYS    5  HN   6.50  9PTI 328
NOEUPP  PHE    4  CG  CYS    5  HA   6.50      CG  ARG   42 2HB   6.50  9PTI 329
NOEUPP  PHE    4  CG  ARG   42 3HB   6.50      CG  ASN   43  HA   6.50  9PTI 330
NOEUPP  PHE    4  CG  ASN   43 1HD2  6.50      CG  PHE   45  HZ   6.50  9PTI 331
NOEUPP  PHE    4  CZ  CYS    5  QB   7.38      CZ  ARG   42 2HB   6.50  9PTI 332
NOEUPP  PHE    4  CZ  ARG   42  QD   5.68      CZ  ASN   43  HA   6.50  9PTI 333
NOEUPP  PHE    4  CZ  PHE   45  HZ   6.20                               9PTI 334
NOEUPP  CYS    5  HN  CYS    5 2HB   4.10      HN  CYS    5 3HB   4.10  9PTI 335
NOEUPP  CYS    5  HN  CYS    5  QB   3.36      HN  LEU    6  HN   3.00  9PTI 336
NOEUPP  CYS    5  HN  LEU    6  QD1  4.30      HA  GLU    7  HN   4.50  9PTI 337
NOEUPP  CYS    5 2HB  LEU    6  HN   4.50     3HB  LEU    6  HN   4.50  9PTI 338
NOEUPP  CYS    5  QB  LEU    6  HN   4.03      QB  LEU    6  QD1  6.38  9PTI 339
NOEUPP  CYS    5  QB  LEU    6  QD2  6.38      QB  TYR   23  CZ   7.38  9PTI 340
NOEUPP  LEU    6  HN  LEU    6  QB   3.60      HN  LEU    6  HG   3.10  9PTI 341
NOEUPP  LEU    6  HN  LEU    6  QD1  5.30      HN  LEU    6  QD2  5.50  9PTI 342
NOEUPP  LEU    6  HN  GLU    7  QG   5.38      HA  LEU    6  QD1  5.50  9PTI 343
NOEUPP  LEU    6  HA  LEU    6  QD2  4.10      HA  ALA   25  HN   4.20  9PTI 344
NOEUPP  LEU    6  HA  ALA   25  QB   4.00      QB  GLU    7  HN   5.10  9PTI 345
NOEUPP  LEU    6  QD2 TYR   23  CZ   7.50      QD2 ALA   25  HN   5.50  9PTI 346
NOEUPP  LEU    6  QD2 ALA   25  QB   4.60                               9PTI 347
NOEUPP  GLU    7  HN  GLU    7 2HB   3.50      HN  GLU    7 3HB   3.50  9PTI 348
NOEUPP  GLU    7  HN  GLU    7  QB   3.05      HN  GLU    7  QG   4.18  9PTI 349
NOEUPP  GLU    7  HN  ASN   43 1HD2  4.30      HA  GLU    7  QG   3.72  9PTI 350
NOEUPP  GLU    7  HA  PRO    8 2HD   2.80      HA  PRO    8 3HD   2.80  9PTI 351
NOEUPP  GLU    7  HA  PRO    8  QD   2.51     2HB  ASN   43 1HD2  4.50  9PTI 352
NOEUPP  GLU    7 3HB  ASN   43 1HD2  4.50      QB  PRO    8  QD   6.25  9PTI 353
NOEUPP  GLU    7 2HG  ASN   43 3HB   4.50     3HG  ASN   43 3HB   4.50  9PTI 354
NOEUPP  PRO    8  HA  PRO    9 2HD   3.10      HA  PRO    9 3HD   3.20  9PTI 355
NOEUPP  PRO    8 2HB  PRO    9 2HD   4.50     3HB  PRO    9 2HD   3.70  9PTI 356
NOEUPP  PRO    9  HA  TYR   10  HN   2.70     2HB  PHE   22  CZ   6.50  9PTI 357
NOEUPP  PRO    9 2HB  PHE   33 2HB   4.50     2HB  PHE   33 3HB   4.50  9PTI 358
NOEUPP  PRO    9 2HB  PHE   33  CG   6.50     2HB  PHE   33  CZ   6.50  9PTI 359
NOEUPP  PRO    9 3HB  TYR   10  HN   4.50     3HB  PHE   22 2HB   4.50  9PTI 360
NOEUPP  PRO    9 3HB  PHE   22  CG   6.50     3HB  PHE   22  CZ   6.50  9PTI 361
NOEUPP  PRO    9 3HB  PHE   33 2HB   4.50     3HB  PHE   33 3HB   4.50  9PTI 362
NOEUPP  PRO    9 3HB  PHE   33  CZ   6.50     3HG  PHE   22  CG   6.50  9PTI 363
NOEUPP  PRO    9 3HG  PHE   22  CZ   6.50     3HG  PHE   33 2HB   4.50  9PTI 364
NOEUPP  PRO    9 3HG  PHE   33 3HB   4.50                               9PTI 365
NOEUPP  TYR   10  HN  TYR   10  QB   3.44      HN  PHE   33  CZ   6.50  9PTI 366
NOEUPP  TYR   10  HA  THR   11  HN   2.50      HA  GLY   12  HN   4.40  9PTI 367
NOEUPP  TYR   10 2HB  LYS   41 2HD   6.25     2HB  LYS   41 3HD   6.25  9PTI 368
NOEUPP  TYR   10 3HB  LYS   41 2HD   6.25     3HB  LYS   41 3HD   6.25  9PTI 369
NOEUPP  TYR   10  QB  GLY   12  HN   4.88      QB  LYS   41  HN   5.38  9PTI 370
NOEUPP  TYR   10  QB  LYS   41 2HB   4.48      QB  LYS   41  QD   5.30  9PTI 371
NOEUPP  TYR   10  QB  LYS   41  QE   5.98      CG  THR   11  HN   6.50  9PTI 372
NOEUPP  TYR   10  CG  GLY   12 2HA   6.50      CG  ARG   39  QB   7.50  9PTI 373
NOEUPP  TYR   10  CG  ALA   40  HA   6.50      CG  LYS   41  HN   6.50  9PTI 374
NOEUPP  TYR   10  CG  LYS   41  QG   7.50      CG  LYS   41 2HD   6.50  9PTI 375
NOEUPP  TYR   10  CG  LYS   41 3HD   6.50      CG  LYS   41  QE   7.50  9PTI 376
NOEUPP  TYR   10  CZ  GLY   12 1HA   6.50      CZ  GLY   12 2HA   6.50  9PTI 377
NOEUPP  TYR   10  CZ  PRO   13  QD   7.38      CZ  ARG   39  QB   7.50  9PTI 378
NOEUPP  TYR   10  CZ  LYS   41  QG   7.50      CZ  LYS   41  QE   7.50  9PTI 379
NOEUPP  THR   11  HN  THR   11  HB   2.60      HN  THR   11  QG2  4.40  9PTI 380
NOEUPP  THR   11  HN  GLY   12  HN   2.90      HA  PHE   33  CZ   6.40  9PTI 381
NOEUPP  THR   11  HA  TYR   35  HA   3.00      HA  TYR   35  HD1  4.50  9PTI 382
NOEUPP  THR   11  HA  GLY   36  HN   3.30      HB  GLY   12  HN   3.10  9PTI 383
NOEUPP  THR   11  QG2 GLY   12  HN   4.70      QG2 TYR   35  HA   4.10  9PTI 384
NOEUPP  THR   11  QG2 GLY   36  HN   3.90                               9PTI 385
NOEUPP  GLY   12  HN  GLY   12 1HA   2.80     1HA  PRO   13 2HD   3.50  9PTI 386
NOEUPP  GLY   12 1HA  PRO   13 3HD   3.50     1HA  PRO   13  QD   3.14  9PTI 387
NOEUPP  GLY   12 2HA  CYS   14  HN   4.40                               9PTI 388
NOEUPP  PRO   13 2HD  ARG   39  QB   5.50     3HD  ARG   39  QB   5.50  9PTI 389
NOEUPP  PRO   13  QD  CYS   14  HN   5.13                               9PTI 390
NOEUPP  CYS   14  HN  CYS   14 2HB   3.40      HN  GLY   36  QA   5.18  9PTI 391
NOEUPP  CYS   14  HA  LYS   15  HN   3.00     3HB  LYS   15  HN   2.90  9PTI 392
NOEUPP  CYS   14 3HB  ALA   16  HN   4.10                               9PTI 393
NOEUPP  LYS   15  HN  LYS   15 2HB   3.10      HN  LYS   15 3HB   4.00  9PTI 394
NOEUPP  LYS   15  HN  LYS   15 2HG   4.50      HN  LYS   15 3HG   4.50  9PTI 395
NOEUPP  LYS   15  HN  LYS   15  QG   4.31      HA  ALA   16  HN   3.50  9PTI 396
NOEUPP  ALA   16  HN  ALA   16  HA   2.90      HN  ALA   16  QB   3.40  9PTI 397
NOEUPP  ALA   16  HN  GLY   36  QA   5.38      HA  ARG   17  HN   2.60  9PTI 398
NOEUPP  ALA   16  HA  ARG   17  QH2  5.50      QB  ARG   17  HN   3.30  9PTI 399
NOEUPP  ALA   16  QB  ILE   18  QD1  5.10      QB  GLY   37 1HA   5.50  9PTI 400
NOEUPP  ALA   16  QB  GLY   37 2HA   4.90                               9PTI 401
NOEUPP  ARG   17  HN  ARG   17 2HB   3.10      HN  ARG   17 3HB   3.80  9PTI 402
NOEUPP  ARG   17  HN  ARG   17  QG   5.50      HN  ILE   18 2HG1  4.50  9PTI 403
NOEUPP  ARG   17  HN  ILE   18 3HG1  4.50      HN  ILE   18  QD1  5.50  9PTI 404
NOEUPP  ARG   17  HA  ILE   18  HN   2.80     2HB  ARG   17  HE   4.50  9PTI 405
NOEUPP  ARG   17 2HB  ILE   18  HN   4.20     2HB  VAL   34  QG1  3.90  9PTI 406
NOEUPP  ARG   17  QD  VAL   34  QG1  6.50      QH2 VAL   34  QG1  6.50  9PTI 407
NOEUPP  ILE   18  HN  ILE   18  HB   2.80      HN  ILE   18 2HG1  4.10  9PTI 408
NOEUPP  ILE   18  HN  ILE   18 3HG1  4.10      HN  ILE   18  QG1  3.71  9PTI 409
NOEUPP  ILE   18  HN  VAL   34  QG1  3.90      HN  TYR   35  HN   3.40  9PTI 410
NOEUPP  ILE   18  HA  ILE   19  HN   2.40      HB  ILE   19  HN   4.50  9PTI 411
NOEUPP  ILE   18  HB  TYR   35  HN   4.50      HB  TYR   35 3HB   3.80  9PTI 412
NOEUPP  ILE   18  HB  TYR   35  HD2  4.00      QG2 ILE   18  QD1  4.20  9PTI 413
NOEUPP  ILE   18  QG2 ILE   19  HN   4.10      QG2 ARG   20  QD   6.38  9PTI 414
NOEUPP  ILE   18  QG2 TYR   35  HN   5.50      QG2 TYR   35  HD2  4.00  9PTI 415
NOEUPP  ILE   18  QG1 TYR   35  HN   5.38      QD1 TYR   35  HE2  5.50  9PTI 416
NOEUPP  ILE   18  QD1 TYR   35  HD2  4.80      QD1 GLY   37 1HA   4.40  9PTI 417
NOEUPP  ILE   18  QD1 GLY   37 2HA   5.50                               9PTI 418
NOEUPP  ILE   19  HN  ILE   19  HB   2.50      HN  ILE   19 2HG1  4.10  9PTI 419
NOEUPP  ILE   19  HN  ILE   19 3HG1  4.10      HN  ILE   19  QG1  3.57  9PTI 420
NOEUPP  ILE   19  HN  ILE   19  QD1  5.50      HN  VAL   34  HA   4.50  9PTI 421
NOEUPP  ILE   19  HA  ILE   19  QG2  3.00      HA  ILE   19  QD1  3.20  9PTI 422
NOEUPP  ILE   19  HA  ARG   20  HN   2.40      HA  PHE   33  HN   4.40  9PTI 423
NOEUPP  ILE   19  HA  VAL   34  HA   2.90      HA  VAL   34  QG2  5.40  9PTI 424
NOEUPP  ILE   19  HA  TYR   35  HN   3.50      QG2 ARG   20  HN   3.80  9PTI 425
NOEUPP  ILE   19  QG2 ARG   20  HA   5.50      QG2 TYR   21  CG   7.50  9PTI 426
NOEUPP  ILE   19  QG2 TYR   21  CZ   7.50      QG2 THR   32  HA   5.30  9PTI 427
NOEUPP  ILE   19  QG2 THR   32  HB   3.20      QG2 PHE   33  HN   5.10  9PTI 428
NOEUPP  ILE   19  QG1 VAL   34  QG2  6.38      QD1 ARG   20  HN   5.50  9PTI 429
NOEUPP  ILE   19  QD1 THR   32  HB   5.40      QD1 VAL   34  HA   4.70  9PTI 430
NOEUPP  ARG   20  HN  ARG   20 2HB   3.00      HN  TYR   21  HN   4.50  9PTI 431
NOEUPP  ARG   20  HN  THR   32  HA   4.50      HN  PHE   33  HN   3.10  9PTI 432
NOEUPP  ARG   20  HN  VAL   34  HA   3.80      HN  TYR   35  HN   3.80  9PTI 433
NOEUPP  ARG   20  HA  ARG   20 3HB   3.00      HA  ARG   20 2HD   3.90  9PTI 434
NOEUPP  ARG   20  HA  ARG   20 3HD   3.90      HA  ARG   20  QD   3.28  9PTI 435
NOEUPP  ARG   20  HA  LYS   46  HA   4.20     2HB  TYR   21  HN   3.80  9PTI 436
NOEUPP  ARG   20 2HB  PHE   33  CG   6.50     2HB  PHE   33  CZ   6.50  9PTI 437
NOEUPP  ARG   20 2HB  TYR   35  HN   4.50     2HB  TYR   35 2HB   4.40  9PTI 438
NOEUPP  ARG   20 3HB  ARG   20  HE   4.50     3HB  TYR   21  HN   2.80  9PTI 439
NOEUPP  ARG   20 3HB  TYR   21  CG   6.50     3HB  PHE   33  CZ   6.50  9PTI 440
NOEUPP  ARG   20 3HB  ASN   44  HA   4.50     3HB  PHE   45  HN   4.30  9PTI 441
NOEUPP  ARG   20  QG  ARG   20  HE   3.93      QG  TYR   21  HN   5.38  9PTI 442
NOEUPP  ARG   20  QG  TYR   35  HN   5.38      QG  TYR   35 2HB   5.38  9PTI 443
NOEUPP  ARG   20  QG  TYR   35 3HB   5.28      QG  TYR   35  HD2  4.18  9PTI 444
NOEUPP  ARG   20 2HD  TYR   21  HN   4.50     2HD  LYS   46  HA   3.80  9PTI 445
NOEUPP  ARG   20 3HD  TYR   21  HN   4.50     3HD  LYS   46  HA   3.80  9PTI 446
NOEUPP  ARG   20  QD  TYR   35  HD2  5.38      QD  LYS   46  HA   3.36  9PTI 447
NOEUPP  TYR   21  HN  TYR   21 2HB   3.10      HN  TYR   21 3HB   4.10  9PTI 448
NOEUPP  TYR   21  HN  PHE   33  CZ   6.50      HN  ASN   44  HA   4.50  9PTI 449
NOEUPP  TYR   21  HN  PHE   45  HN   3.10      HN  LYS   46  HA   4.50  9PTI 450
NOEUPP  TYR   21  HA  PHE   22  HN   2.60      HA  PHE   22  CG   6.50  9PTI 451
NOEUPP  TYR   21  HA  THR   32  HA   2.60      HA  THR   32  HB   4.50  9PTI 452
NOEUPP  TYR   21  HA  THR   32  QG2  5.00      HA  PHE   33  HN   3.70  9PTI 453
NOEUPP  TYR   21  HA  PHE   33  CG   6.50      HA  PHE   33  CZ   6.50  9PTI 454
NOEUPP  TYR   21  HA  PHE   45  HN   4.50     2HB  PHE   22  HN   3.10  9PTI 455
NOEUPP  TYR   21 2HB  THR   32  HA   4.50     2HB  PHE   45  HN   4.20  9PTI 456
NOEUPP  TYR   21  CG  PHE   22  HN   6.50      CG  CYS   30 2HB   6.50  9PTI 457
NOEUPP  TYR   21  CG  GLN   31  HN   6.50      CG  THR   32  QG2  7.50  9PTI 458
NOEUPP  TYR   21  CG  SER   47  HN   6.50      CG  SER   47  HA   6.50  9PTI 459
NOEUPP  TYR   21  CG  ALA   48  HN   6.50      CG  ALA   48  HA   6.50  9PTI 460
NOEUPP  TYR   21  CG  ALA   48  QB   7.50      CZ  THR   32  HA   6.50  9PTI 461
NOEUPP  TYR   21  CZ  THR   32  QG2  6.30      CZ  SER   47  HA   6.50  9PTI 462
NOEUPP  TYR   21  CZ  ALA   48  HN   5.40      CZ  ALA   48  QB   6.70  9PTI 463
NOEUPP  PHE   22  HN  PHE   22 3HB   4.00      HN  PHE   22  CZ   5.50  9PTI 464
NOEUPP  PHE   22  HN  TYR   23  HN   4.50      HN  CYS   30  HA   3.90  9PTI 465
NOEUPP  PHE   22  HN  GLN   31  HN   3.00      HN  PHE   33  CG   6.50  9PTI 466
NOEUPP  PHE   22  HA  PHE   22 2HB   2.80      HA  PHE   22 3HB   2.90  9PTI 467
NOEUPP  PHE   22  HA  TYR   23  HN   2.60      HA  PHE   33  CZ   6.50  9PTI 468
NOEUPP  PHE   22  HA  ASN   44  HA   4.50      HA  PHE   45  HN   4.20  9PTI 469
NOEUPP  PHE   22  HA  PHE   45  CG   6.10     2HB  TYR   23  HN   3.10  9PTI 470
NOEUPP  PHE   22 2HB  ASN   43 1HD2  4.50     3HB  TYR   23  HN   4.10  9PTI 471
NOEUPP  PHE   22 3HB  ASN   43 1HD2  4.50      CG  TYR   23  HN   6.50  9PTI 472
NOEUPP  PHE   22  CG  ASN   24 1HD2  6.30      CG  ALA   25  HN   6.50  9PTI 473
NOEUPP  PHE   22  CG  GLN   31 2HB   6.50      CG  GLN   31 3HB   6.50  9PTI 474
NOEUPP  PHE   22  CG  PHE   33 3HB   6.00      CG  ASN   43 1HD2  6.50  9PTI 475
NOEUPP  PHE   22  CG  ASN   43 2HD2  5.90      CZ  ASN   24  HA   6.50  9PTI 476
NOEUPP  PHE   22  CZ  ASN   24 2HB   5.80      CZ  ASN   24 1HD2  6.50  9PTI 477
NOEUPP  PHE   22  CZ  ALA   25  HN   6.50      CZ  GLN   31 2HB   6.00  9PTI 478
NOEUPP  PHE   22  CZ  PHE   33  HA   6.50      CZ  PHE   33 3HB   6.30  9PTI 479
NOEUPP  PHE   22  CZ  ASN   43 1HD2  6.50      CZ  ASN   43 2HD2  6.50  9PTI 480
NOEUPP  PHE   22  HZ  ASN   24 1HD2  4.50      HZ  GLN   31 2HB   4.50  9PTI 481
NOEUPP  TYR   23  HN  TYR   23 2HB   2.90      HN  TYR   23 3HB   2.80  9PTI 482
NOEUPP  TYR   23  HN  ASN   43 1HD2  4.50      HN  ASN   43 2HD2  3.20  9PTI 483
NOEUPP  TYR   23  HN  PHE   45  CG   6.50      HN  PHE   45  HZ   4.50  9PTI 484
NOEUPP  TYR   23  HA  ASN   24  HN   2.50      HA  CYS   30  HA   2.60  9PTI 485
NOEUPP  TYR   23  HA  GLN   31  HN   3.70     3HB  ASN   43 2HD2  3.70  9PTI 486
NOEUPP  TYR   23 3HB  CYS   55  QB   5.38      CG  LEU   29  HN   6.50  9PTI 487
NOEUPP  TYR   23  CZ  ALA   25  HA   5.40      CZ  ALA   25  QB   6.10  9PTI 488
NOEUPP  TYR   23  CZ  GLY   28 1HA   6.50      CZ  LEU   29  HA   6.50  9PTI 489
NOEUPP  TYR   23  CZ  GLY   56  QA   7.50                               9PTI 490
NOEUPP  ASN   24  HN  ASN   24 2HB   3.10      HN  ASN   24 3HB   2.60  9PTI 491
NOEUPP  ASN   24  HN  ALA   25  HN   4.50      HN  ALA   27  QB   5.50  9PTI 492
NOEUPP  ASN   24  HN  CYS   30  HA   3.20      HN  GLN   31  HN   4.50  9PTI 493
NOEUPP  ASN   24  HA  ASN   24 2HB   2.70      HA  ASN   24 1HD2  4.50  9PTI 494
NOEUPP  ASN   24  HA  ALA   25  HN   2.60      HA  LYS   26  HN   4.10  9PTI 495
NOEUPP  ASN   24  HA  LYS   26  QB   5.50     2HB  ASN   24 1HD2  3.50  9PTI 496
NOEUPP  ASN   24 2HB  LYS   26  HN   4.20     3HB  ALA   25  HN   4.50  9PTI 497
NOEUPP  ASN   24 3HB  ALA   27  HN   3.20     1HD2 ALA   27  QB   4.90  9PTI 498
NOEUPP  ASN   24 1HD2 GLN   31 2HB   4.50     1HD2 GLN   31 2HE2  4.50  9PTI 499
NOEUPP  ASN   24 2HD2 ALA   27  QB   4.40                               9PTI 500
NOEUPP  ALA   25  HN  ALA   25  QB   3.00      HN  LYS   26  HN   3.00  9PTI 501
NOEUPP  ALA   25  HN  ALA   27  HN   4.50      HA  ALA   27  HN   4.10  9PTI 502
NOEUPP  ALA   25  HA  GLY   28  HN   3.40      QB  LYS   26  HN   3.90  9PTI 503
NOEUPP  LYS   26  HN  LYS   26  QB   3.40      HN  LYS   26  QD   5.50  9PTI 504
NOEUPP  LYS   26  HN  ALA   27  HN   2.80      HN  ALA   27  QB   5.50  9PTI 505
NOEUPP  LYS   26  HA  LYS   26  QD   5.50      QB  ALA   27  HN   4.30  9PTI 506
NOEUPP  ALA   27  HN  ALA   27  QB   3.00      HN  GLY   28  HN   2.50  9PTI 507
NOEUPP  ALA   27  QB  GLY   28  HN   4.00      QB  LEU   29  QQD  6.77  9PTI 508
NOEUPP  ALA   27  QB  GLN   31 1HE2  5.50      QB  GLN   31 2HE2  5.20  9PTI 509
NOEUPP  GLY   28  HN  GLY   28 1HA   2.60     1HA  LEU   29  HN   3.30  9PTI 510
NOEUPP  LEU   29  HN  LEU   29  QD1  5.50      HN  LEU   29  QD2  5.50  9PTI 511
NOEUPP  LEU   29  HA  LEU   29  QD1  5.50      HA  LEU   29  QD2  5.50  9PTI 512
NOEUPP  LEU   29  HA  CYS   30  HN   3.10      HA  MET   52  QE   5.20  9PTI 513
NOEUPP  LEU   29  QB  CYS   30  HN   3.80      QQD GLN   31  HA   7.07  9PTI 514
NOEUPP  LEU   29  QQD GLN   31 1HE2  6.97      QQD GLN   31 2HE2  7.07  9PTI 515
NOEUPP  CYS   30  HN  CYS   30 2HB   2.90      HN  CYS   30 3HB   3.70  9PTI 516
NOEUPP  CYS   30  HN  ALA   48  QB   5.00      HA  CYS   30 3HB   2.80  9PTI 517
NOEUPP  CYS   30  HA  GLN   31  HN   2.40      HA  GLN   31 2HB   4.30  9PTI 518
NOEUPP  CYS   30  HA  GLN   31  QG   5.38     2HB  GLN   31  HN   4.50  9PTI 519
NOEUPP  CYS   30 3HB  GLN   31  HN   3.40                               9PTI 520
NOEUPP  GLN   31  HN  GLN   31 2HB   3.10      HN  GLN   31 3HB   3.80  9PTI 521
NOEUPP  GLN   31  HN  GLN   31  QG   5.38      HA  GLN   31 3HB   2.90  9PTI 522
NOEUPP  GLN   31  HA  GLN   31  QG   3.72      HA  THR   32  HN   2.70  9PTI 523
NOEUPP  GLN   31 2HB  THR   32  HN   3.70     3HB  THR   32  HN   2.80  9PTI 524
NOEUPP  THR   32  HN  THR   32  HB   3.90      HN  THR   32  QG2  3.60  9PTI 525
NOEUPP  THR   32  HA  THR   32  HB   2.70      HA  THR   32  QG2  3.20  9PTI 526
NOEUPP  THR   32  HA  PHE   33  HN   2.40      HA  PHE   33  CG   6.50  9PTI 527
NOEUPP  THR   32  HB  PHE   33  HN   2.80      QG2 PHE   33  HN   5.20  9PTI 528
NOEUPP  PHE   33  HN  PHE   33 3HB   3.80      HA  PHE   33 2HB   2.70  9PTI 529
NOEUPP  PHE   33  HA  PHE   33 3HB   2.80      HA  VAL   34  HN   2.60  9PTI 530
NOEUPP  PHE   33  HA  VAL   34  HA   4.50      HA  VAL   34  QG2  5.10  9PTI 531
NOEUPP  PHE   33 2HB  VAL   34  HN   2.80     3HB  VAL   34  HN   4.00  9PTI 532
NOEUPP  PHE   33  CG  VAL   34  HN   6.50      CG  TYR   35  HN   6.50  9PTI 533
NOEUPP  PHE   33  CG  TYR   35  HA   6.50      CZ  TYR   35 2HB   6.50  9PTI 534
NOEUPP  PHE   33  CZ  ASN   44  HA   5.70      CZ  PHE   45  HN   6.50  9PTI 535
NOEUPP  PHE   33  HZ  ASN   44  QB   4.58                               9PTI 536
NOEUPP  VAL   34  HN  VAL   34  HB   2.70      HN  VAL   34  QG2  3.80  9PTI 537
NOEUPP  VAL   34  HA  VAL   34  QG1  3.30      HA  VAL   34  QG2  3.50  9PTI 538
NOEUPP  VAL   34  HA  TYR   35  HN   2.40      QG1 TYR   35  HN   3.90  9PTI 539
NOEUPP  VAL   34  QG1 GLY   36  HN   5.50                               9PTI 540
NOEUPP  TYR   35  HN  TYR   35 2HB   3.10      HN  TYR   35 3HB   2.70  9PTI 541
NOEUPP  TYR   35  HA  TYR   35  HD1  3.40      HA  GLY   36  HN   2.60  9PTI 542
NOEUPP  TYR   35 2HB  GLY   36  HN   4.50     3HB  TYR   35  HD2  2.40  9PTI 543
NOEUPP  TYR   35  HD1 GLY   36  HN   3.60      HE1 GLY   37  HN   4.50  9PTI 544
NOEUPP  TYR   35  HE1 ALA   40  HN   4.40      HE1 ALA   40  HA   3.50  9PTI 545
NOEUPP  TYR   35  HE1 ALA   40  QB   4.20      HE1 ASN   44 1HD2  4.50  9PTI 546
NOEUPP  TYR   35  HE2 GLY   37  HN   4.50      HE2 GLY   37 1HA   3.90  9PTI 547
NOEUPP  TYR   35  HE2 GLY   37 2HA   4.50      HE2 ALA   40  HA   4.50  9PTI 548
NOEUPP  TYR   35  HE2 ALA   40  QB   5.00      HD2 GLY   36  HN   4.50  9PTI 549
NOEUPP  TYR   35  HD2 GLY   37  HN   4.50      HD2 GLY   37 1HA   4.50  9PTI 550
NOEUPP  TYR   35  HD2 ASN   44 1HD2  4.50                               9PTI 551
NOEUPP  GLY   36  HN  GLY   36 1HA   2.80      HN  GLY   36 2HA   2.80  9PTI 552
NOEUPP  CYS   38  HA  CYS   38 2HB   2.90      HA  CYS   38 3HB   2.90  9PTI 553
NOEUPP  CYS   38  HA  ARG   39  HN   2.80      QB  ARG   39  HN   4.98  9PTI 554
NOEUPP  ARG   39  HN  ARG   39  HA   2.40      HN  ARG   39  QG   4.78  9PTI 555
NOEUPP  ARG   39  HN  ARG   39 2HD   4.50      HN  ARG   39 3HD   4.50  9PTI 556
NOEUPP  ARG   39  HN  ALA   40  HN   3.20      HN  ALA   40  QB   5.50  9PTI 557
NOEUPP  ARG   39  HA  ARG   39 2HG   4.20      HA  ARG   39 3HG   4.20  9PTI 558
NOEUPP  ARG   39  HA  ARG   39  QG   4.01      HA  ARG   39  QD   4.88  9PTI 559
NOEUPP  ARG   39  HA  ALA   40  HN   3.00                               9PTI 560
NOEUPP  ALA   40  HN  ALA   40  QB   3.00      HA  LYS   41  HN   2.40  9PTI 561
NOEUPP  ALA   40  HA  ASN   44 1HD2  4.50      QB  ASN   44 1HD2  4.00  9PTI 562
NOEUPP  LYS   41  HN  LYS   41 2HB   2.90      HN  LYS   41 3HB   3.60  9PTI 563
NOEUPP  LYS   41  HN  LYS   41  QD   4.28      HN  LYS   41  QE   5.50  9PTI 564
NOEUPP  LYS   41  HN  ASN   44  QB   5.38      HA  LYS   41 3HB   2.80  9PTI 565
NOEUPP  LYS   41  HA  LYS   41 2HD   4.50      HA  LYS   41 3HD   4.50  9PTI 566
NOEUPP  LYS   41  HA  LYS   41  QD   3.76      HA  LYS   41  QE   5.50  9PTI 567
NOEUPP  LYS   41  HA  ARG   42  HN   2.90     2HB  ARG   42  HN   3.40  9PTI 568
NOEUPP  LYS   41 3HB  LYS   41 2HD   3.50     3HB  LYS   41 3HD   3.50  9PTI 569
NOEUPP  LYS   41 3HB  LYS   41  QE   5.00     3HB  ARG   42  HN   2.50  9PTI 570
NOEUPP  LYS   41 3HB  ASN   43  HN   3.50      QE  ARG   42  HN   5.50  9PTI 571
NOEUPP  ARG   42  HN  ARG   42 2HB   2.70      HN  ARG   42 3HB   3.80  9PTI 572
NOEUPP  ARG   42  HN  ARG   42 2HG   3.80      HN  ARG   42 3HG   3.80  9PTI 573
NOEUPP  ARG   42  HN  ARG   42  QG   3.50      HN  ASN   43  HN   3.00  9PTI 574
NOEUPP  ARG   42  HN  ASN   43 3HB   4.50      HA  ARG   42 3HB   2.80  9PTI 575
NOEUPP  ARG   42  HA  ARG   42  QG   3.87      HA  ASN   44  HN   4.50  9PTI 576
NOEUPP  ARG   42 2HB  ARG   42  HE   4.50     2HB  ASN   43  HN   3.60  9PTI 577
NOEUPP  ARG   42 3HB  ARG   42  HE   4.50     3HB  ASN   43  HN   4.30  9PTI 578
NOEUPP  ASN   43  HN  ASN   43 2HB   2.90      HN  ASN   43 3HB   2.90  9PTI 579
NOEUPP  ASN   43  HA  ASN   44  HN   2.60      HA  PHE   45  HZ   4.50  9PTI 580
NOEUPP  ASN   43 3HB  ASN   43 1HD2  3.40                               9PTI 581
NOEUPP  ASN   44  HN  ASN   44  QB   3.63      HN  PHE   45  HN   4.20  9PTI 582
NOEUPP  ASN   44  HN  PHE   45  HZ   4.50      HA  PHE   45  HN   2.50  9PTI 583
NOEUPP  PHE   45  HN  PHE   45 2HB   2.80      HN  PHE   45 3HB   3.70  9PTI 584
NOEUPP  PHE   45  HN  CYS   51 2HB   4.50      HA  PHE   45 3HB   2.70  9PTI 585
NOEUPP  PHE   45  HA  LYS   46  HN   2.60     2HB  SER   47  HN   3.50  9PTI 586
NOEUPP  PHE   45 2HB  CYS   51  HN   4.50     3HB  LYS   46  HN   3.10  9PTI 587
NOEUPP  PHE   45 3HB  SER   47  HN   2.90     3HB  CYS   51  HN   3.60  9PTI 588
NOEUPP  PHE   45  CG  CYS   51  HA   6.50      CG  CYS   51 2HB   5.80  9PTI 589
NOEUPP  PHE   45  CG  THR   54  QG2  6.60      HZ  CYS   51  HA   4.50  9PTI 590
NOEUPP  PHE   45  HZ  THR   54  HB   3.90      HZ  THR   54  QG2  3.40  9PTI 591
NOEUPP  LYS   46  HN  LYS   46 2HB   3.60      HN  LYS   46 3HB   3.60  9PTI 592
NOEUPP  LYS   46  HN  LYS   46  QB   3.20      HN  LYS   46 2HG   4.50  9PTI 593
NOEUPP  LYS   46  HN  LYS   46 3HG   4.50      HN  LYS   46  QG   3.98  9PTI 594
NOEUPP  LYS   46  HN  LYS   46  QD   5.38      HN  SER   47  HN   2.90  9PTI 595
NOEUPP  LYS   46  HN  CYS   51  HN   4.50      HA  LYS   46  QG   3.94  9PTI 596
NOEUPP  LYS   46  HA  SER   47  HN   3.60     2HB  SER   47  HN   4.50  9PTI 597
NOEUPP  LYS   46 3HB  SER   47  HN   4.50      QB  SER   47  HN   4.17  9PTI 598
NOEUPP  LYS   46 2HG  SER   47  HN   4.50     3HG  SER   47  HN   4.50  9PTI 599
NOEUPP  SER   47  HN  ASP   50  QB   3.90      HA  SER   47 2HB   2.70  9PTI 600
NOEUPP  SER   47  HA  SER   47 3HB   2.90      HA  ALA   48  HN   2.60  9PTI 601
NOEUPP  SER   47 2HB  ALA   48  HN   2.90     2HB  GLU   49  HN   2.90  9PTI 602
NOEUPP  SER   47 2HB  GLU   49  QB   5.50     3HB  ALA   48  HN   4.10  9PTI 603
NOEUPP  ALA   48  HN  ALA   48  QB   3.00      HN  GLU   49  HN   2.90  9PTI 604
NOEUPP  ALA   48  HA  ASP   50  HN   4.50      QB  GLU   49  HN   3.70  9PTI 605
NOEUPP  ALA   48  QB  GLU   49  HA   5.50                               9PTI 606
NOEUPP  GLU   49  HN  GLU   49  HA   2.80      HN  GLU   49  QB   3.60  9PTI 607
NOEUPP  GLU   49  HN  GLU   49 2HG   4.50      HN  GLU   49 3HG   4.50  9PTI 608
NOEUPP  GLU   49  HN  ASP   50  HN   3.00      HA  GLU   49  QG   3.95  9PTI 609
NOEUPP  GLU   49  HA  ARG   53  HN   4.30      QB  ASP   50  HN   4.20  9PTI 610
NOEUPP  GLU   49 2HG  ASP   50  HN   4.50     3HG  ASP   50  HN   4.50  9PTI 611
NOEUPP  ASP   50  HN  ASP   50  QB   3.70      HN  CYS   51  HN   2.90  9PTI 612
NOEUPP  ASP   50  HA  ARG   53  HN   3.60      HA  ARG   53  QB   4.50  9PTI 613
NOEUPP  ASP   50  HA  ARG   53  HE   4.50      HA  THR   54  HN   4.50  9PTI 614
NOEUPP  ASP   50  QB  CYS   51  HN   4.00                               9PTI 615
NOEUPP  CYS   51  HN  CYS   51 2HB   2.80      HN  CYS   51 3HB   2.70  9PTI 616
NOEUPP  CYS   51  HN  MET   52  HN   3.10      HA  CYS   51 2HB   2.90  9PTI 617
NOEUPP  CYS   51  HA  THR   54  HB   3.60     2HB  MET   52  HN   3.80  9PTI 618
NOEUPP  CYS   51 3HB  MET   52  HN   2.70                               9PTI 619
NOEUPP  MET   52  HN  MET   52 2HB   2.70      HN  MET   52 3HB   3.50  9PTI 620
NOEUPP  MET   52  HN  MET   52  QG   4.70      HN  ARG   53  HN   3.20  9PTI 621
NOEUPP  MET   52  HA  CYS   55  HN   3.70      HA  GLY   56  HN   3.10  9PTI 622
NOEUPP  MET   52 2HB  ARG   53  HN   3.30                               9PTI 623
NOEUPP  ARG   53  HN  ARG   53  QB   3.70      HN  ARG   53 2HG   4.50  9PTI 624
NOEUPP  ARG   53  HN  ARG   53 3HG   4.50      HN  ARG   53  QD   5.38  9PTI 625
NOEUPP  ARG   53  HN  THR   54  HN   3.00      HA  ARG   53 2HG   4.00  9PTI 626
NOEUPP  ARG   53  HA  ARG   53 3HG   4.00      HA  ARG   53  QG   3.38  9PTI 627
NOEUPP  ARG   53  HA  ARG   53  QD   5.38      QB  THR   54  HN   4.20  9PTI 628
NOEUPP  THR   54  HN  THR   54  HB   2.70      HN  CYS   55  HN   2.80  9PTI 629
NOEUPP  THR   54  HA  THR   54  QG2  3.60      HB  CYS   55  HN   3.00  9PTI 630
NOEUPP  THR   54  QG2 CYS   55  HN   5.10                               9PTI 631
NOEUPP  CYS   55  HN  CYS   55 2HB   3.90      HN  CYS   55 3HB   3.90  9PTI 632
NOEUPP  CYS   55  HN  CYS   55  QB   3.32      HN  GLY   56  HN   2.60  9PTI 633
NOEUPP  CYS   55  HN  GLY   56  QA   5.30                               9PTI 634
SSUPP   CYS    5  CB  CYS   55  SG   3.10      SG  CYS   55  CB   3.10  9PTI 635
SSUPP   CYS    5  SG  CYS   55  SG   2.10                               9PTI 636
SSUPP   CYS   14  CB  CYS   38  SG   3.10      SG  CYS   38  CB   3.10  9PTI 637
SSUPP   CYS   14  SG  CYS   38  SG   2.10                               9PTI 638
SSUPP   CYS   30  CB  CYS   51  SG   3.10      SG  CYS   51  CB   3.10  9PTI 639
SSUPP   CYS   30  SG  CYS   51  SG   2.10                               9PTI 640
SSLOW   CYS    5  SG  CYS   55  SG   2.00      SG  CYS   55  CB   3.00  9PTI 641
SSLOW   CYS    5  CB  CYS   55  SG   3.00                               9PTI 642
SSLOW   CYS   14  SG  CYS   38  SG   2.00      SG  CYS   38  CB   3.00  9PTI 643
SSLOW   CYS   14  CB  CYS   38  SG   3.00                               9PTI 644
SSLOW   CYS   30  SG  CYS   51  SG   2.00      SG  CYS   51  CB   3.00  9PTI 645
SSLOW   CYS   30  CB  CYS   51  SG   3.00                               9PTI 646
ANGLE   ASP    3 PHI    155.00  325.00        PSI    -95.00  105.00     9PTI 647
ANGLE   PHE    4 PHI    -65.00  -35.00        PSI   -105.00  -15.00     9PTI 648
ANGLE   PHE    4 CHI1    45.00   75.00                                  9PTI 649
ANGLE   CYS    5 PHI    -85.00  -45.00        PSI    -85.00    5.00     9PTI 650
ANGLE   CYS    5 CHI1   165.00  315.00                                  9PTI 651
ANGLE   LEU    6 PHI     35.00  285.00        PSI   -105.00  225.00     9PTI 652
ANGLE   GLU    7 PHI   -155.00   45.00        PSI   -105.00  225.00     9PTI 653
ANGLE   GLU    7 CHI1    35.00  335.00                                  9PTI 654
ANGLE   TYR   10 PHI   -155.00  -85.00        PSI     95.00  175.00     9PTI 655
ANGLE   TYR   10 CHI1    55.00  245.00                                  9PTI 656
ANGLE   THR   11 PHI    -85.00  -35.00        PSI    -85.00  -25.00     9PTI 657
ANGLE   THR   11 CHI1  -115.00  -85.00                                  9PTI 658
ANGLE   CYS   14 PHI     45.00  285.00        PSI    145.00  205.00     9PTI 659
ANGLE   CYS   14 CHI1   -95.00  -45.00                                  9PTI 660
ANGLE   LYS   15 PHI   -175.00   55.00        PSI    -45.00  275.00     9PTI 661
ANGLE   LYS   15 CHI1  -195.00   25.00                                  9PTI 662
ANGLE   ARG   17 PHI   -155.00  -85.00        PSI     35.00  195.00     9PTI 663
ANGLE   ARG   17 CHI1  -335.00    5.00                                  9PTI 664
ANGLE   ILE   18 PHI   -165.00  -75.00        PSI     65.00  165.00     9PTI 665
ANGLE   ILE   18 CHI1  -105.00  -25.00                                  9PTI 666
ANGLE   ILE   19 PHI   -105.00  -55.00        PSI     65.00  165.00     9PTI 667
ANGLE   ILE   19 CHI1  -105.00  -45.00                                  9PTI 668
ANGLE   ARG   20 PHI   -165.00  -75.00        PSI    145.00  275.00     9PTI 669
ANGLE   ARG   20 CHI1   -95.00  -45.00                                  9PTI 670
ANGLE   TYR   21 PHI   -155.00  -85.00        PSI    145.00  185.00     9PTI 671
ANGLE   TYR   21 CHI1  -175.00    5.00                                  9PTI 672
ANGLE   PHE   22 PHI     55.00  285.00        PSI    135.00  185.00     9PTI 673
ANGLE   PHE   22 CHI1    45.00   85.00                                  9PTI 674
ANGLE   TYR   23 PHI   -135.00  -65.00        PSI     55.00  175.00     9PTI 675
ANGLE   TYR   23 CHI1   155.00  215.00                                  9PTI 676
ANGLE   ASN   24 PHI   -135.00  -75.00        PSI     55.00  185.00     9PTI 677
ANGLE   ASN   24 CHI1   165.00  195.00                                  9PTI 678
ANGLE   LYS   26 PHI     45.00  305.00        PSI    -85.00   85.00     9PTI 679
ANGLE   LEU   29 PHI     35.00  295.00        PSI     15.00  225.00     9PTI 680
ANGLE   CYS   30 PHI   -165.00  -75.00        PSI    125.00  165.00     9PTI 681
ANGLE   CYS   30 CHI1   -95.00  -45.00                                  9PTI 682
ANGLE   GLN   31 PHI   -165.00  -75.00        PSI    145.00  185.00     9PTI 683
ANGLE   GLN   31 CHI1  -105.00  -45.00                                  9PTI 684
ANGLE   THR   32 PHI     55.00  295.00        PSI    145.00  165.00     9PTI 685
ANGLE   THR   32 CHI1    15.00   75.00                                  9PTI 686
ANGLE   PHE   33 PHI     45.00  295.00        PSI    145.00  185.00     9PTI 687
ANGLE   PHE   33 CHI1    45.00   85.00                                  9PTI 688
ANGLE   VAL   34 PHI   -155.00  -75.00        PSI     65.00  165.00     9PTI 689
ANGLE   VAL   34 CHI1   135.00  215.00                                  9PTI 690
ANGLE   TYR   35 PHI   -125.00  -75.00        PSI     75.00  185.00     9PTI 691
ANGLE   TYR   35 CHI1   145.00  175.00                                  9PTI 692
ANGLE   CYS   38 PHI     35.00  295.00        PSI     85.00  195.00     9PTI 693
ANGLE   CYS   38 CHI1    15.00  105.00                                  9PTI 694
ANGLE   ARG   39 PHI     35.00   95.00        PSI     15.00  105.00     9PTI 695
ANGLE   LYS   41 PHI   -155.00  -85.00        PSI    165.00  205.00     9PTI 696
ANGLE   LYS   41 CHI1   -95.00  -45.00                                  9PTI 697
ANGLE   ARG   42 PHI    -85.00  -35.00        PSI    -85.00    5.00     9PTI 698
ANGLE   ARG   42 CHI1    75.00  325.00                                  9PTI 699
ANGLE   ASN   43 PHI   -135.00  -65.00        PSI     55.00  185.00     9PTI 700
ANGLE   ASN   43 CHI1   165.00  215.00                                  9PTI 701
ANGLE   ASN   44 PHI   -175.00   65.00        PSI     55.00  155.00     9PTI 702
ANGLE   ASN   44 CHI1   155.00  325.00                                  9PTI 703
ANGLE   PHE   45 PHI   -155.00  -85.00        PSI    135.00  185.00     9PTI 704
ANGLE   PHE   45 CHI1   -95.00  -35.00                                  9PTI 705
ANGLE   LYS   46 PHI   -165.00  -45.00        PSI    -95.00   25.00     9PTI 706
ANGLE   LYS   46 CHI1   155.00  325.00                                  9PTI 707
ANGLE   SER   47 PHI     45.00  285.00        PSI    145.00  185.00     9PTI 708
ANGLE   SER   47 CHI1    65.00   75.00                                  9PTI 709
ANGLE   GLU   49 PHI    -75.00  195.00        PSI    -85.00   95.00     9PTI 710
ANGLE   ASP   50 PHI     35.00  325.00        PSI    -85.00   85.00     9PTI 711
ANGLE   CYS   51 PHI    -85.00  -35.00        PSI    -95.00  -45.00     9PTI 712
ANGLE   CYS   51 CHI1   145.00  185.00                                  9PTI 713
ANGLE   MET   52 PHI    -85.00  -35.00        PSI    -95.00  -15.00     9PTI 714
ANGLE   MET   52 CHI1   165.00  315.00                                  9PTI 715
ANGLE   ARG   53 PHI    -75.00  195.00        PSI    -85.00   95.00     9PTI 716
ANGLE   THR   54 PHI   -155.00  -55.00        PSI    -85.00  -25.00     9PTI 717
ANGLE   THR   54 CHI1  -105.00  -35.00                                  9PTI 718
ANGLE   CYS   55 PHI   -165.00  -75.00        PSI    -85.00   55.00     9PTI 719
ANGLE   CYS   55 CHI1   175.00  305.00                                  9PTI 720
MASTER       98    0  122   74  339    6   74                           9PTI 721
END                                                                     9PTI 722



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ARG   1           HN       ARG   1  -8.193   3.022  14.799
    2    HA   ARG   1           HA       ARG   1  -6.780   3.877  12.993
    3   1HB   ARG   1          2HB       ARG   1  -6.995   2.010  11.428
    4   2HB   ARG   1          3HB       ARG   1  -7.148   1.441  13.089
    5   1HG   ARG   1          2HG       ARG   1  -9.660   1.426  12.819
    6   2HG   ARG   1          3HG       ARG   1  -9.473   1.918  11.131
    7   1HD   ARG   1          2HD       ARG   1  -8.402  -0.641  12.369
    8   2HD   ARG   1          3HD       ARG   1  -9.887  -0.479  11.411
    9    HE   ARG   1           HE       ARG   1  -7.881   0.558   9.793
   10   1HH1  ARG   1          2HH2      ARG   1  -8.653  -2.502  11.341
   11   2HH1  ARG   1          1HH2      ARG   1  -7.954  -3.514  10.126
   12   1HH2  ARG   1          2HH1      ARG   1  -6.921  -0.841   8.004
   13   2HH2  ARG   1          1HH1      ARG   1  -6.870  -2.518   8.306
   14    QB   ARG   1           QB       ARG   1  -7.072   1.726  12.259
   15    QG   ARG   1           QG       ARG   1  -9.567   1.672  11.975
   16    QD   ARG   1           QD       ARG   1  -9.145  -0.560  11.890
   17    QH1  ARG   1           QH2      ARG   1  -8.304  -3.008  10.734
   18    QH2  ARG   1           QH1      ARG   1  -6.896  -1.679   8.155
   19    HA   PRO   2           HA       PRO   2  -9.189   6.315  10.062
   20   1HB   PRO   2          2HB       PRO   2  -7.420   6.411   7.912
   21   2HB   PRO   2          3HB       PRO   2  -7.394   7.491   9.312
   22   1HG   PRO   2          2HG       PRO   2  -5.595   5.206   8.677
   23   2HG   PRO   2          3HG       PRO   2  -5.276   6.613   9.713
   24   1HD   PRO   2          2HD       PRO   2  -5.903   4.019  10.633
   25   2HD   PRO   2          3HD       PRO   2  -5.944   5.525  11.587
   26    QB   PRO   2           QB       PRO   2  -7.407   6.951   8.612
   27    QG   PRO   2           QG       PRO   2  -5.436   5.910   9.195
   28    QD   PRO   2           QD       PRO   2  -5.924   4.772  11.110
   29    H    ASP   3           HN       ASP   3  -9.936   6.228   7.778
   30    HA   ASP   3           HA       ASP   3 -11.099   3.731   6.987
   31   1HB   ASP   3          2HB       ASP   3 -11.999   5.202   5.202
   32   2HB   ASP   3          3HB       ASP   3 -12.214   5.975   6.779
   33    QB   ASP   3           QB       ASP   3 -12.107   5.589   5.991
   34    H    PHE   4           HN       PHE   4  -8.582   5.967   5.843
   35    HA   PHE   4           HA       PHE   4  -8.061   4.644   3.413
   36   1HB   PHE   4          2HB       PHE   4  -6.115   5.888   3.195
   37   2HB   PHE   4          3HB       PHE   4  -7.291   6.899   4.040
   38    HD1  PHE   4           HD1      PHE   4  -4.299   4.684   4.585
   39    HD2  PHE   4           HD2      PHE   4  -6.606   8.034   6.044
   40    HE1  PHE   4           HE1      PHE   4  -2.758   4.922   6.499
   41    HE2  PHE   4           HE2      PHE   4  -4.915   8.405   7.815
   42    HZ   PHE   4           HZ       PHE   4  -3.104   6.739   8.159
   43    QB   PHE   4           QB       PHE   4  -6.703   6.394   3.618
   44    QR   PHE   4           QR       PHE   4  -4.645   6.512   6.236
   45    H    CYS   5           HN       CYS   5  -7.162   3.712   6.608
   46    HA   CYS   5           HA       CYS   5  -5.047   1.863   6.096
   47   1HB   CYS   5          2HB       CYS   5  -6.348   2.868   8.317
   48   2HB   CYS   5          3HB       CYS   5  -7.034   1.270   8.222
   49    QB   CYS   5           QB       CYS   5  -6.691   2.069   8.270
   50    H    LEU   6           HN       LEU   6  -8.215   1.764   4.879
   51    HA   LEU   6           HA       LEU   6  -8.234  -1.209   4.666
   52   1HB   LEU   6          2HB       LEU   6 -10.606   0.675   4.909
   53   2HB   LEU   6          3HB       LEU   6 -10.647  -1.079   4.865
   54    HG   LEU   6           HG       LEU   6  -8.939  -0.299   7.072
   55   1HD1  LEU   6          2HD1      LEU   6 -11.560   1.187   7.024
   56   2HD1  LEU   6          3HD1      LEU   6 -10.578   0.902   8.482
   57   3HD1  LEU   6          1HD1      LEU   6  -9.903   1.826   7.143
   58   1HD2  LEU   6          1HD2      LEU   6 -10.292  -2.387   6.833
   59   2HD2  LEU   6          2HD2      LEU   6 -10.410  -1.579   8.406
   60   3HD2  LEU   6          3HD2      LEU   6 -11.729  -1.424   7.221
   61    QB   LEU   6           QB       LEU   6 -10.627  -0.202   4.887
   62    QD1  LEU   6           QD1      LEU   6 -10.680   1.305   7.550
   63    QD2  LEU   6           QD2      LEU   6 -10.810  -1.796   7.487
   64    QQD  LEU   6           QQD      LEU   6 -10.745  -0.245   7.518
   65    H    GLU   7           HN       GLU   7  -7.556   1.471   2.843
   66    HA   GLU   7           HA       GLU   7  -9.236   1.183   0.547
   67   1HB   GLU   7          2HB       GLU   7  -6.777   2.589   1.302
   68   2HB   GLU   7          3HB       GLU   7  -6.661   1.976  -0.346
   69   1HG   GLU   7          2HG       GLU   7  -8.745   3.259  -0.886
   70   2HG   GLU   7          3HG       GLU   7  -8.829   3.749   0.814
   71    QB   GLU   7           QB       GLU   7  -6.719   2.283   0.478
   72    QG   GLU   7           QG       GLU   7  -8.787   3.504  -0.036
   73    HA   PRO   8           HA       PRO   8  -7.316  -2.486  -1.228
   74   1HB   PRO   8          2HB       PRO   8  -8.125  -2.439  -3.805
   75   2HB   PRO   8          3HB       PRO   8  -9.328  -2.503  -2.481
   76   1HG   PRO   8          2HG       PRO   8  -8.342  -0.036  -3.954
   77   2HG   PRO   8          3HG       PRO   8 -10.035  -0.546  -3.714
   78   1HD   PRO   8          2HD       PRO   8  -8.754   1.239  -2.045
   79   2HD   PRO   8          3HD       PRO   8  -9.995   0.099  -1.440
   80    QB   PRO   8           QB       PRO   8  -8.727  -2.471  -3.143
   81    QG   PRO   8           QG       PRO   8  -9.189  -0.291  -3.834
   82    QD   PRO   8           QD       PRO   8  -9.375   0.669  -1.742
   83    HA   PRO   9           HA       PRO   9  -3.461  -1.109  -2.979
   84   1HB   PRO   9          2HB       PRO   9  -2.548  -3.305  -4.306
   85   2HB   PRO   9          3HB       PRO   9  -2.685  -3.210  -2.521
   86   1HG   PRO   9          2HG       PRO   9  -4.653  -4.423  -4.492
   87   2HG   PRO   9          3HG       PRO   9  -3.992  -5.180  -3.012
   88   1HD   PRO   9          2HD       PRO   9  -6.415  -3.942  -3.023
   89   2HD   PRO   9          3HD       PRO   9  -5.324  -3.792  -1.618
   90    QB   PRO   9           QB       PRO   9  -2.617  -3.257  -3.413
   91    QG   PRO   9           QG       PRO   9  -4.323  -4.801  -3.752
   92    QD   PRO   9           QD       PRO   9  -5.870  -3.867  -2.320
   93    H    TYR  10           HN       TYR  10  -4.411   0.520  -4.282
   94    HA   TYR  10           HA       TYR  10  -5.105   0.001  -7.052
   95   1HB   TYR  10          2HB       TYR  10  -6.101   1.767  -5.599
   96   2HB   TYR  10          3HB       TYR  10  -4.572   2.641  -5.695
   97    HD1  TYR  10           HD1      TYR  10  -7.275   1.115  -7.811
   98    HD2  TYR  10           HD2      TYR  10  -4.208   4.138  -7.550
   99    HE1  TYR  10           HE1      TYR  10  -8.065   2.096  -9.937
  100    HE2  TYR  10           HE2      TYR  10  -5.089   5.194  -9.614
  101    HH   TYR  10           HH       TYR  10  -7.786   3.791 -11.484
  102    QB   TYR  10           QB       TYR  10  -5.337   2.204  -5.647
  103    QR   TYR  10           QR       TYR  10  -6.159   3.136  -8.728
  104    H    THR  11           HN       THR  11  -3.452  -0.836  -8.180
  105    HA   THR  11           HA       THR  11  -0.749  -0.196  -8.235
  106    HB   THR  11           HB       THR  11  -2.648  -1.358 -10.277
  107    HG1  THR  11          1HG       THR  11  -1.600  -2.501  -8.433
  108   1HG2  THR  11          1HG2      THR  11  -0.949  -0.164 -11.712
  109   2HG2  THR  11          2HG2      THR  11   0.315  -1.065 -10.843
  110   3HG2  THR  11          3HG2      THR  11  -0.877  -1.927 -11.796
  111    QG2  THR  11           QG2      THR  11  -0.504  -1.052 -11.450
  112    H    GLY  12           HN       GLY  12  -3.382   1.377 -10.002
  113   1HA   GLY  12          1HA       GLY  12  -3.366   3.709 -10.547
  114   2HA   GLY  12          2HA       GLY  12  -1.599   3.692 -10.637
  115    QA   GLY  12           QA       GLY  12  -2.483   3.701 -10.592
  116    HA   PRO  13           HA       PRO  13  -3.423   2.744 -14.858
  117   1HB   PRO  13          2HB       PRO  13  -3.012   5.082 -16.189
  118   2HB   PRO  13          3HB       PRO  13  -4.452   4.782 -15.178
  119   1HG   PRO  13          2HG       PRO  13  -1.925   6.236 -14.384
  120   2HG   PRO  13          3HG       PRO  13  -3.610   6.794 -14.179
  121   1HD   PRO  13          2HD       PRO  13  -2.252   5.570 -12.141
  122   2HD   PRO  13          3HD       PRO  13  -3.995   5.260 -12.404
  123    QB   PRO  13           QB       PRO  13  -3.732   4.932 -15.683
  124    QG   PRO  13           QG       PRO  13  -2.768   6.515 -14.281
  125    QD   PRO  13           QD       PRO  13  -3.124   5.415 -12.272
  126    H    CYS  14           HN       CYS  14  -0.337   3.553 -13.384
  127    HA   CYS  14           HA       CYS  14   1.040   3.584 -15.983
  128   1HB   CYS  14          2HB       CYS  14   2.099   3.618 -13.154
  129   2HB   CYS  14          3HB       CYS  14   3.098   3.485 -14.615
  130    QB   CYS  14           QB       CYS  14   2.598   3.552 -13.884
  131    H    LYS  15           HN       LYS  15   2.238   1.917 -16.956
  132    HA   LYS  15           HA       LYS  15   1.264  -0.768 -16.145
  133   1HB   LYS  15          2HB       LYS  15   2.661   0.102 -18.709
  134   2HB   LYS  15          3HB       LYS  15   2.151  -1.525 -18.292
  135   1HG   LYS  15          2HG       LYS  15  -0.248  -0.501 -18.048
  136   2HG   LYS  15          3HG       LYS  15   0.414   0.805 -19.047
  137   1HD   LYS  15          2HD       LYS  15   1.192  -0.998 -20.708
  138   2HD   LYS  15          3HD       LYS  15   0.445  -2.198 -19.661
  139   1HE   LYS  15          2HE       LYS  15  -1.088  -1.959 -21.381
  140   2HE   LYS  15          3HE       LYS  15  -1.803  -1.064 -20.038
  141   1HZ   LYS  15          1HZ       LYS  15  -0.333   0.092 -22.329
  142   2HZ   LYS  15          2HZ       LYS  15  -1.960   0.100 -22.129
  143   3HZ   LYS  15          3HZ       LYS  15  -1.009   0.965 -21.104
  144    QB   LYS  15           QB       LYS  15   2.406  -0.711 -18.500
  145    QG   LYS  15           QG       LYS  15   0.083   0.152 -18.547
  146    QD   LYS  15           QD       LYS  15   0.818  -1.598 -20.184
  147    QE   LYS  15           QE       LYS  15  -1.446  -1.511 -20.709
  148    QZ   LYS  15           QZ       LYS  15  -1.101   0.386 -21.854
  149    H    ALA  16           HN       ALA  16   3.758   0.984 -15.169
  150    HA   ALA  16           HA       ALA  16   6.021  -0.811 -15.383
  151   1HB   ALA  16          1HB       ALA  16   5.325   1.618 -13.669
  152   2HB   ALA  16          2HB       ALA  16   6.885   0.769 -13.575
  153   3HB   ALA  16          3HB       ALA  16   6.380   1.568 -15.083
  154    QB   ALA  16           QB       ALA  16   6.197   1.319 -14.109
  155    H    ARG  17           HN       ARG  17   6.958  -1.649 -13.135
  156    HA   ARG  17           HA       ARG  17   4.801  -2.575 -11.358
  157   1HB   ARG  17          2HB       ARG  17   6.805  -4.618 -12.023
  158   2HB   ARG  17          3HB       ARG  17   5.077  -4.741 -11.779
  159   1HG   ARG  17          2HG       ARG  17   4.972  -3.678 -14.238
  160   2HG   ARG  17          3HG       ARG  17   6.636  -4.266 -14.306
  161   1HD   ARG  17          2HD       ARG  17   5.296  -6.039 -15.187
  162   2HD   ARG  17          3HD       ARG  17   5.669  -6.535 -13.542
  163    HE   ARG  17           HE       ARG  17   3.441  -6.416 -12.999
  164   1HH1  ARG  17          2HH2      ARG  17   3.949  -4.433 -15.880
  165   2HH1  ARG  17          1HH2      ARG  17   2.284  -4.169 -16.207
  166   1HH2  ARG  17          2HH1      ARG  17   1.184  -6.032 -13.366
  167   2HH2  ARG  17          1HH1      ARG  17   0.667  -5.118 -14.743
  168    QB   ARG  17           QB       ARG  17   5.941  -4.679 -11.901
  169    QG   ARG  17           QG       ARG  17   5.804  -3.972 -14.272
  170    QD   ARG  17           QD       ARG  17   5.482  -6.287 -14.364
  171    QH1  ARG  17           QH2      ARG  17   3.116  -4.301 -16.043
  172    QH2  ARG  17           QH1      ARG  17   0.925  -5.575 -14.054
  173    H    ILE  18           HN       ILE  18   5.449  -1.921  -9.408
  174    HA   ILE  18           HA       ILE  18   8.335  -1.914  -8.642
  175    HB   ILE  18           HB       ILE  18   6.196   0.200  -8.091
  176   1HG1  ILE  18          2HG1      ILE  18   8.563   0.268 -10.002
  177   2HG1  ILE  18          3HG1      ILE  18   6.845   0.324 -10.421
  178   1HG2  ILE  18          1HG2      ILE  18   7.974  -0.136  -6.298
  179   2HG2  ILE  18          2HG2      ILE  18   9.178   0.339  -7.514
  180   3HG2  ILE  18          3HG2      ILE  18   7.904   1.474  -7.001
  181   1HD1  ILE  18          2HD1      ILE  18   6.641   2.472  -9.122
  182   2HD1  ILE  18          3HD1      ILE  18   8.419   2.490  -8.992
  183   3HD1  ILE  18          1HD1      ILE  18   7.646   2.557 -10.582
  184    QG1  ILE  18           QG1      ILE  18   7.704   0.296 -10.211
  185    QG2  ILE  18           QG2      ILE  18   8.352   0.559  -6.937
  186    QD1  ILE  18           QD1      ILE  18   7.569   2.507  -9.565
  187    H    ILE  19           HN       ILE  19   8.515  -3.248  -6.839
  188    HA   ILE  19           HA       ILE  19   6.225  -4.167  -5.383
  189    HB   ILE  19           HB       ILE  19   9.134  -4.137  -4.525
  190   1HG1  ILE  19          2HG1      ILE  19   8.926  -5.256  -6.717
  191   2HG1  ILE  19          3HG1      ILE  19   9.393  -6.353  -5.430
  192   1HG2  ILE  19          3HG2      ILE  19   7.574  -4.611  -2.674
  193   2HG2  ILE  19          1HG2      ILE  19   6.802  -5.890  -3.627
  194   3HG2  ILE  19          2HG2      ILE  19   8.494  -6.058  -3.106
  195   1HD1  ILE  19          1HD1      ILE  19   6.493  -6.144  -6.339
  196   2HD1  ILE  19          2HD1      ILE  19   7.678  -7.200  -7.116
  197   3HD1  ILE  19          3HD1      ILE  19   7.282  -7.437  -5.408
  198    QG1  ILE  19           QG1      ILE  19   9.159  -5.804  -6.073
  199    QG2  ILE  19           QG2      ILE  19   7.623  -5.519  -3.135
  200    QD1  ILE  19           QD1      ILE  19   7.151  -6.927  -6.287
  201    H    ARG  20           HN       ARG  20   5.069  -3.109  -3.880
  202    HA   ARG  20           HA       ARG  20   6.338  -1.094  -2.136
  203   1HB   ARG  20          2HB       ARG  20   3.732  -0.781  -3.708
  204   2HB   ARG  20          3HB       ARG  20   4.104   0.232  -2.313
  205   1HG   ARG  20          2HG       ARG  20   5.869   0.080  -4.781
  206   2HG   ARG  20          3HG       ARG  20   4.588   1.279  -4.547
  207   1HD   ARG  20          2HD       ARG  20   5.661   2.268  -2.658
  208   2HD   ARG  20          3HD       ARG  20   6.788   0.916  -2.513
  209    HE   ARG  20           HE       ARG  20   6.857   2.457  -5.024
  210   1HH1  ARG  20          2HH2      ARG  20   8.354   1.914  -1.870
  211   2HH1  ARG  20          1HH2      ARG  20   9.949   2.376  -2.368
  212   1HH2  ARG  20          2HH1      ARG  20   8.956   3.137  -5.698
  213   2HH2  ARG  20          1HH1      ARG  20  10.274   3.164  -4.577
  214    QB   ARG  20           QB       ARG  20   3.918  -0.274  -3.010
  215    QG   ARG  20           QG       ARG  20   5.228   0.680  -4.664
  216    QD   ARG  20           QD       ARG  20   6.224   1.592  -2.585
  217    QH1  ARG  20           QH2      ARG  20   9.151   2.145  -2.119
  218    QH2  ARG  20           QH1      ARG  20   9.615   3.151  -5.137
  219    H    TYR  21           HN       TYR  21   4.552  -0.609  -0.315
  220    HA   TYR  21           HA       TYR  21   3.413  -3.247   0.383
  221   1HB   TYR  21          2HB       TYR  21   4.492  -1.329   2.428
  222   2HB   TYR  21          3HB       TYR  21   4.037  -2.982   2.673
  223    HD1  TYR  21           HD1      TYR  21   6.592  -1.059   0.610
  224    HD2  TYR  21           HD2      TYR  21   5.799  -4.443   3.164
  225    HE1  TYR  21           HE1      TYR  21   8.822  -1.941   0.113
  226    HE2  TYR  21           HE2      TYR  21   8.156  -5.164   2.882
  227    HH   TYR  21           HH       TYR  21  10.378  -3.563   0.586
  228    QB   TYR  21           QB       TYR  21   4.264  -2.155   2.551
  229    QR   TYR  21           QR       TYR  21   7.342  -3.151   1.692
  230    H    PHE  22           HN       PHE  22   1.748  -2.927   2.217
  231    HA   PHE  22           HA       PHE  22   0.374  -0.384   2.299
  232   1HB   PHE  22          2HB       PHE  22  -1.622  -0.874   1.256
  233   2HB   PHE  22          3HB       PHE  22  -0.422  -1.124   0.063
  234    HD1  PHE  22           HD2      PHE  22   0.415  -3.966   0.455
  235    HD2  PHE  22           HD1      PHE  22  -3.488  -2.162   0.704
  236    HE1  PHE  22           HE2      PHE  22  -0.650  -6.151   0.032
  237    HE2  PHE  22           HE1      PHE  22  -4.538  -4.345   0.500
  238    HZ   PHE  22           HZ       PHE  22  -3.133  -6.341   0.019
  239    QB   PHE  22           QB       PHE  22  -1.022  -0.999   0.660
  240    QR   PHE  22           QR       PHE  22  -2.065  -4.156   0.423
  241    H    TYR  23           HN       TYR  23  -1.264  -0.417   3.968
  242    HA   TYR  23           HA       TYR  23  -1.216  -2.705   5.796
  243   1HB   TYR  23          2HB       TYR  23  -1.680  -0.250   6.404
  244   2HB   TYR  23          3HB       TYR  23  -3.282  -0.486   5.720
  245    HD1  TYR  23           HD2      TYR  23  -4.598  -2.634   6.650
  246    HD2  TYR  23           HD1      TYR  23  -1.300  -0.723   8.669
  247    HE1  TYR  23           HE2      TYR  23  -5.190  -3.803   8.759
  248    HE2  TYR  23           HE1      TYR  23  -2.108  -1.647  10.819
  249    HH   TYR  23           HH       TYR  23  -4.704  -4.036  11.055
  250    QB   TYR  23           QB       TYR  23  -2.481  -0.368   6.062
  251    QR   TYR  23           QR       TYR  23  -3.299  -2.201   8.724
  252    H    ASN  24           HN       ASN  24  -2.324  -4.578   5.318
  253    HA   ASN  24           HA       ASN  24  -4.643  -4.413   3.396
  254   1HB   ASN  24          2HB       ASN  24  -2.935  -5.934   2.715
  255   2HB   ASN  24          3HB       ASN  24  -2.964  -6.808   4.254
  256   1HD2  ASN  24          2HD2      ASN  24  -5.005  -8.892   2.086
  257   2HD2  ASN  24          1HD2      ASN  24  -3.347  -8.622   2.586
  258    QB   ASN  24           QB       ASN  24  -2.950  -6.371   3.485
  259    QD2  ASN  24           QD2      ASN  24  -4.176  -8.757   2.336
  260    H    ALA  25           HN       ALA  25  -6.294  -3.773   4.884
  261    HA   ALA  25           HA       ALA  25  -6.710  -4.938   7.423
  262   1HB   ALA  25          1HB       ALA  25  -7.913  -2.950   6.502
  263   2HB   ALA  25          2HB       ALA  25  -8.790  -4.025   5.396
  264   3HB   ALA  25          3HB       ALA  25  -9.001  -4.204   7.155
  265    QB   ALA  25           QB       ALA  25  -8.568  -3.726   6.351
  266    H    LYS  26           HN       LYS  26  -6.897  -6.505   4.273
  267    HA   LYS  26           HA       LYS  26  -9.010  -8.347   5.222
  268   1HB   LYS  26          2HB       LYS  26  -8.918  -7.411   2.933
  269   2HB   LYS  26          3HB       LYS  26  -7.505  -8.396   2.583
  270   1HG   LYS  26          2HG       LYS  26 -10.025  -9.714   3.658
  271   2HG   LYS  26          3HG       LYS  26 -10.014  -9.096   2.022
  272   1HD   LYS  26          2HD       LYS  26  -7.620 -10.540   2.052
  273   2HD   LYS  26          3HD       LYS  26  -8.597 -11.448   3.196
  274   1HE   LYS  26          2HE       LYS  26  -8.893 -12.421   1.018
  275   2HE   LYS  26          3HE       LYS  26 -10.414 -11.648   1.488
  276   1HZ   LYS  26          1HZ       LYS  26  -8.384 -10.519  -0.343
  277   2HZ   LYS  26          2HZ       LYS  26  -9.826 -11.171  -0.789
  278   3HZ   LYS  26          3HZ       LYS  26  -9.788  -9.776   0.075
  279    QB   LYS  26           QB       LYS  26  -8.212  -7.903   2.758
  280    QG   LYS  26           QG       LYS  26 -10.020  -9.405   2.840
  281    QD   LYS  26           QD       LYS  26  -8.109 -10.994   2.624
  282    QE   LYS  26           QE       LYS  26  -9.654 -12.034   1.253
  283    QZ   LYS  26           QZ       LYS  26  -9.333 -10.488  -0.352
  284    H    ALA  27           HN       ALA  27  -5.662  -8.013   5.617
  285    HA   ALA  27           HA       ALA  27  -5.415 -10.892   6.431
  286   1HB   ALA  27          1HB       ALA  27  -3.835 -10.242   4.668
  287   2HB   ALA  27          2HB       ALA  27  -3.256  -8.891   5.676
  288   3HB   ALA  27          3HB       ALA  27  -3.006 -10.574   6.206
  289    QB   ALA  27           QB       ALA  27  -3.366  -9.902   5.517
  290    H    GLY  28           HN       GLY  28  -4.842  -7.492   7.273
  291   1HA   GLY  28          1HA       GLY  28  -5.278  -6.542   9.350
  292   2HA   GLY  28          2HA       GLY  28  -5.036  -8.092  10.161
  293    QA   GLY  28           QA       GLY  28  -5.157  -7.317   9.756
  294    H    LEU  29           HN       LEU  29  -2.771  -6.673   7.726
  295    HA   LEU  29           HA       LEU  29  -0.946  -5.591   9.652
  296   1HB   LEU  29          2HB       LEU  29   0.866  -7.255   9.387
  297   2HB   LEU  29          3HB       LEU  29  -0.523  -7.888  10.233
  298    HG   LEU  29           HG       LEU  29  -0.987  -8.510   7.476
  299   1HD1  LEU  29          2HD1      LEU  29   1.420  -8.080   7.074
  300   2HD1  LEU  29          3HD1      LEU  29   1.844  -9.226   8.362
  301   3HD1  LEU  29          1HD1      LEU  29   1.024  -9.801   6.895
  302   1HD2  LEU  29          2HD2      LEU  29  -1.669  -9.847   9.469
  303   2HD2  LEU  29          3HD2      LEU  29  -0.821 -10.816   8.252
  304   3HD2  LEU  29          1HD2      LEU  29   0.031 -10.301   9.722
  305    QB   LEU  29           QB       LEU  29   0.171  -7.571   9.810
  306    QD1  LEU  29           QD1      LEU  29   1.429  -9.035   7.444
  307    QD2  LEU  29           QD2      LEU  29  -0.820 -10.321   9.148
  308    QQD  LEU  29           QQD      LEU  29   0.305  -9.678   8.296
  309    H    CYS  30           HN       CYS  30   1.415  -5.459   8.337
  310    HA   CYS  30           HA       CYS  30   0.646  -3.955   5.892
  311   1HB   CYS  30          2HB       CYS  30   3.133  -3.979   7.604
  312   2HB   CYS  30          3HB       CYS  30   2.894  -2.997   6.161
  313    QB   CYS  30           QB       CYS  30   3.013  -3.488   6.883
  314    H    GLN  31           HN       GLN  31   1.083  -4.817   3.924
  315    HA   GLN  31           HA       GLN  31   3.027  -7.097   3.716
  316   1HB   GLN  31          2HB       GLN  31   0.109  -6.953   2.827
  317   2HB   GLN  31          3HB       GLN  31   1.281  -7.983   2.013
  318   1HG   GLN  31          2HG       GLN  31   1.833  -9.014   4.280
  319   2HG   GLN  31          3HG       GLN  31   0.373  -8.207   4.883
  320   1HE2  GLN  31          2HE2      GLN  31  -1.639 -10.837   3.592
  321   2HE2  GLN  31          1HE2      GLN  31  -1.433  -9.558   4.782
  322    QB   GLN  31           QB       GLN  31   0.695  -7.468   2.420
  323    QG   GLN  31           QG       GLN  31   1.103  -8.610   4.582
  324    QE2  GLN  31           QE2      GLN  31  -1.536 -10.197   4.187
  325    H    THR  32           HN       THR  32   3.549  -7.583   1.461
  326    HA   THR  32           HA       THR  32   4.231  -5.180  -0.011
  327    HB   THR  32           HB       THR  32   5.344  -6.981  -1.424
  328    HG1  THR  32          1HG       THR  32   3.903  -8.672  -0.571
  329   1HG2  THR  32          2HG2      THR  32   6.048  -6.865   1.542
  330   2HG2  THR  32          3HG2      THR  32   7.111  -7.447   0.244
  331   3HG2  THR  32          1HG2      THR  32   6.604  -5.746   0.269
  332    QG2  THR  32           QG2      THR  32   6.588  -6.686   0.685
  333    H    PHE  33           HN       PHE  33   3.697  -4.963  -2.333
  334    HA   PHE  33           HA       PHE  33   2.178  -6.958  -3.706
  335   1HB   PHE  33          2HB       PHE  33   0.173  -5.795  -4.136
  336   2HB   PHE  33          3HB       PHE  33   0.356  -5.712  -2.399
  337    HD1  PHE  33           HD2      PHE  33   1.673  -3.496  -1.525
  338    HD2  PHE  33           HD1      PHE  33  -0.347  -3.850  -5.317
  339    HE1  PHE  33           HE2      PHE  33   1.606  -1.020  -1.748
  340    HE2  PHE  33           HE1      PHE  33  -0.340  -1.394  -5.551
  341    HZ   PHE  33           HZ       PHE  33   0.563   0.030  -3.709
  342    QB   PHE  33           QB       PHE  33   0.264  -5.753  -3.267
  343    QR   PHE  33           QR       PHE  33   0.648  -2.440  -3.535
  344    H    VAL  34           HN       VAL  34   1.743  -6.035  -6.046
  345    HA   VAL  34           HA       VAL  34   4.111  -4.461  -6.914
  346    HB   VAL  34           HB       VAL  34   1.913  -5.889  -8.472
  347   1HG1  VAL  34          2HG1      VAL  34   4.364  -4.331  -9.433
  348   2HG1  VAL  34          3HG1      VAL  34   3.352  -5.381 -10.456
  349   3HG1  VAL  34          1HG1      VAL  34   2.672  -3.921  -9.755
  350   1HG2  VAL  34          2HG2      VAL  34   3.555  -7.411  -7.358
  351   2HG2  VAL  34          3HG2      VAL  34   3.681  -7.448  -9.122
  352   3HG2  VAL  34          1HG2      VAL  34   4.878  -6.545  -8.170
  353    QG1  VAL  34           QG1      VAL  34   3.463  -4.544  -9.881
  354    QG2  VAL  34           QG2      VAL  34   4.038  -7.134  -8.216
  355    QQG  VAL  34           QQG      VAL  34   3.750  -5.839  -9.049
  356    H    TYR  35           HN       TYR  35   3.918  -2.338  -7.314
  357    HA   TYR  35           HA       TYR  35   1.249  -1.064  -7.668
  358   1HB   TYR  35          2HB       TYR  35   2.395  -0.383  -5.596
  359   2HB   TYR  35          3HB       TYR  35   3.905  -0.161  -6.473
  360    HD1  TYR  35           HD1      TYR  35   0.351   1.097  -6.531
  361    HD2  TYR  35           HD2      TYR  35   4.557   2.018  -6.955
  362    HE1  TYR  35           HE1      TYR  35  -0.198   3.474  -6.929
  363    HE2  TYR  35           HE2      TYR  35   3.951   4.427  -7.277
  364    HH   TYR  35           HH       TYR  35   0.626   5.301  -8.119
  365    QB   TYR  35           QB       TYR  35   3.150  -0.272  -6.034
  366    QR   TYR  35           QR       TYR  35   2.165   2.754  -6.923
  367    H    GLY  36           HN       GLY  36   1.172   0.517  -9.333
  368   1HA   GLY  36          1HA       GLY  36   2.641  -0.112 -11.676
  369   2HA   GLY  36          2HA       GLY  36   1.527   1.235 -11.469
  370    QA   GLY  36           QA       GLY  36   2.084   0.562 -11.572
  371    H    GLY  37           HN       GLY  37   2.316   3.143 -10.323
  372   1HA   GLY  37          1HA       GLY  37   4.696   4.055  -9.530
  373   2HA   GLY  37          2HA       GLY  37   5.068   3.824 -11.237
  374    QA   GLY  37           QA       GLY  37   4.882   3.940 -10.383
  375    H    CYS  38           HN       CYS  38   1.913   4.976  -9.937
  376    HA   CYS  38           HA       CYS  38   2.376   7.666 -10.078
  377   1HB   CYS  38          2HB       CYS  38   1.128   8.401 -12.034
  378   2HB   CYS  38          3HB       CYS  38   2.606   7.601 -12.506
  379    QB   CYS  38           QB       CYS  38   1.867   8.001 -12.270
  380    H    ARG  39           HN       ARG  39   0.442   8.865  -9.586
  381    HA   ARG  39           HA       ARG  39  -1.328   9.119  -8.207
  382   1HB   ARG  39          2HB       ARG  39  -2.441   7.253 -10.321
  383   2HB   ARG  39          3HB       ARG  39  -3.411   7.640  -8.905
  384   1HG   ARG  39          2HG       ARG  39  -4.099   9.220 -10.436
  385   2HG   ARG  39          3HG       ARG  39  -3.068  10.067  -9.302
  386   1HD   ARG  39          2HD       ARG  39  -2.118  10.952 -11.123
  387   2HD   ARG  39          3HD       ARG  39  -1.223   9.426 -11.257
  388    HE   ARG  39           HE       ARG  39  -3.704   9.093 -12.569
  389   1HH1  ARG  39          2HH2      ARG  39  -0.733  10.950 -12.927
  390   2HH1  ARG  39          1HH2      ARG  39  -0.911  11.238 -14.628
  391   1HH2  ARG  39          2HH1      ARG  39  -4.021   9.507 -14.838
  392   2HH2  ARG  39          1HH1      ARG  39  -2.825  10.378 -15.737
  393    QB   ARG  39           QB       ARG  39  -2.926   7.447  -9.613
  394    QG   ARG  39           QG       ARG  39  -3.584   9.644  -9.869
  395    QD   ARG  39           QD       ARG  39  -1.671  10.189 -11.190
  396    QH1  ARG  39           QH2      ARG  39  -0.822  11.094 -13.777
  397    QH2  ARG  39           QH1      ARG  39  -3.423   9.943 -15.287
  398    H    ALA  40           HN       ALA  40   0.535   7.869  -6.907
  399    HA   ALA  40           HA       ALA  40  -0.225   5.393  -5.684
  400   1HB   ALA  40          1HB       ALA  40   2.087   6.335  -5.617
  401   2HB   ALA  40          2HB       ALA  40   1.504   7.598  -4.516
  402   3HB   ALA  40          3HB       ALA  40   1.438   5.888  -4.031
  403    QB   ALA  40           QB       ALA  40   1.676   6.607  -4.721
  404    H    LYS  41           HN       LYS  41  -1.630   5.038  -3.964
  405    HA   LYS  41           HA       LYS  41  -3.339   7.303  -3.122
  406   1HB   LYS  41          2HB       LYS  41  -3.507   4.303  -2.615
  407   2HB   LYS  41          3HB       LYS  41  -4.746   5.484  -2.179
  408   1HG   LYS  41          2HG       LYS  41  -3.874   4.876  -5.035
  409   2HG   LYS  41          3HG       LYS  41  -5.289   4.238  -4.185
  410   1HD   LYS  41          2HD       LYS  41  -5.554   6.993  -3.809
  411   2HD   LYS  41          3HD       LYS  41  -4.874   6.878  -5.445
  412   1HE   LYS  41          2HE       LYS  41  -6.723   5.201  -5.980
  413   2HE   LYS  41          3HE       LYS  41  -7.344   5.443  -4.331
  414   1HZ   LYS  41          3HZ       LYS  41  -7.676   7.771  -4.897
  415   2HZ   LYS  41          1HZ       LYS  41  -7.214   7.480  -6.455
  416   3HZ   LYS  41          2HZ       LYS  41  -8.563   6.764  -5.843
  417    QB   LYS  41           QB       LYS  41  -4.127   4.894  -2.397
  418    QG   LYS  41           QG       LYS  41  -4.582   4.557  -4.610
  419    QD   LYS  41           QD       LYS  41  -5.214   6.936  -4.627
  420    QE   LYS  41           QE       LYS  41  -7.034   5.322  -5.155
  421    QZ   LYS  41           QZ       LYS  41  -7.818   7.339  -5.731
  422    H    ARG  42           HN       ARG  42  -4.117   6.719  -0.645
  423    HA   ARG  42           HA       ARG  42  -1.834   7.297   1.074
  424   1HB   ARG  42          2HB       ARG  42  -4.767   6.679   1.529
  425   2HB   ARG  42          3HB       ARG  42  -3.623   6.886   2.868
  426   1HG   ARG  42          2HG       ARG  42  -3.054   9.129   2.143
  427   2HG   ARG  42          3HG       ARG  42  -4.097   8.999   0.715
  428   1HD   ARG  42          2HD       ARG  42  -5.079   8.718   3.590
  429   2HD   ARG  42          3HD       ARG  42  -5.085  10.250   2.751
  430    HE   ARG  42           HE       ARG  42  -6.786   7.863   2.236
  431   1HH1  ARG  42          2HH2      ARG  42  -5.801  11.011   1.009
  432   2HH1  ARG  42          1HH2      ARG  42  -7.261  11.303   0.115
  433   1HH2  ARG  42          2HH1      ARG  42  -8.731   8.200   1.093
  434   2HH2  ARG  42          1HH1      ARG  42  -8.965   9.631   0.143
  435    QB   ARG  42           QB       ARG  42  -4.195   6.783   2.199
  436    QG   ARG  42           QG       ARG  42  -3.576   9.064   1.429
  437    QD   ARG  42           QD       ARG  42  -5.082   9.484   3.171
  438    QH1  ARG  42           QH2      ARG  42  -6.531  11.157   0.562
  439    QH2  ARG  42           QH1      ARG  42  -8.848   8.916   0.618
  440    H    ASN  43           HN       ASN  43  -3.750   4.433   0.230
  441    HA   ASN  43           HA       ASN  43  -2.540   2.714   2.238
  442   1HB   ASN  43          2HB       ASN  43  -4.730   2.355   1.723
  443   2HB   ASN  43          3HB       ASN  43  -4.531   2.412  -0.018
  444   1HD2  ASN  43          2HD2      ASN  43  -3.916  -1.022   2.235
  445   2HD2  ASN  43          1HD2      ASN  43  -3.661   0.584   2.813
  446    QB   ASN  43           QB       ASN  43  -4.631   2.384   0.853
  447    QD2  ASN  43           QD2      ASN  43  -3.789  -0.219   2.524
  448    H    ASN  44           HN       ASN  44  -0.349   3.658   1.294
  449    HA   ASN  44           HA       ASN  44   0.949   1.593  -0.380
  450   1HB   ASN  44          2HB       ASN  44  -0.052   4.156  -1.417
  451   2HB   ASN  44          3HB       ASN  44   1.697   4.064  -1.572
  452   1HD2  ASN  44          2HD2      ASN  44   1.569   2.019  -4.392
  453   2HD2  ASN  44          1HD2      ASN  44   2.552   2.976  -3.310
  454    QB   ASN  44           QB       ASN  44   0.822   4.110  -1.494
  455    QD2  ASN  44           QD2      ASN  44   2.060   2.498  -3.851
  456    H    PHE  45           HN       PHE  45   2.745   1.229   0.972
  457    HA   PHE  45           HA       PHE  45   4.202   3.615   2.019
  458   1HB   PHE  45          2HB       PHE  45   3.849   0.913   3.341
  459   2HB   PHE  45          3HB       PHE  45   4.682   2.312   4.010
  460    HD1  PHE  45           HD2      PHE  45   3.346   4.506   4.339
  461    HD2  PHE  45           HD1      PHE  45   1.518   0.654   3.771
  462    HE1  PHE  45           HE2      PHE  45   1.191   5.408   5.103
  463    HE2  PHE  45           HE1      PHE  45  -0.619   1.528   4.714
  464    HZ   PHE  45           HZ       PHE  45  -0.753   3.876   5.477
  465    QB   PHE  45           QB       PHE  45   4.265   1.613   3.676
  466    QR   PHE  45           QR       PHE  45   1.359   3.024   4.482
  467    H    LYS  46           HN       LYS  46   6.402   3.058   2.657
  468    HA   LYS  46           HA       LYS  46   7.757   1.799   0.359
  469   1HB   LYS  46          2HB       LYS  46   8.879   3.480   2.632
  470   2HB   LYS  46          3HB       LYS  46   9.675   3.048   1.098
  471   1HG   LYS  46          2HG       LYS  46   7.332   4.091   0.186
  472   2HG   LYS  46          3HG       LYS  46   7.479   5.057   1.638
  473   1HD   LYS  46          2HD       LYS  46   9.745   4.815  -0.428
  474   2HD   LYS  46          3HD       LYS  46   8.437   5.984  -0.570
  475   1HE   LYS  46          2HE       LYS  46  10.287   7.122   0.448
  476   2HE   LYS  46          3HE       LYS  46   8.983   6.963   1.630
  477   1HZ   LYS  46          2HZ       LYS  46  10.197   5.048   2.534
  478   2HZ   LYS  46          3HZ       LYS  46  11.449   5.352   1.506
  479   3HZ   LYS  46          1HZ       LYS  46  11.034   6.454   2.652
  480    QB   LYS  46           QB       LYS  46   9.277   3.264   1.865
  481    QG   LYS  46           QG       LYS  46   7.405   4.574   0.912
  482    QD   LYS  46           QD       LYS  46   9.091   5.400  -0.499
  483    QE   LYS  46           QE       LYS  46   9.635   7.043   1.039
  484    QZ   LYS  46           QZ       LYS  46  10.893   5.618   2.231
  485    H    SER  47           HN       SER  47   7.076   1.125   3.670
  486    HA   SER  47           HA       SER  47   8.249  -1.494   3.380
  487   1HB   SER  47          2HB       SER  47   9.792  -1.476   5.183
  488   2HB   SER  47          3HB       SER  47  10.242  -0.115   4.152
  489    HG   SER  47           HG       SER  47   9.949   0.129   6.597
  490    QB   SER  47           QB       SER  47  10.017  -0.795   4.668
  491    H    ALA  48           HN       ALA  48   7.759  -2.855   5.337
  492    HA   ALA  48           HA       ALA  48   5.101  -2.406   6.266
  493   1HB   ALA  48          3HB       ALA  48   6.008  -4.676   6.088
  494   2HB   ALA  48          1HB       ALA  48   7.194  -4.317   7.371
  495   3HB   ALA  48          2HB       ALA  48   5.461  -4.331   7.732
  496    QB   ALA  48           QB       ALA  48   6.221  -4.441   7.064
  497    H    GLU  49           HN       GLU  49   8.327  -1.736   7.695
  498    HA   GLU  49           HA       GLU  49   7.541  -0.936  10.270
  499   1HB   GLU  49          2HB       GLU  49   9.949  -0.972   9.480
  500   2HB   GLU  49          3HB       GLU  49   9.620   0.485   8.521
  501   1HG   GLU  49          2HG       GLU  49   8.811   1.567  10.747
  502   2HG   GLU  49          3HG       GLU  49   9.552   0.170  11.505
  503    QB   GLU  49           QB       GLU  49   9.784  -0.243   9.001
  504    QG   GLU  49           QG       GLU  49   9.181   0.869  11.126
  505    H    ASP  50           HN       ASP  50   7.869   1.052   7.341
  506    HA   ASP  50           HA       ASP  50   7.011   3.453   8.533
  507   1HB   ASP  50          2HB       ASP  50   8.351   3.154   6.409
  508   2HB   ASP  50          3HB       ASP  50   6.844   2.732   5.577
  509    QB   ASP  50           QB       ASP  50   7.597   2.943   5.993
  510    H    CYS  51           HN       CYS  51   5.221   1.115   6.595
  511    HA   CYS  51           HA       CYS  51   2.595   2.161   6.752
  512   1HB   CYS  51          2HB       CYS  51   3.193   0.235   5.411
  513   2HB   CYS  51          3HB       CYS  51   3.674  -0.671   6.816
  514    QB   CYS  51           QB       CYS  51   3.433  -0.218   6.114
  515    H    MET  52           HN       MET  52   4.285   0.034   9.117
  516    HA   MET  52           HA       MET  52   2.150  -0.028  10.959
  517   1HB   MET  52          2HB       MET  52   4.655  -1.232  10.837
  518   2HB   MET  52          3HB       MET  52   4.870  -0.138  12.183
  519   1HG   MET  52          2HG       MET  52   4.079  -2.287  12.987
  520   2HG   MET  52          3HG       MET  52   2.844  -1.064  13.262
  521   1HE   MET  52          2HE       MET  52   3.945  -4.222  11.262
  522   2HE   MET  52          3HE       MET  52   2.606  -4.451  10.113
  523   3HE   MET  52          1HE       MET  52   3.728  -3.085   9.910
  524    QB   MET  52           QB       MET  52   4.762  -0.685  11.510
  525    QG   MET  52           QG       MET  52   3.461  -1.675  13.125
  526    QE   MET  52           QE       MET  52   3.426  -3.919  10.429
  527    H    ARG  53           HN       ARG  53   5.020   2.109  10.948
  528    HA   ARG  53           HA       ARG  53   4.298   3.699  13.183
  529   1HB   ARG  53          2HB       ARG  53   5.959   4.194  10.710
  530   2HB   ARG  53          3HB       ARG  53   5.566   5.551  11.787
  531   1HG   ARG  53          2HG       ARG  53   6.441   4.293  13.719
  532   2HG   ARG  53          3HG       ARG  53   6.957   2.976  12.657
  533   1HD   ARG  53          2HD       ARG  53   7.954   5.892  12.496
  534   2HD   ARG  53          3HD       ARG  53   8.738   4.594  13.379
  535    HE   ARG  53           HE       ARG  53   9.608   3.667  11.483
  536   1HH1  ARG  53          2HH2      ARG  53   7.239   6.121  10.360
  537   2HH1  ARG  53          1HH2      ARG  53   7.710   5.870   8.682
  538   1HH2  ARG  53          2HH1      ARG  53  10.300   3.628   9.471
  539   2HH2  ARG  53          1HH1      ARG  53   9.480   4.522   8.165
  540    QB   ARG  53           QB       ARG  53   5.762   4.873  11.249
  541    QG   ARG  53           QG       ARG  53   6.699   3.635  13.188
  542    QD   ARG  53           QD       ARG  53   8.346   5.243  12.938
  543    QH1  ARG  53           QH2      ARG  53   7.474   5.996   9.521
  544    QH2  ARG  53           QH1      ARG  53   9.890   4.075   8.818
  545    H    THR  54           HN       THR  54   3.215   3.919   9.788
  546    HA   THR  54           HA       THR  54   1.737   6.350  10.244
  547    HB   THR  54           HB       THR  54   1.530   4.296   7.999
  548    HG1  THR  54          1HG       THR  54   3.555   5.163   8.094
  549   1HG2  THR  54          3HG2      THR  54   0.302   7.030   8.467
  550   2HG2  THR  54          1HG2      THR  54   0.756   6.555   6.836
  551   3HG2  THR  54          2HG2      THR  54  -0.416   5.577   7.737
  552    QG2  THR  54           QG2      THR  54   0.214   6.388   7.680
  553    H    CYS  55           HN       CYS  55   0.703   2.896  10.115
  554    HA   CYS  55           HA       CYS  55  -2.021   3.732  11.065
  555   1HB   CYS  55          2HB       CYS  55  -1.513   3.459   8.469
  556   2HB   CYS  55          3HB       CYS  55  -1.748   1.745   8.817
  557    QB   CYS  55           QB       CYS  55  -1.631   2.602   8.643
  558    H    GLY  56           HN       GLY  56   0.398   2.001  12.176
  559   1HA   GLY  56          1HA       GLY  56  -0.600  -0.694  12.185
  560   2HA   GLY  56          2HA       GLY  56   0.781  -0.042  13.058
  561    QA   GLY  56           QA       GLY  56   0.090  -0.368  12.622
  562    H    GLY  57           HN       GLY  57  -2.764   0.539  13.217
  563   1HA   GLY  57          1HA       GLY  57  -4.250   0.195  14.967
  564   2HA   GLY  57          2HA       GLY  57  -3.014  -0.736  15.822
  565    QA   GLY  57           QA       GLY  57  -3.632  -0.270  15.395
  566    H    ALA  58           HN       ALA  58  -1.585   0.355  17.323
  567    HA   ALA  58           HA       ALA  58  -1.382   3.122  17.680
  568   1HB   ALA  58          1HB       ALA  58  -3.713   2.908  18.638
  569   2HB   ALA  58          2HB       ALA  58  -3.102   1.655  19.746
  570   3HB   ALA  58          3HB       ALA  58  -2.497   3.320  19.861
  571    QB   ALA  58           QB       ALA  58  -3.104   2.628  19.415
   
  No H/Q in entry =         571
  Start of MODEL    2
    1    H    ARG   1           HN       ARG   1  -6.848   5.332  14.799
    2    HA   ARG   1           HA       ARG   1  -5.604   4.294  13.088
    3   1HB   ARG   1          2HB       ARG   1  -6.467   2.300  11.905
    4   2HB   ARG   1          3HB       ARG   1  -6.051   1.989  13.590
    5   1HG   ARG   1          2HG       ARG   1  -8.130   1.233  14.043
    6   2HG   ARG   1          3HG       ARG   1  -8.883   2.695  13.434
    7   1HD   ARG   1          2HD       ARG   1  -9.797   0.979  12.237
    8   2HD   ARG   1          3HD       ARG   1  -8.735   1.795  11.096
    9    HE   ARG   1           HE       ARG   1  -7.026  -0.067  11.774
   10   1HH1  ARG   1          2HH2      ARG   1 -10.513  -0.587  11.370
   11   2HH1  ARG   1          1HH2      ARG   1 -10.369  -2.276  11.033
   12   1HH2  ARG   1          2HH1      ARG   1  -6.820  -2.346  11.144
   13   2HH2  ARG   1          1HH1      ARG   1  -8.262  -3.249  10.879
   14    QB   ARG   1           QB       ARG   1  -6.259   2.145  12.747
   15    QG   ARG   1           QG       ARG   1  -8.507   1.964  13.738
   16    QD   ARG   1           QD       ARG   1  -9.266   1.387  11.666
   17    QH1  ARG   1           QH2      ARG   1 -10.441  -1.432  11.202
   18    QH2  ARG   1           QH1      ARG   1  -7.541  -2.798  11.012
   19    HA   PRO   2           HA       PRO   2  -8.491   6.436  10.333
   20   1HB   PRO   2          2HB       PRO   2  -7.001   6.676   8.077
   21   2HB   PRO   2          3HB       PRO   2  -6.734   7.631   9.530
   22   1HG   PRO   2          2HG       PRO   2  -5.204   5.224   8.549
   23   2HG   PRO   2          3HG       PRO   2  -4.559   6.662   9.379
   24   1HD   PRO   2          2HD       PRO   2  -5.109   4.213  10.636
   25   2HD   PRO   2          3HD       PRO   2  -4.979   5.789  11.457
   26    QB   PRO   2           QB       PRO   2  -6.868   7.153   8.803
   27    QG   PRO   2           QG       PRO   2  -4.881   5.943   8.964
   28    QD   PRO   2           QD       PRO   2  -5.044   5.001  11.047
   29    H    ASP   3           HN       ASP   3 -10.010   5.811   8.997
   30    HA   ASP   3           HA       ASP   3 -10.558   3.306   8.067
   31   1HB   ASP   3          2HB       ASP   3 -11.267   5.940   6.663
   32   2HB   ASP   3          3HB       ASP   3 -12.015   4.378   6.366
   33    QB   ASP   3           QB       ASP   3 -11.641   5.159   6.515
   34    H    PHE   4           HN       PHE   4  -8.361   5.640   6.502
   35    HA   PHE   4           HA       PHE   4  -8.521   4.366   3.956
   36   1HB   PHE   4          2HB       PHE   4  -6.720   5.690   3.216
   37   2HB   PHE   4          3HB       PHE   4  -7.721   6.692   4.232
   38    HD1  PHE   4          1HD       PHE   4  -4.613   4.636   4.016
   39    HD2  PHE   4          2HD       PHE   4  -6.569   7.955   5.944
   40    HE1  PHE   4          1HE       PHE   4  -2.701   4.843   5.584
   41    HE2  PHE   4          2HE       PHE   4  -4.583   8.282   7.384
   42    HZ   PHE   4           HZ       PHE   4  -2.820   6.574   7.417
   43    QB   PHE   4           QB       PHE   4  -7.221   6.191   3.724
   44    QR   PHE   4           QR       PHE   4  -4.617   6.429   5.732
   45    H    CYS   5           HN       CYS   5  -6.887   3.343   6.905
   46    HA   CYS   5           HA       CYS   5  -4.849   1.731   5.694
   47   1HB   CYS   5          2HB       CYS   5  -6.493   1.162   8.187
   48   2HB   CYS   5          3HB       CYS   5  -5.056   0.302   7.667
   49    QB   CYS   5           QB       CYS   5  -5.775   0.732   7.927
   50    H    LEU   6           HN       LEU   6  -8.354   1.463   5.675
   51    HA   LEU   6           HA       LEU   6  -8.296  -1.421   5.041
   52   1HB   LEU   6          2HB       LEU   6 -10.609   0.507   5.454
   53   2HB   LEU   6          3HB       LEU   6 -10.712  -1.234   5.237
   54    HG   LEU   6           HG       LEU   6  -8.804  -0.853   7.335
   55   1HD1  LEU   6          2HD1      LEU   6 -11.179   0.976   7.745
   56   2HD1  LEU   6          3HD1      LEU   6 -10.148   0.348   9.047
   57   3HD1  LEU   6          1HD1      LEU   6  -9.439   1.371   7.809
   58   1HD2  LEU   6          1HD2      LEU   6 -10.496  -2.691   7.001
   59   2HD2  LEU   6          2HD2      LEU   6 -10.317  -2.101   8.655
   60   3HD2  LEU   6          3HD2      LEU   6 -11.714  -1.596   7.670
   61    QB   LEU   6           QB       LEU   6 -10.660  -0.364   5.346
   62    QD1  LEU   6           QD1      LEU   6 -10.255   0.898   8.200
   63    QD2  LEU   6           QD2      LEU   6 -10.842  -2.129   7.775
   64    QQD  LEU   6           QQD      LEU   6 -10.549  -0.615   7.988
   65    H    GLU   7           HN       GLU   7  -7.701   1.312   3.165
   66    HA   GLU   7           HA       GLU   7  -9.544   0.749   1.046
   67   1HB   GLU   7          2HB       GLU   7  -8.483   2.508  -0.104
   68   2HB   GLU   7          3HB       GLU   7  -8.560   2.988   1.592
   69   1HG   GLU   7          2HG       GLU   7  -6.079   2.193   1.625
   70   2HG   GLU   7          3HG       GLU   7  -6.241   2.084  -0.129
   71    QB   GLU   7           QB       GLU   7  -8.521   2.748   0.744
   72    QG   GLU   7           QG       GLU   7  -6.160   2.139   0.748
   73    HA   PRO   8           HA       PRO   8  -7.337  -2.513  -0.926
   74   1HB   PRO   8          2HB       PRO   8  -8.201  -2.379  -3.536
   75   2HB   PRO   8          3HB       PRO   8  -9.287  -2.791  -2.178
   76   1HG   PRO   8          2HG       PRO   8  -8.828  -0.042  -3.392
   77   2HG   PRO   8          3HG       PRO   8 -10.396  -0.881  -3.194
   78   1HD   PRO   8          2HD       PRO   8  -9.569   0.888  -1.340
   79   2HD   PRO   8          3HD       PRO   8 -10.279  -0.660  -0.799
   80    QB   PRO   8           QB       PRO   8  -8.744  -2.585  -2.857
   81    QG   PRO   8           QG       PRO   8  -9.612  -0.462  -3.293
   82    QD   PRO   8           QD       PRO   8  -9.924   0.114  -1.070
   83    HA   PRO   9           HA       PRO   9  -3.625  -0.909  -2.690
   84   1HB   PRO   9          2HB       PRO   9  -2.576  -3.008  -4.053
   85   2HB   PRO   9          3HB       PRO   9  -2.767  -2.997  -2.271
   86   1HG   PRO   9          2HG       PRO   9  -4.602  -4.224  -4.368
   87   2HG   PRO   9          3HG       PRO   9  -3.975  -5.002  -2.888
   88   1HD   PRO   9          2HD       PRO   9  -6.456  -3.850  -3.007
   89   2HD   PRO   9          3HD       PRO   9  -5.475  -3.779  -1.526
   90    QB   PRO   9           QB       PRO   9  -2.671  -3.003  -3.162
   91    QG   PRO   9           QG       PRO   9  -4.289  -4.613  -3.628
   92    QD   PRO   9           QD       PRO   9  -5.966  -3.814  -2.267
   93    H    TYR  10           HN       TYR  10  -3.665   0.664  -4.194
   94    HA   TYR  10           HA       TYR  10  -5.116   0.249  -6.743
   95   1HB   TYR  10          2HB       TYR  10  -5.673   2.041  -5.072
   96   2HB   TYR  10          3HB       TYR  10  -4.135   2.801  -5.443
   97    HD1  TYR  10           HD1      TYR  10  -7.543   2.042  -6.626
   98    HD2  TYR  10           HD2      TYR  10  -3.794   3.903  -7.666
   99    HE1  TYR  10           HE1      TYR  10  -8.658   3.252  -8.469
  100    HE2  TYR  10           HE2      TYR  10  -4.927   5.169  -9.464
  101    HH   TYR  10           HH       TYR  10  -8.374   4.685 -10.261
  102    QB   TYR  10           QB       TYR  10  -4.904   2.421  -5.258
  103    QR   TYR  10           QR       TYR  10  -6.230   3.591  -8.056
  104    H    THR  11           HN       THR  11  -3.540  -0.804  -8.062
  105    HA   THR  11           HA       THR  11  -0.850  -0.035  -8.237
  106    HB   THR  11           HB       THR  11  -2.702  -1.590 -10.037
  107    HG1  THR  11          1HG       THR  11  -1.120  -3.160  -9.390
  108   1HG2  THR  11          3HG2      THR  11  -1.114  -0.475 -11.662
  109   2HG2  THR  11          1HG2      THR  11   0.224  -1.185 -10.729
  110   3HG2  THR  11          2HG2      THR  11  -0.942  -2.225 -11.540
  111    QG2  THR  11           QG2      THR  11  -0.610  -1.295 -11.311
  112    H    GLY  12           HN       GLY  12  -3.638   1.305  -9.885
  113   1HA   GLY  12          1HA       GLY  12  -3.861   3.385 -10.821
  114   2HA   GLY  12          2HA       GLY  12  -2.127   3.710 -10.637
  115    QA   GLY  12           QA       GLY  12  -2.994   3.547 -10.729
  116    HA   PRO  13           HA       PRO  13  -3.294   2.182 -15.018
  117   1HB   PRO  13          2HB       PRO  13  -3.844   4.430 -16.435
  118   2HB   PRO  13          3HB       PRO  13  -5.049   3.683 -15.356
  119   1HG   PRO  13          2HG       PRO  13  -3.168   5.976 -14.678
  120   2HG   PRO  13          3HG       PRO  13  -4.953   5.947 -14.517
  121   1HD   PRO  13          2HD       PRO  13  -3.315   5.342 -12.400
  122   2HD   PRO  13          3HD       PRO  13  -4.834   4.434 -12.677
  123    QB   PRO  13           QB       PRO  13  -4.446   4.057 -15.895
  124    QG   PRO  13           QG       PRO  13  -4.060   5.961 -14.597
  125    QD   PRO  13           QD       PRO  13  -4.075   4.888 -12.539
  126    H    CYS  14           HN       CYS  14  -0.912   1.920 -14.203
  127    HA   CYS  14           HA       CYS  14   0.822   3.253 -16.211
  128   1HB   CYS  14          2HB       CYS  14   1.218   3.285 -13.217
  129   2HB   CYS  14          3HB       CYS  14   2.601   2.934 -14.276
  130    QB   CYS  14           QB       CYS  14   1.909   3.109 -13.747
  131    H    LYS  15           HN       LYS  15   2.372   1.945 -17.052
  132    HA   LYS  15           HA       LYS  15   2.013  -0.979 -16.580
  133   1HB   LYS  15          2HB       LYS  15   3.283   0.515 -18.912
  134   2HB   LYS  15          3HB       LYS  15   3.119  -1.229 -18.732
  135   1HG   LYS  15          2HG       LYS  15   1.224  -0.963 -19.941
  136   2HG   LYS  15          3HG       LYS  15   0.545  -0.655 -18.364
  137   1HD   LYS  15          2HD       LYS  15  -0.321   1.023 -19.831
  138   2HD   LYS  15          3HD       LYS  15   0.783   1.814 -18.727
  139   1HE   LYS  15          2HE       LYS  15   1.067   2.704 -20.980
  140   2HE   LYS  15          3HE       LYS  15   2.546   1.889 -20.473
  141   1HZ   LYS  15          2HZ       LYS  15   1.735  -0.054 -21.746
  142   2HZ   LYS  15          3HZ       LYS  15   0.511   0.880 -22.338
  143   3HZ   LYS  15          1HZ       LYS  15   2.077   1.258 -22.665
  144    QB   LYS  15           QB       LYS  15   3.201  -0.357 -18.822
  145    QG   LYS  15           QG       LYS  15   0.885  -0.809 -19.152
  146    QD   LYS  15           QD       LYS  15   0.231   1.418 -19.279
  147    QE   LYS  15           QE       LYS  15   1.806   2.296 -20.727
  148    QZ   LYS  15           QZ       LYS  15   1.441   0.695 -22.249
  149    H    ALA  16           HN       ALA  16   3.187  -0.725 -14.531
  150    HA   ALA  16           HA       ALA  16   5.995  -1.351 -14.843
  151   1HB   ALA  16          1HB       ALA  16   5.083   1.196 -13.448
  152   2HB   ALA  16          2HB       ALA  16   6.645   0.414 -13.093
  153   3HB   ALA  16          3HB       ALA  16   6.299   1.035 -14.718
  154    QB   ALA  16           QB       ALA  16   6.009   0.882 -13.753
  155    H    ARG  17           HN       ARG  17   6.791  -1.870 -12.413
  156    HA   ARG  17           HA       ARG  17   4.562  -3.033 -10.894
  157   1HB   ARG  17          2HB       ARG  17   6.891  -4.634 -11.816
  158   2HB   ARG  17          3HB       ARG  17   5.485  -5.253 -11.037
  159   1HG   ARG  17          2HG       ARG  17   4.125  -4.908 -13.019
  160   2HG   ARG  17          3HG       ARG  17   5.451  -4.121 -13.881
  161   1HD   ARG  17          2HD       ARG  17   6.136  -6.847 -12.854
  162   2HD   ARG  17          3HD       ARG  17   4.841  -6.787 -14.031
  163    HE   ARG  17           HE       ARG  17   6.207  -6.166 -15.706
  164   1HH1  ARG  17          2HH2      ARG  17   8.074  -5.937 -12.715
  165   2HH1  ARG  17          1HH2      ARG  17   9.581  -5.589 -13.499
  166   1HH2  ARG  17          2HH1      ARG  17   8.190  -5.733 -16.772
  167   2HH2  ARG  17          1HH1      ARG  17   9.644  -5.501 -15.862
  168    QB   ARG  17           QB       ARG  17   6.188  -4.943 -11.427
  169    QG   ARG  17           QG       ARG  17   4.788  -4.514 -13.450
  170    QD   ARG  17           QD       ARG  17   5.488  -6.817 -13.443
  171    QH1  ARG  17           QH2      ARG  17   8.827  -5.763 -13.107
  172    QH2  ARG  17           QH1      ARG  17   8.917  -5.617 -16.317
  173    H    ILE  18           HN       ILE  18   5.627  -1.112  -9.747
  174    HA   ILE  18           HA       ILE  18   8.233  -1.501  -8.483
  175    HB   ILE  18           HB       ILE  18   6.031   0.523  -7.907
  176   1HG1  ILE  18          2HG1      ILE  18   8.472   0.721  -9.713
  177   2HG1  ILE  18          3HG1      ILE  18   6.803   0.578 -10.266
  178   1HG2  ILE  18          1HG2      ILE  18   7.776   0.216  -6.090
  179   2HG2  ILE  18          2HG2      ILE  18   9.024   0.606  -7.283
  180   3HG2  ILE  18          3HG2      ILE  18   7.806   1.818  -6.824
  181   1HD1  ILE  18          1HD1      ILE  18   6.243   2.725  -9.118
  182   2HD1  ILE  18          2HD1      ILE  18   7.992   2.956  -8.837
  183   3HD1  ILE  18          3HD1      ILE  18   7.365   2.844 -10.489
  184    QG1  ILE  18           QG1      ILE  18   7.637   0.649  -9.989
  185    QG2  ILE  18           QG2      ILE  18   8.202   0.880  -6.732
  186    QD1  ILE  18           QD1      ILE  18   7.200   2.842  -9.481
  187    H    ILE  19           HN       ILE  19   8.423  -3.034  -6.882
  188    HA   ILE  19           HA       ILE  19   6.240  -4.030  -5.330
  189    HB   ILE  19           HB       ILE  19   9.216  -4.009  -4.708
  190   1HG1  ILE  19          2HG1      ILE  19   8.648  -5.205  -6.835
  191   2HG1  ILE  19          3HG1      ILE  19   9.347  -6.227  -5.587
  192   1HG2  ILE  19          3HG2      ILE  19   6.923  -5.566  -3.432
  193   2HG2  ILE  19          1HG2      ILE  19   8.637  -5.979  -3.227
  194   3HG2  ILE  19          2HG2      ILE  19   8.025  -4.430  -2.643
  195   1HD1  ILE  19          2HD1      ILE  19   6.352  -6.082  -6.135
  196   2HD1  ILE  19          3HD1      ILE  19   7.453  -7.293  -6.810
  197   3HD1  ILE  19          1HD1      ILE  19   7.195  -7.220  -5.063
  198    QG1  ILE  19           QG1      ILE  19   8.997  -5.716  -6.211
  199    QG2  ILE  19           QG2      ILE  19   7.862  -5.325  -3.101
  200    QD1  ILE  19           QD1      ILE  19   7.000  -6.865  -6.003
  201    H    ARG  20           HN       ARG  20   5.185  -3.165  -3.684
  202    HA   ARG  20           HA       ARG  20   6.296  -0.972  -2.039
  203   1HB   ARG  20          2HB       ARG  20   3.766  -0.981  -3.758
  204   2HB   ARG  20          3HB       ARG  20   3.958   0.123  -2.401
  205   1HG   ARG  20          2HG       ARG  20   5.889   0.004  -4.767
  206   2HG   ARG  20          3HG       ARG  20   4.543   1.125  -4.605
  207   1HD   ARG  20          2HD       ARG  20   5.406   1.915  -2.479
  208   2HD   ARG  20          3HD       ARG  20   6.928   1.008  -2.704
  209    HE   ARG  20           HE       ARG  20   6.750   2.402  -5.014
  210   1HH1  ARG  20          2HH2      ARG  20   6.499   3.294  -1.618
  211   2HH1  ARG  20          1HH2      ARG  20   6.884   4.979  -1.849
  212   1HH2  ARG  20          2HH1      ARG  20   7.400   4.599  -5.373
  213   2HH2  ARG  20          1HH1      ARG  20   7.531   5.715  -4.056
  214    QB   ARG  20           QB       ARG  20   3.862  -0.429  -3.080
  215    QG   ARG  20           QG       ARG  20   5.216   0.564  -4.686
  216    QD   ARG  20           QD       ARG  20   6.167   1.461  -2.592
  217    QH1  ARG  20           QH2      ARG  20   6.692   4.137  -1.734
  218    QH2  ARG  20           QH1      ARG  20   7.465   5.157  -4.714
  219    H    TYR  21           HN       TYR  21   4.293  -0.470  -0.381
  220    HA   TYR  21           HA       TYR  21   3.294  -3.063   0.573
  221   1HB   TYR  21          2HB       TYR  21   4.456  -1.175   2.574
  222   2HB   TYR  21          3HB       TYR  21   4.129  -2.867   2.728
  223    HD1  TYR  21           HD1      TYR  21   6.441  -0.741   0.549
  224    HD2  TYR  21           HD2      TYR  21   6.030  -4.136   3.170
  225    HE1  TYR  21           HE1      TYR  21   8.593  -1.617  -0.259
  226    HE2  TYR  21           HE2      TYR  21   8.357  -4.800   2.627
  227    HH   TYR  21           HH       TYR  21  10.336  -3.003   0.262
  228    QB   TYR  21           QB       TYR  21   4.292  -2.021   2.651
  229    QR   TYR  21           QR       TYR  21   7.355  -2.824   1.522
  230    H    PHE  22           HN       PHE  22   1.738  -2.828   2.406
  231    HA   PHE  22           HA       PHE  22   0.311  -0.362   2.627
  232   1HB   PHE  22          2HB       PHE  22  -1.661  -0.863   1.613
  233   2HB   PHE  22          3HB       PHE  22  -0.517  -0.855   0.325
  234    HD1  PHE  22          2HD       PHE  22   0.422  -3.829   0.581
  235    HD2  PHE  22          1HD       PHE  22  -3.510  -2.023   0.668
  236    HE1  PHE  22          2HE       PHE  22  -0.625  -5.981   0.054
  237    HE2  PHE  22          1HE       PHE  22  -4.530  -4.199   0.457
  238    HZ   PHE  22           HZ       PHE  22  -3.113  -6.189   0.006
  239    QB   PHE  22           QB       PHE  22  -1.089  -0.859   0.969
  240    QR   PHE  22           QR       PHE  22  -2.061  -4.008   0.440
  241    H    TYR  23           HN       TYR  23  -1.393  -0.522   4.114
  242    HA   TYR  23           HA       TYR  23  -1.469  -2.847   5.852
  243   1HB   TYR  23          2HB       TYR  23  -2.021  -0.426   6.406
  244   2HB   TYR  23          3HB       TYR  23  -3.510  -0.642   5.503
  245    HD1  TYR  23           HD2      TYR  23  -5.169  -2.477   6.419
  246    HD2  TYR  23           HD1      TYR  23  -1.707  -1.147   8.614
  247    HE1  TYR  23           HE2      TYR  23  -6.226  -3.207   8.536
  248    HE2  TYR  23           HE1      TYR  23  -2.717  -1.949  10.707
  249    HH   TYR  23           HH       TYR  23  -4.588  -2.688  11.692
  250    QB   TYR  23           QB       TYR  23  -2.766  -0.534   5.954
  251    QR   TYR  23           QR       TYR  23  -3.955  -2.195   8.569
  252    H    ASN  24           HN       ASN  24  -2.677  -4.744   5.441
  253    HA   ASN  24           HA       ASN  24  -4.821  -4.582   3.337
  254   1HB   ASN  24          2HB       ASN  24  -3.030  -5.998   2.652
  255   2HB   ASN  24          3HB       ASN  24  -3.097  -6.966   4.145
  256   1HD2  ASN  24          2HD2      ASN  24  -4.925  -8.948   1.695
  257   2HD2  ASN  24          1HD2      ASN  24  -3.291  -8.611   2.238
  258    QB   ASN  24           QB       ASN  24  -3.064  -6.482   3.399
  259    QD2  ASN  24           QD2      ASN  24  -4.108  -8.780   1.966
  260    H    ALA  25           HN       ALA  25  -6.407  -3.943   4.927
  261    HA   ALA  25           HA       ALA  25  -6.833  -5.423   7.312
  262   1HB   ALA  25          2HB       ALA  25  -7.922  -3.237   6.717
  263   2HB   ALA  25          3HB       ALA  25  -8.865  -4.086   5.465
  264   3HB   ALA  25          1HB       ALA  25  -9.114  -4.480   7.183
  265    QB   ALA  25           QB       ALA  25  -8.634  -3.934   6.455
  266    H    LYS  26           HN       LYS  26  -7.019  -6.676   4.094
  267    HA   LYS  26           HA       LYS  26  -9.257  -8.488   4.795
  268   1HB   LYS  26          2HB       LYS  26  -8.451  -7.559   2.342
  269   2HB   LYS  26          3HB       LYS  26  -7.592  -9.101   2.415
  270   1HG   LYS  26          2HG       LYS  26  -9.662  -9.712   1.498
  271   2HG   LYS  26          3HG       LYS  26  -9.877 -10.091   3.202
  272   1HD   LYS  26          2HD       LYS  26 -11.801  -8.813   3.017
  273   2HD   LYS  26          3HD       LYS  26 -10.691  -7.473   3.240
  274   1HE   LYS  26          2HE       LYS  26 -11.954  -6.847   1.347
  275   2HE   LYS  26          3HE       LYS  26 -10.414  -7.395   0.683
  276   1HZ   LYS  26          2HZ       LYS  26 -11.513  -9.549   0.260
  277   2HZ   LYS  26          3HZ       LYS  26 -12.936  -8.927   0.797
  278   3HZ   LYS  26          1HZ       LYS  26 -12.226  -8.311  -0.549
  279    QB   LYS  26           QB       LYS  26  -8.021  -8.330   2.379
  280    QG   LYS  26           QG       LYS  26  -9.770  -9.901   2.350
  281    QD   LYS  26           QD       LYS  26 -11.246  -8.143   3.129
  282    QE   LYS  26           QE       LYS  26 -11.184  -7.121   1.015
  283    QZ   LYS  26           QZ       LYS  26 -12.225  -8.929   0.169
  284    H    ALA  27           HN       ALA  27  -5.862  -8.267   5.310
  285    HA   ALA  27           HA       ALA  27  -5.648 -11.198   5.911
  286   1HB   ALA  27          1HB       ALA  27  -3.575  -9.183   4.949
  287   2HB   ALA  27          2HB       ALA  27  -3.250 -10.870   5.402
  288   3HB   ALA  27          3HB       ALA  27  -4.284 -10.505   4.001
  289    QB   ALA  27           QB       ALA  27  -3.703 -10.186   4.784
  290    H    GLY  28           HN       GLY  28  -4.476  -7.925   6.810
  291   1HA   GLY  28          1HA       GLY  28  -4.651  -7.369   9.258
  292   2HA   GLY  28          2HA       GLY  28  -3.701  -8.850   9.522
  293    QA   GLY  28           QA       GLY  28  -4.176  -8.109   9.390
  294    H    LEU  29           HN       LEU  29  -2.415  -6.904  10.412
  295    HA   LEU  29           HA       LEU  29  -0.886  -5.176  10.214
  296   1HB   LEU  29          2HB       LEU  29   1.366  -6.425   9.840
  297   2HB   LEU  29          3HB       LEU  29   0.297  -6.705  11.174
  298    HG   LEU  29           HG       LEU  29   1.443  -8.663  10.256
  299   1HD1  LEU  29          2HD1      LEU  29  -0.492  -8.829  11.797
  300   2HD1  LEU  29          3HD1      LEU  29  -1.554  -9.058  10.395
  301   3HD1  LEU  29          1HD1      LEU  29  -0.289 -10.224  10.732
  302   1HD2  LEU  29          1HD2      LEU  29   1.055  -8.231   7.823
  303   2HD2  LEU  29          2HD2      LEU  29   0.697  -9.880   8.374
  304   3HD2  LEU  29          3HD2      LEU  29  -0.621  -8.776   8.049
  305    QB   LEU  29           QB       LEU  29   0.831  -6.565  10.507
  306    QD1  LEU  29           QD1      LEU  29  -0.778  -9.370  10.974
  307    QD2  LEU  29           QD2      LEU  29   0.377  -8.962   8.082
  308    QQD  LEU  29           QQD      LEU  29  -0.201  -9.166   9.528
  309    H    CYS  30           HN       CYS  30   1.486  -5.604   8.153
  310    HA   CYS  30           HA       CYS  30   0.250  -4.188   5.847
  311   1HB   CYS  30          2HB       CYS  30   2.748  -3.409   7.388
  312   2HB   CYS  30          3HB       CYS  30   2.402  -2.944   5.726
  313    QB   CYS  30           QB       CYS  30   2.575  -3.176   6.557
  314    H    GLN  31           HN       GLN  31   0.918  -4.952   3.968
  315    HA   GLN  31           HA       GLN  31   3.004  -7.094   3.928
  316   1HB   GLN  31          2HB       GLN  31   0.104  -7.228   3.015
  317   2HB   GLN  31          3HB       GLN  31   1.343  -8.292   2.331
  318   1HG   GLN  31          2HG       GLN  31   1.822  -9.314   4.439
  319   2HG   GLN  31          3HG       GLN  31   0.971  -8.063   5.345
  320   1HE2  GLN  31          2HE2      GLN  31  -1.354 -10.849   3.386
  321   2HE2  GLN  31          1HE2      GLN  31   0.136 -10.317   2.623
  322    QB   GLN  31           QB       GLN  31   0.723  -7.760   2.673
  323    QG   GLN  31           QG       GLN  31   1.396  -8.688   4.892
  324    QE2  GLN  31           QE2      GLN  31  -0.609 -10.583   3.004
  325    H    THR  32           HN       THR  32   3.490  -7.618   1.539
  326    HA   THR  32           HA       THR  32   4.163  -5.094   0.278
  327    HB   THR  32           HB       THR  32   5.476  -6.551  -1.234
  328    HG1  THR  32          1HG       THR  32   5.450  -8.801  -0.761
  329   1HG2  THR  32          2HG2      THR  32   6.402  -5.848   0.985
  330   2HG2  THR  32          3HG2      THR  32   5.820  -7.365   1.697
  331   3HG2  THR  32          1HG2      THR  32   7.053  -7.394   0.427
  332    QG2  THR  32           QG2      THR  32   6.425  -6.869   1.036
  333    H    PHE  33           HN       PHE  33   3.702  -4.810  -2.104
  334    HA   PHE  33           HA       PHE  33   1.964  -6.635  -3.440
  335   1HB   PHE  33          2HB       PHE  33   0.054  -5.364  -3.807
  336   2HB   PHE  33          3HB       PHE  33   0.319  -5.175  -2.094
  337    HD1  PHE  33          2HD       PHE  33   1.641  -2.981  -1.348
  338    HD2  PHE  33          1HD       PHE  33  -0.368  -3.481  -5.127
  339    HE1  PHE  33          2HE       PHE  33   1.371  -0.508  -1.561
  340    HE2  PHE  33          1HE       PHE  33  -0.608  -1.040  -5.333
  341    HZ   PHE  33           HZ       PHE  33   0.243   0.459  -3.524
  342    QB   PHE  33           QB       PHE  33   0.186  -5.269  -2.951
  343    QR   PHE  33           QR       PHE  33   0.509  -2.003  -3.342
  344    H    VAL  34           HN       VAL  34   1.566  -5.669  -5.777
  345    HA   VAL  34           HA       VAL  34   4.050  -4.268  -6.655
  346    HB   VAL  34           HB       VAL  34   1.864  -5.688  -8.243
  347   1HG1  VAL  34          3HG1      VAL  34   4.472  -4.357  -9.080
  348   2HG1  VAL  34          1HG1      VAL  34   3.425  -5.298 -10.170
  349   3HG1  VAL  34          2HG1      VAL  34   2.857  -3.773  -9.511
  350   1HG2  VAL  34          1HG2      VAL  34   3.378  -7.255  -6.987
  351   2HG2  VAL  34          2HG2      VAL  34   3.577  -7.360  -8.744
  352   3HG2  VAL  34          3HG2      VAL  34   4.773  -6.484  -7.774
  353    QG1  VAL  34           QG1      VAL  34   3.584  -4.476  -9.587
  354    QG2  VAL  34           QG2      VAL  34   3.909  -7.033  -7.835
  355    QQG  VAL  34           QQG      VAL  34   3.747  -5.754  -8.711
  356    H    TYR  35           HN       TYR  35   3.883  -2.110  -7.153
  357    HA   TYR  35           HA       TYR  35   1.186  -0.896  -7.580
  358   1HB   TYR  35          2HB       TYR  35   2.212  -0.042  -5.560
  359   2HB   TYR  35          3HB       TYR  35   3.773   0.080  -6.361
  360    HD1  TYR  35           HD1      TYR  35   0.299   1.512  -6.473
  361    HD2  TYR  35           HD2      TYR  35   4.502   2.161  -7.161
  362    HE1  TYR  35           HE1      TYR  35  -0.143   3.878  -7.152
  363    HE2  TYR  35           HE2      TYR  35   4.031   4.506  -7.798
  364    HH   TYR  35           HH       TYR  35   0.706   5.557  -8.545
  365    QB   TYR  35           QB       TYR  35   2.993   0.019  -5.960
  366    QR   TYR  35           QR       TYR  35   2.172   3.014  -7.146
  367    H    GLY  36           HN       GLY  36   1.038   0.492  -9.365
  368   1HA   GLY  36          1HA       GLY  36   2.608  -0.127 -11.636
  369   2HA   GLY  36          2HA       GLY  36   1.420   1.166 -11.528
  370    QA   GLY  36           QA       GLY  36   2.014   0.520 -11.582
  371    H    GLY  37           HN       GLY  37   2.125   3.290 -10.891
  372   1HA   GLY  37          1HA       GLY  37   4.549   4.258 -10.079
  373   2HA   GLY  37          2HA       GLY  37   4.897   3.801 -11.749
  374    QA   GLY  37           QA       GLY  37   4.723   4.029 -10.914
  375    H    CYS  38           HN       CYS  38   1.947   5.258 -10.298
  376    HA   CYS  38           HA       CYS  38   2.458   7.865 -10.881
  377   1HB   CYS  38          2HB       CYS  38   0.867   8.378 -12.710
  378   2HB   CYS  38          3HB       CYS  38   2.343   7.626 -13.268
  379    QB   CYS  38           QB       CYS  38   1.605   8.002 -12.989
  380    H    ARG  39           HN       ARG  39   0.774   9.200 -10.211
  381    HA   ARG  39           HA       ARG  39  -0.870   9.753  -8.746
  382   1HB   ARG  39          2HB       ARG  39  -2.409   7.684 -10.337
  383   2HB   ARG  39          3HB       ARG  39  -3.128   8.911  -9.289
  384   1HG   ARG  39          2HG       ARG  39  -3.155  10.408 -10.953
  385   2HG   ARG  39          3HG       ARG  39  -1.408  10.374 -10.997
  386   1HD   ARG  39          2HD       ARG  39  -1.572   9.671 -13.092
  387   2HD   ARG  39          3HD       ARG  39  -2.015   8.088 -12.501
  388    HE   ARG  39           HE       ARG  39  -3.610  10.034 -13.905
  389   1HH1  ARG  39          2HH2      ARG  39  -3.966   7.560 -11.450
  390   2HH1  ARG  39          1HH2      ARG  39  -5.612   7.145 -11.837
  391   1HH2  ARG  39          2HH1      ARG  39  -5.791   9.532 -14.484
  392   2HH2  ARG  39          1HH1      ARG  39  -6.671   8.323 -13.615
  393    QB   ARG  39           QB       ARG  39  -2.768   8.297  -9.813
  394    QG   ARG  39           QG       ARG  39  -2.282  10.391 -10.975
  395    QD   ARG  39           QD       ARG  39  -1.794   8.880 -12.796
  396    QH1  ARG  39           QH2      ARG  39  -4.789   7.353 -11.644
  397    QH2  ARG  39           QH1      ARG  39  -6.231   8.927 -14.049
  398    H    ALA  40           HN       ALA  40   0.883   8.198  -7.521
  399    HA   ALA  40           HA       ALA  40  -0.011   5.889  -6.196
  400   1HB   ALA  40          3HB       ALA  40   1.738   8.144  -5.190
  401   2HB   ALA  40          1HB       ALA  40   1.566   6.542  -4.433
  402   3HB   ALA  40          2HB       ALA  40   2.276   6.683  -6.055
  403    QB   ALA  40           QB       ALA  40   1.860   7.123  -5.226
  404    H    LYS  41           HN       LYS  41  -1.607   5.528  -4.764
  405    HA   LYS  41           HA       LYS  41  -3.118   7.791  -3.615
  406   1HB   LYS  41          2HB       LYS  41  -3.526   4.795  -3.250
  407   2HB   LYS  41          3HB       LYS  41  -4.674   6.086  -2.862
  408   1HG   LYS  41          2HG       LYS  41  -3.754   5.408  -5.683
  409   2HG   LYS  41          3HG       LYS  41  -5.236   4.867  -4.895
  410   1HD   LYS  41          2HD       LYS  41  -5.226   7.683  -4.514
  411   2HD   LYS  41          3HD       LYS  41  -4.612   7.440  -6.158
  412   1HE   LYS  41          2HE       LYS  41  -6.596   5.916  -6.572
  413   2HE   LYS  41          3HE       LYS  41  -7.167   6.279  -4.929
  414   1HZ   LYS  41          2HZ       LYS  41  -6.832   8.262  -7.087
  415   2HZ   LYS  41          3HZ       LYS  41  -8.264   7.618  -6.597
  416   3HZ   LYS  41          1HZ       LYS  41  -7.399   8.566  -5.569
  417    QB   LYS  41           QB       LYS  41  -4.100   5.440  -3.056
  418    QG   LYS  41           QG       LYS  41  -4.495   5.137  -5.289
  419    QD   LYS  41           QD       LYS  41  -4.919   7.562  -5.336
  420    QE   LYS  41           QE       LYS  41  -6.881   6.097  -5.750
  421    QZ   LYS  41           QZ       LYS  41  -7.498   8.149  -6.417
  422    H    ARG  42           HN       ARG  42  -3.816   6.954  -1.172
  423    HA   ARG  42           HA       ARG  42  -1.450   7.630   0.338
  424   1HB   ARG  42          2HB       ARG  42  -4.077   6.592   1.491
  425   2HB   ARG  42          3HB       ARG  42  -2.850   7.510   2.318
  426   1HG   ARG  42          2HG       ARG  42  -3.376   9.283   0.312
  427   2HG   ARG  42          3HG       ARG  42  -4.890   8.365   0.287
  428   1HD   ARG  42          2HD       ARG  42  -5.372  10.097   1.823
  429   2HD   ARG  42          3HD       ARG  42  -4.967   8.733   2.844
  430    HE   ARG  42           HE       ARG  42  -3.049   9.773   3.576
  431   1HH1  ARG  42          2HH2      ARG  42  -4.302  11.531   0.794
  432   2HH1  ARG  42          1HH2      ARG  42  -3.294  12.930   0.997
  433   1HH2  ARG  42          2HH1      ARG  42  -1.619  11.592   3.843
  434   2HH2  ARG  42          1HH1      ARG  42  -1.709  12.939   2.758
  435    QB   ARG  42           QB       ARG  42  -3.463   7.051   1.905
  436    QG   ARG  42           QG       ARG  42  -4.133   8.824   0.299
  437    QD   ARG  42           QD       ARG  42  -5.169   9.415   2.333
  438    QH1  ARG  42           QH2      ARG  42  -3.798  12.230   0.896
  439    QH2  ARG  42           QH1      ARG  42  -1.664  12.265   3.300
  440    H    ASN  43           HN       ASN  43  -3.422   4.693   0.045
  441    HA   ASN  43           HA       ASN  43  -1.899   2.863   1.411
  442   1HB   ASN  43          2HB       ASN  43  -4.151   2.665   0.340
  443   2HB   ASN  43          3HB       ASN  43  -3.408   2.416  -1.227
  444   1HD2  ASN  43          2HD2      ASN  43  -3.630  -0.516   1.737
  445   2HD2  ASN  43          1HD2      ASN  43  -4.543   0.920   1.622
  446    QB   ASN  43           QB       ASN  43  -3.779   2.541  -0.444
  447    QD2  ASN  43           QD2      ASN  43  -4.087   0.202   1.679
  448    H    ASN  44           HN       ASN  44   0.398   3.874   0.686
  449    HA   ASN  44           HA       ASN  44   1.589   1.928  -1.108
  450   1HB   ASN  44          2HB       ASN  44   0.510   3.721  -2.668
  451   2HB   ASN  44          3HB       ASN  44   1.703   4.849  -2.050
  452   1HD2  ASN  44          2HD2      ASN  44   3.707   3.678  -4.780
  453   2HD2  ASN  44          1HD2      ASN  44   2.945   5.058  -4.006
  454    QB   ASN  44           QB       ASN  44   1.106   4.285  -2.359
  455    QD2  ASN  44           QD2      ASN  44   3.326   4.368  -4.393
  456    H    PHE  45           HN       PHE  45   2.931   1.500   0.744
  457    HA   PHE  45           HA       PHE  45   4.626   3.788   1.691
  458   1HB   PHE  45          2HB       PHE  45   4.213   1.068   2.915
  459   2HB   PHE  45          3HB       PHE  45   5.058   2.427   3.637
  460    HD1  PHE  45          1HD       PHE  45   1.739   1.191   2.602
  461    HD2  PHE  45          2HD       PHE  45   3.854   4.329   4.627
  462    HE1  PHE  45          1HE       PHE  45  -0.394   1.948   3.609
  463    HE2  PHE  45          2HE       PHE  45   1.748   5.113   5.610
  464    HZ   PHE  45           HZ       PHE  45  -0.396   3.823   5.190
  465    QB   PHE  45           QB       PHE  45   4.635   1.748   3.276
  466    QR   PHE  45           QR       PHE  45   1.737   3.145   4.112
  467    H    LYS  46           HN       LYS  46   6.883   2.727   2.615
  468    HA   LYS  46           HA       LYS  46   8.239   1.748   0.136
  469   1HB   LYS  46          2HB       LYS  46   9.399   3.093   2.619
  470   2HB   LYS  46          3HB       LYS  46  10.219   2.752   1.103
  471   1HG   LYS  46          2HG       LYS  46   7.903   4.402   0.524
  472   2HG   LYS  46          3HG       LYS  46   8.725   5.054   1.944
  473   1HD   LYS  46          2HD       LYS  46  10.936   4.776   0.542
  474   2HD   LYS  46          3HD       LYS  46   9.874   4.502  -0.839
  475   1HE   LYS  46          2HE       LYS  46  10.653   6.805  -0.804
  476   2HE   LYS  46          3HE       LYS  46   8.910   6.795  -0.518
  477   1HZ   LYS  46          1HZ       LYS  46   9.432   7.006   1.868
  478   2HZ   LYS  46          2HZ       LYS  46  11.029   7.073   1.518
  479   3HZ   LYS  46          3HZ       LYS  46  10.028   8.267   1.010
  480    QB   LYS  46           QB       LYS  46   9.809   2.923   1.861
  481    QG   LYS  46           QG       LYS  46   8.314   4.728   1.234
  482    QD   LYS  46           QD       LYS  46  10.405   4.639  -0.148
  483    QE   LYS  46           QE       LYS  46   9.781   6.800  -0.661
  484    QZ   LYS  46           QZ       LYS  46  10.163   7.449   1.465
  485    H    SER  47           HN       SER  47   7.515   0.936   3.466
  486    HA   SER  47           HA       SER  47   8.824  -1.659   3.313
  487   1HB   SER  47          2HB       SER  47  10.137  -1.289   5.360
  488   2HB   SER  47          3HB       SER  47  10.621  -0.105   4.136
  489    HG   SER  47           HG       SER  47   8.999   0.276   6.424
  490    QB   SER  47           QB       SER  47  10.379  -0.697   4.748
  491    H    ALA  48           HN       ALA  48   8.214  -2.780   5.567
  492    HA   ALA  48           HA       ALA  48   5.416  -2.179   6.092
  493   1HB   ALA  48          1HB       ALA  48   6.140  -4.504   6.127
  494   2HB   ALA  48          2HB       ALA  48   7.198  -4.171   7.525
  495   3HB   ALA  48          3HB       ALA  48   5.438  -3.999   7.669
  496    QB   ALA  48           QB       ALA  48   6.259  -4.225   7.107
  497    H    GLU  49           HN       GLU  49   8.511  -1.432   7.810
  498    HA   GLU  49           HA       GLU  49   7.343  -0.782  10.236
  499   1HB   GLU  49          2HB       GLU  49   9.295   0.778  10.575
  500   2HB   GLU  49          3HB       GLU  49   9.635  -0.916  10.272
  501   1HG   GLU  49          2HG       GLU  49  10.254  -0.384   7.915
  502   2HG   GLU  49          3HG       GLU  49   9.889   1.335   8.224
  503    QB   GLU  49           QB       GLU  49   9.465  -0.069  10.423
  504    QG   GLU  49           QG       GLU  49  10.071   0.475   8.070
  505    H    ASP  50           HN       ASP  50   7.785   1.476   7.469
  506    HA   ASP  50           HA       ASP  50   6.627   3.765   8.686
  507   1HB   ASP  50          2HB       ASP  50   6.720   2.724   5.787
  508   2HB   ASP  50          3HB       ASP  50   5.845   4.198   6.194
  509    QB   ASP  50           QB       ASP  50   6.282   3.461   5.991
  510    H    CYS  51           HN       CYS  51   5.178   1.307   6.594
  511    HA   CYS  51           HA       CYS  51   2.534   2.156   6.593
  512   1HB   CYS  51          2HB       CYS  51   3.512   0.461   5.127
  513   2HB   CYS  51          3HB       CYS  51   3.628  -0.677   6.460
  514    QB   CYS  51           QB       CYS  51   3.570  -0.108   5.794
  515    H    MET  52           HN       MET  52   4.001  -0.205   8.876
  516    HA   MET  52           HA       MET  52   1.611  -0.511  10.454
  517   1HB   MET  52          2HB       MET  52   4.551  -1.073  11.069
  518   2HB   MET  52          3HB       MET  52   3.189  -1.487  12.104
  519   1HG   MET  52          2HG       MET  52   2.331  -2.556   9.696
  520   2HG   MET  52          3HG       MET  52   4.076  -2.773   9.589
  521   1HE   MET  52          2HE       MET  52   0.743  -3.716  11.442
  522   2HE   MET  52          3HE       MET  52   1.364  -4.756  12.755
  523   3HE   MET  52          1HE       MET  52   1.628  -3.011  12.814
  524    QB   MET  52           QB       MET  52   3.870  -1.280  11.586
  525    QG   MET  52           QG       MET  52   3.203  -2.665   9.642
  526    QE   MET  52           QE       MET  52   1.245  -3.827  12.337
  527    H    ARG  53           HN       ARG  53   4.537   1.685  10.876
  528    HA   ARG  53           HA       ARG  53   3.587   2.676  13.349
  529   1HB   ARG  53          2HB       ARG  53   5.871   3.107  12.387
  530   2HB   ARG  53          3HB       ARG  53   5.123   4.231  11.236
  531   1HG   ARG  53          2HG       ARG  53   4.214   5.544  13.208
  532   2HG   ARG  53          3HG       ARG  53   5.074   4.454  14.293
  533   1HD   ARG  53          2HD       ARG  53   6.395   6.105  12.080
  534   2HD   ARG  53          3HD       ARG  53   6.149   6.736  13.693
  535    HE   ARG  53           HE       ARG  53   8.131   4.771  12.804
  536   1HH1  ARG  53          2HH2      ARG  53   6.362   5.861  15.633
  537   2HH1  ARG  53          1HH2      ARG  53   7.679   5.694  16.755
  538   1HH2  ARG  53          2HH1      ARG  53   9.953   4.571  14.248
  539   2HH2  ARG  53          1HH1      ARG  53   9.768   4.903  15.937
  540    QB   ARG  53           QB       ARG  53   5.497   3.669  11.812
  541    QG   ARG  53           QG       ARG  53   4.644   4.999  13.751
  542    QD   ARG  53           QD       ARG  53   6.272   6.421  12.886
  543    QH1  ARG  53           QH2      ARG  53   7.021   5.778  16.194
  544    QH2  ARG  53           QH1      ARG  53   9.861   4.737  15.092
  545    H    THR  54           HN       THR  54   2.801   3.586   9.992
  546    HA   THR  54           HA       THR  54   1.345   5.925  10.548
  547    HB   THR  54           HB       THR  54   0.989   3.906   8.274
  548    HG1  THR  54          1HG       THR  54   3.061   4.675   8.303
  549   1HG2  THR  54          1HG2      THR  54   0.118   6.835   8.399
  550   2HG2  THR  54          2HG2      THR  54   0.153   5.813   6.956
  551   3HG2  THR  54          3HG2      THR  54  -0.932   5.408   8.284
  552    QG2  THR  54           QG2      THR  54  -0.221   6.019   7.880
  553    H    CYS  55           HN       CYS  55   0.309   2.508  10.620
  554    HA   CYS  55           HA       CYS  55  -2.508   3.423  11.017
  555   1HB   CYS  55          2HB       CYS  55  -1.800   1.579   9.312
  556   2HB   CYS  55          3HB       CYS  55  -1.740   0.542  10.753
  557    QB   CYS  55           QB       CYS  55  -1.770   1.060  10.033
  558    H    GLY  56           HN       GLY  56  -0.163   1.181  12.465
  559   1HA   GLY  56          1HA       GLY  56  -0.211   0.061  14.494
  560   2HA   GLY  56          2HA       GLY  56   0.132   1.751  14.895
  561    QA   GLY  56           QA       GLY  56  -0.040   0.906  14.695
  562    H    GLY  57           HN       GLY  57  -2.707  -0.353  14.311
  563   1HA   GLY  57          1HA       GLY  57  -4.227   0.946  16.503
  564   2HA   GLY  57          2HA       GLY  57  -4.831  -0.254  15.354
  565    QA   GLY  57           QA       GLY  57  -4.529   0.346  15.929
  566    H    ALA  58           HN       ALA  58  -4.138  -2.483  15.635
  567    HA   ALA  58           HA       ALA  58  -4.375  -4.322  16.911
  568   1HB   ALA  58          2HB       ALA  58  -2.381  -2.939  18.746
  569   2HB   ALA  58          3HB       ALA  58  -3.126  -4.493  19.131
  570   3HB   ALA  58          1HB       ALA  58  -2.151  -4.329  17.671
  571    QB   ALA  58           QB       ALA  58  -2.553  -3.920  18.516
   
  No H/Q in entry =         571
  Start of MODEL    3
    1    H    ARG   1           HN       ARG   1  -8.034   5.610  14.179
    2    HA   ARG   1           HA       ARG   1  -5.503   5.970  12.723
    3   1HB   ARG   1          2HB       ARG   1  -5.804   3.707  11.885
    4   2HB   ARG   1          3HB       ARG   1  -5.851   3.688  13.632
    5   1HG   ARG   1          2HG       ARG   1  -7.964   2.863  13.680
    6   2HG   ARG   1          3HG       ARG   1  -8.577   3.964  12.455
    7   1HD   ARG   1          2HD       ARG   1  -8.737   1.636  11.670
    8   2HD   ARG   1          3HD       ARG   1  -7.737   2.600  10.632
    9    HE   ARG   1           HE       ARG   1  -5.885   1.401  11.116
   10   1HH1  ARG   1          2HH2      ARG   1  -8.385   0.619  13.466
   11   2HH1  ARG   1          1HH2      ARG   1  -7.527  -0.697  14.205
   12   1HH2  ARG   1          2HH1      ARG   1  -4.708  -0.340  12.035
   13   2HH2  ARG   1          1HH1      ARG   1  -5.415  -1.321  13.271
   14    QB   ARG   1           QB       ARG   1  -5.828   3.697  12.758
   15    QG   ARG   1           QG       ARG   1  -8.270   3.413  13.067
   16    QD   ARG   1           QD       ARG   1  -8.237   2.118  11.151
   17    QH1  ARG   1           QH2      ARG   1  -7.956  -0.039  13.835
   18    QH2  ARG   1           QH1      ARG   1  -5.061  -0.830  12.653
   19    HA   PRO   2           HA       PRO   2  -8.056   7.300   9.300
   20   1HB   PRO   2          2HB       PRO   2  -6.581   6.424   7.149
   21   2HB   PRO   2          3HB       PRO   2  -6.260   7.917   8.098
   22   1HG   PRO   2          2HG       PRO   2  -4.760   5.353   8.012
   23   2HG   PRO   2          3HG       PRO   2  -4.204   6.942   8.583
   24   1HD   PRO   2          2HD       PRO   2  -5.087   4.748  10.172
   25   2HD   PRO   2          3HD       PRO   2  -4.638   6.386  10.721
   26    QB   PRO   2           QB       PRO   2  -6.421   7.170   7.623
   27    QG   PRO   2           QG       PRO   2  -4.482   6.148   8.298
   28    QD   PRO   2           QD       PRO   2  -4.863   5.567  10.447
   29    H    ASP   3           HN       ASP   3  -9.363   6.600   7.500
   30    HA   ASP   3           HA       ASP   3 -10.178   3.843   7.635
   31   1HB   ASP   3          2HB       ASP   3 -11.654   6.012   7.540
   32   2HB   ASP   3          3HB       ASP   3 -11.372   5.920   5.789
   33    QB   ASP   3           QB       ASP   3 -11.513   5.966   6.664
   34    H    PHE   4           HN       PHE   4  -8.515   6.053   5.433
   35    HA   PHE   4           HA       PHE   4  -8.662   4.543   3.076
   36   1HB   PHE   4          2HB       PHE   4  -6.755   5.704   2.270
   37   2HB   PHE   4          3HB       PHE   4  -7.759   6.830   3.169
   38    HD1  PHE   4          1HD       PHE   4  -4.639   4.733   3.366
   39    HD2  PHE   4          2HD       PHE   4  -6.808   8.044   5.038
   40    HE1  PHE   4          1HE       PHE   4  -2.799   5.109   4.956
   41    HE2  PHE   4          2HE       PHE   4  -4.851   8.566   6.476
   42    HZ   PHE   4           HZ       PHE   4  -2.876   7.056   6.491
   43    QB   PHE   4           QB       PHE   4  -7.257   6.267   2.720
   44    QR   PHE   4           QR       PHE   4  -4.774   6.613   4.959
   45    H    CYS   5           HN       CYS   5  -6.800   3.968   6.014
   46    HA   CYS   5           HA       CYS   5  -4.734   2.391   4.917
   47   1HB   CYS   5          2HB       CYS   5  -5.682   3.014   7.532
   48   2HB   CYS   5          3HB       CYS   5  -5.490   1.263   7.465
   49    QB   CYS   5           QB       CYS   5  -5.586   2.138   7.498
   50    H    LEU   6           HN       LEU   6  -8.169   1.673   5.246
   51    HA   LEU   6           HA       LEU   6  -7.700  -1.196   4.720
   52   1HB   LEU   6          2HB       LEU   6 -10.350   0.230   4.961
   53   2HB   LEU   6          3HB       LEU   6  -9.978  -1.476   5.142
   54    HG   LEU   6           HG       LEU   6  -8.343  -0.306   7.101
   55   1HD1  LEU   6          1HD1      LEU   6 -10.765   1.438   6.762
   56   2HD1  LEU   6          2HD1      LEU   6 -10.209   1.081   8.397
   57   3HD1  LEU   6          3HD1      LEU   6  -9.094   1.824   7.271
   58   1HD2  LEU   6          3HD2      LEU   6 -10.295  -2.236   7.153
   59   2HD2  LEU   6          1HD2      LEU   6  -9.363  -1.623   8.529
   60   3HD2  LEU   6          2HD2      LEU   6 -10.977  -0.988   8.197
   61    QB   LEU   6           QB       LEU   6 -10.164  -0.623   5.052
   62    QD1  LEU   6           QD1      LEU   6 -10.023   1.447   7.477
   63    QD2  LEU   6           QD2      LEU   6 -10.212  -1.616   7.960
   64    QQD  LEU   6           QQD      LEU   6 -10.117  -0.084   7.718
   65    H    GLU   7           HN       GLU   7  -7.042   1.054   2.657
   66    HA   GLU   7           HA       GLU   7  -8.992   0.591   0.564
   67   1HB   GLU   7          2HB       GLU   7  -6.389   2.113   0.736
   68   2HB   GLU   7          3HB       GLU   7  -7.260   1.980  -0.777
   69   1HG   GLU   7          2HG       GLU   7  -8.667   2.859   1.719
   70   2HG   GLU   7          3HG       GLU   7  -7.720   4.035   0.796
   71    QB   GLU   7           QB       GLU   7  -6.825   2.046  -0.021
   72    QG   GLU   7           QG       GLU   7  -8.194   3.447   1.258
   73    HA   PRO   8           HA       PRO   8  -6.828  -2.747  -1.301
   74   1HB   PRO   8          2HB       PRO   8  -7.635  -2.552  -3.974
   75   2HB   PRO   8          3HB       PRO   8  -8.578  -3.248  -2.629
   76   1HG   PRO   8          2HG       PRO   8  -8.904  -0.593  -3.953
   77   2HG   PRO   8          3HG       PRO   8 -10.112  -1.597  -3.104
   78   1HD   PRO   8          2HD       PRO   8  -8.756   0.678  -2.074
   79   2HD   PRO   8          3HD       PRO   8  -9.745  -0.493  -1.156
   80    QB   PRO   8           QB       PRO   8  -8.106  -2.900  -3.302
   81    QG   PRO   8           QG       PRO   8  -9.508  -1.095  -3.528
   82    QD   PRO   8           QD       PRO   8  -9.250   0.092  -1.615
   83    HA   PRO   9           HA       PRO   9  -3.086  -1.115  -3.074
   84   1HB   PRO   9          2HB       PRO   9  -2.079  -3.401  -4.254
   85   2HB   PRO   9          3HB       PRO   9  -2.040  -3.041  -2.496
   86   1HG   PRO   9          2HG       PRO   9  -3.743  -4.918  -4.064
   87   2HG   PRO   9          3HG       PRO   9  -3.188  -5.031  -2.375
   88   1HD   PRO   9          2HD       PRO   9  -5.739  -4.173  -3.250
   89   2HD   PRO   9          3HD       PRO   9  -5.043  -3.925  -1.623
   90    QB   PRO   9           QB       PRO   9  -2.059  -3.221  -3.375
   91    QG   PRO   9           QG       PRO   9  -3.465  -4.974  -3.219
   92    QD   PRO   9           QD       PRO   9  -5.391  -4.049  -2.436
   93    H    TYR  10           HN       TYR  10  -4.085   0.301  -4.572
   94    HA   TYR  10           HA       TYR  10  -4.916  -0.617  -7.194
   95   1HB   TYR  10          2HB       TYR  10  -5.952   1.269  -5.909
   96   2HB   TYR  10          3HB       TYR  10  -4.461   2.189  -6.119
   97    HD1  TYR  10           HD1      TYR  10  -6.857   0.200  -8.237
   98    HD2  TYR  10           HD2      TYR  10  -4.478   3.784  -7.882
   99    HE1  TYR  10           HE1      TYR  10  -7.728   0.998 -10.411
  100    HE2  TYR  10           HE2      TYR  10  -5.479   4.646  -9.970
  101    HH   TYR  10           HH       TYR  10  -6.906   4.200 -11.755
  102    QB   TYR  10           QB       TYR  10  -5.207   1.729  -6.014
  103    QR   TYR  10           QR       TYR  10  -6.136   2.407  -9.125
  104    H    THR  11           HN       THR  11  -3.340  -1.216  -8.711
  105    HA   THR  11           HA       THR  11  -0.723  -0.107  -8.586
  106    HB   THR  11           HB       THR  11  -2.156  -1.925 -10.509
  107    HG1  THR  11          1HG       THR  11  -0.357  -3.176  -9.628
  108   1HG2  THR  11          2HG2      THR  11  -0.161  -0.341 -11.713
  109   2HG2  THR  11          3HG2      THR  11   0.727  -1.744 -11.094
  110   3HG2  THR  11          1HG2      THR  11  -0.649  -1.965 -12.173
  111    QG2  THR  11           QG2      THR  11  -0.028  -1.350 -11.660
  112    H    GLY  12           HN       GLY  12  -3.561   0.820 -10.383
  113   1HA   GLY  12          1HA       GLY  12  -3.971   2.932 -11.168
  114   2HA   GLY  12          2HA       GLY  12  -2.264   3.390 -11.108
  115    QA   GLY  12           QA       GLY  12  -3.117   3.161 -11.138
  116    HA   PRO  13           HA       PRO  13  -3.495   1.810 -15.423
  117   1HB   PRO  13          2HB       PRO  13  -4.208   4.142 -16.724
  118   2HB   PRO  13          3HB       PRO  13  -5.335   3.105 -15.825
  119   1HG   PRO  13          2HG       PRO  13  -4.153   5.726 -14.981
  120   2HG   PRO  13          3HG       PRO  13  -5.748   5.018 -14.600
  121   1HD   PRO  13          2HD       PRO  13  -3.445   4.997 -12.934
  122   2HD   PRO  13          3HD       PRO  13  -4.935   4.035 -12.732
  123    QB   PRO  13           QB       PRO  13  -4.772   3.624 -16.274
  124    QG   PRO  13           QG       PRO  13  -4.951   5.372 -14.790
  125    QD   PRO  13           QD       PRO  13  -4.190   4.516 -12.833
  126    H    CYS  14           HN       CYS  14  -1.080   1.797 -14.527
  127    HA   CYS  14           HA       CYS  14   0.601   3.505 -16.318
  128   1HB   CYS  14          2HB       CYS  14   1.362   2.526 -13.553
  129   2HB   CYS  14          3HB       CYS  14   2.300   3.589 -14.598
  130    QB   CYS  14           QB       CYS  14   1.831   3.057 -14.075
  131    H    LYS  15           HN       LYS  15   2.713   2.385 -16.726
  132    HA   LYS  15           HA       LYS  15   2.273  -0.548 -17.046
  133   1HB   LYS  15          2HB       LYS  15   3.092   1.509 -18.887
  134   2HB   LYS  15          3HB       LYS  15   4.480   0.460 -18.604
  135   1HG   LYS  15          2HG       LYS  15   2.655  -1.482 -18.972
  136   2HG   LYS  15          3HG       LYS  15   1.766  -0.171 -19.754
  137   1HD   LYS  15          2HD       LYS  15   2.980  -0.877 -21.604
  138   2HD   LYS  15          3HD       LYS  15   4.165   0.233 -20.934
  139   1HE   LYS  15          2HE       LYS  15   5.322  -1.809 -21.433
  140   2HE   LYS  15          3HE       LYS  15   5.210  -1.724 -19.670
  141   1HZ   LYS  15          3HZ       LYS  15   3.019  -3.090 -20.926
  142   2HZ   LYS  15          1HZ       LYS  15   4.471  -3.812 -21.184
  143   3HZ   LYS  15          2HZ       LYS  15   3.949  -3.552 -19.650
  144    QB   LYS  15           QB       LYS  15   3.786   0.985 -18.746
  145    QG   LYS  15           QG       LYS  15   2.211  -0.826 -19.363
  146    QD   LYS  15           QD       LYS  15   3.572  -0.322 -21.269
  147    QE   LYS  15           QE       LYS  15   5.266  -1.766 -20.552
  148    QZ   LYS  15           QZ       LYS  15   3.813  -3.485 -20.587
  149    H    ALA  16           HN       ALA  16   4.354   1.815 -15.555
  150    HA   ALA  16           HA       ALA  16   6.660   0.183 -15.121
  151   1HB   ALA  16          2HB       ALA  16   6.612   2.663 -14.869
  152   2HB   ALA  16          3HB       ALA  16   5.548   2.493 -13.461
  153   3HB   ALA  16          1HB       ALA  16   7.204   1.856 -13.404
  154    QB   ALA  16           QB       ALA  16   6.455   2.338 -13.911
  155    H    ARG  17           HN       ARG  17   7.286  -0.595 -12.803
  156    HA   ARG  17           HA       ARG  17   4.990  -1.634 -11.291
  157   1HB   ARG  17          2HB       ARG  17   7.237  -3.539 -11.907
  158   2HB   ARG  17          3HB       ARG  17   5.573  -3.809 -11.472
  159   1HG   ARG  17          2HG       ARG  17   5.236  -2.713 -13.957
  160   2HG   ARG  17          3HG       ARG  17   6.825  -3.433 -14.142
  161   1HD   ARG  17          2HD       ARG  17   5.329  -5.137 -14.832
  162   2HD   ARG  17          3HD       ARG  17   5.692  -5.581 -13.169
  163    HE   ARG  17           HE       ARG  17   3.480  -5.285 -12.646
  164   1HH1  ARG  17          2HH2      ARG  17   4.135  -3.225 -15.484
  165   2HH1  ARG  17          1HH2      ARG  17   2.492  -2.812 -15.730
  166   1HH2  ARG  17          2HH1      ARG  17   1.268  -4.642 -12.962
  167   2HH2  ARG  17          1HH1      ARG  17   0.849  -3.605 -14.287
  168    QB   ARG  17           QB       ARG  17   6.405  -3.674 -11.690
  169    QG   ARG  17           QG       ARG  17   6.030  -3.073 -14.050
  170    QD   ARG  17           QD       ARG  17   5.510  -5.359 -14.001
  171    QH1  ARG  17           QH2      ARG  17   3.314  -3.018 -15.607
  172    QH2  ARG  17           QH1      ARG  17   1.059  -4.124 -13.625
  173    H    ILE  18           HN       ILE  18   5.440  -1.336  -9.170
  174    HA   ILE  18           HA       ILE  18   8.233  -1.199  -8.172
  175    HB   ILE  18           HB       ILE  18   6.016   0.835  -7.663
  176   1HG1  ILE  18          2HG1      ILE  18   8.508   1.092  -9.376
  177   2HG1  ILE  18          3HG1      ILE  18   6.820   1.096  -9.932
  178   1HG2  ILE  18          3HG2      ILE  18   7.546   0.467  -5.767
  179   2HG2  ILE  18          1HG2      ILE  18   8.945   0.762  -6.815
  180   3HG2  ILE  18          2HG2      ILE  18   7.797   2.070  -6.446
  181   1HD1  ILE  18          1HD1      ILE  18   6.442   3.104  -8.430
  182   2HD1  ILE  18          2HD1      ILE  18   8.206   3.272  -8.366
  183   3HD1  ILE  18          3HD1      ILE  18   7.369   3.351  -9.930
  184    QG1  ILE  18           QG1      ILE  18   7.664   1.094  -9.654
  185    QG2  ILE  18           QG2      ILE  18   8.096   1.100  -6.343
  186    QD1  ILE  18           QD1      ILE  18   7.339   3.242  -8.909
  187    H    ILE  19           HN       ILE  19   8.292  -2.671  -6.504
  188    HA   ILE  19           HA       ILE  19   5.881  -3.773  -5.401
  189    HB   ILE  19           HB       ILE  19   8.777  -3.930  -4.533
  190   1HG1  ILE  19          2HG1      ILE  19   8.116  -4.854  -6.844
  191   2HG1  ILE  19          3HG1      ILE  19   8.939  -5.944  -5.738
  192   1HG2  ILE  19          2HG2      ILE  19   6.304  -5.374  -3.515
  193   2HG2  ILE  19          3HG2      ILE  19   7.944  -6.042  -3.330
  194   3HG2  ILE  19          1HG2      ILE  19   7.531  -4.490  -2.589
  195   1HD1  ILE  19          3HD1      ILE  19   5.924  -5.877  -6.145
  196   2HD1  ILE  19          1HD1      ILE  19   7.049  -7.009  -6.931
  197   3HD1  ILE  19          2HD1      ILE  19   6.826  -7.058  -5.179
  198    QG1  ILE  19           QG1      ILE  19   8.527  -5.399  -6.291
  199    QG2  ILE  19           QG2      ILE  19   7.260  -5.302  -3.145
  200    QD1  ILE  19           QD1      ILE  19   6.600  -6.648  -6.085
  201    H    ARG  20           HN       ARG  20   4.604  -2.911  -3.836
  202    HA   ARG  20           HA       ARG  20   5.715  -1.051  -1.830
  203   1HB   ARG  20          2HB       ARG  20   3.171  -0.658  -3.503
  204   2HB   ARG  20          3HB       ARG  20   3.574   0.264  -2.051
  205   1HG   ARG  20          2HG       ARG  20   5.218   0.299  -4.579
  206   2HG   ARG  20          3HG       ARG  20   4.103   1.548  -4.039
  207   1HD   ARG  20          2HD       ARG  20   5.766   2.496  -2.828
  208   2HD   ARG  20          3HD       ARG  20   5.719   1.120  -1.773
  209    HE   ARG  20           HE       ARG  20   7.234   0.040  -3.617
  210   1HH1  ARG  20          2HH2      ARG  20   7.490   3.083  -1.938
  211   2HH1  ARG  20          1HH2      ARG  20   9.198   3.299  -2.211
  212   1HH2  ARG  20          2HH1      ARG  20   9.421   0.273  -4.110
  213   2HH2  ARG  20          1HH1      ARG  20  10.347   1.619  -3.514
  214    QB   ARG  20           QB       ARG  20   3.373  -0.197  -2.777
  215    QG   ARG  20           QG       ARG  20   4.660   0.924  -4.309
  216    QD   ARG  20           QD       ARG  20   5.742   1.808  -2.301
  217    QH1  ARG  20           QH2      ARG  20   8.344   3.191  -2.075
  218    QH2  ARG  20           QH1      ARG  20   9.884   0.946  -3.812
  219    H    TYR  21           HN       TYR  21   3.767  -0.615  -0.207
  220    HA   TYR  21           HA       TYR  21   2.578  -3.217   0.455
  221   1HB   TYR  21          2HB       TYR  21   3.971  -1.318   2.339
  222   2HB   TYR  21          3HB       TYR  21   3.346  -2.812   2.868
  223    HD1  TYR  21           HD1      TYR  21   5.974  -1.459   0.486
  224    HD2  TYR  21           HD2      TYR  21   4.900  -4.480   3.353
  225    HE1  TYR  21           HE1      TYR  21   7.959  -2.733  -0.148
  226    HE2  TYR  21           HE2      TYR  21   7.101  -5.566   2.979
  227    HH   TYR  21           HH       TYR  21   9.315  -4.490   0.386
  228    QB   TYR  21           QB       TYR  21   3.659  -2.065   2.603
  229    QR   TYR  21           QR       TYR  21   6.483  -3.560   1.668
  230    H    PHE  22           HN       PHE  22   1.213  -2.906   2.493
  231    HA   PHE  22           HA       PHE  22  -0.287  -0.441   2.691
  232   1HB   PHE  22          2HB       PHE  22  -2.240  -1.024   1.471
  233   2HB   PHE  22          3HB       PHE  22  -0.925  -1.096   0.358
  234    HD1  PHE  22          2HD       PHE  22   0.176  -3.733   0.410
  235    HD2  PHE  22          1HD       PHE  22  -3.922  -2.596   1.153
  236    HE1  PHE  22          2HE       PHE  22  -0.574  -5.964  -0.314
  237    HE2  PHE  22          1HE       PHE  22  -4.639  -4.897   0.618
  238    HZ   PHE  22           HZ       PHE  22  -2.967  -6.592  -0.122
  239    QB   PHE  22           QB       PHE  22  -1.583  -1.060   0.914
  240    QR   PHE  22           QR       PHE  22  -2.240  -4.297   0.467
  241    H    TYR  23           HN       TYR  23  -1.983  -0.565   4.220
  242    HA   TYR  23           HA       TYR  23  -1.760  -2.763   6.139
  243   1HB   TYR  23          2HB       TYR  23  -2.113  -0.486   6.883
  244   2HB   TYR  23          3HB       TYR  23  -3.571  -0.338   5.931
  245    HD1  TYR  23           HD1      TYR  23  -2.063  -1.789   8.968
  246    HD2  TYR  23           HD2      TYR  23  -5.720  -1.324   6.726
  247    HE1  TYR  23           HE1      TYR  23  -3.382  -2.547  10.930
  248    HE2  TYR  23           HE2      TYR  23  -7.016  -2.076   8.666
  249    HH   TYR  23           HH       TYR  23  -6.940  -2.409  10.949
  250    QB   TYR  23           QB       TYR  23  -2.842  -0.412   6.407
  251    QR   TYR  23           QR       TYR  23  -4.545  -1.934   8.823
  252    H    ASN  24           HN       ASN  24  -2.364  -4.672   5.049
  253    HA   ASN  24           HA       ASN  24  -4.918  -4.744   3.577
  254   1HB   ASN  24          2HB       ASN  24  -3.183  -6.146   2.845
  255   2HB   ASN  24          3HB       ASN  24  -3.019  -6.956   4.413
  256   1HD2  ASN  24          2HD2      ASN  24  -5.038  -9.232   2.323
  257   2HD2  ASN  24          1HD2      ASN  24  -3.374  -8.761   2.539
  258    QB   ASN  24           QB       ASN  24  -3.101  -6.551   3.629
  259    QD2  ASN  24           QD2      ASN  24  -4.206  -8.997   2.431
  260    H    ALA  25           HN       ALA  25  -6.549  -4.181   5.003
  261    HA   ALA  25           HA       ALA  25  -6.886  -5.165   7.629
  262   1HB   ALA  25          1HB       ALA  25  -8.268  -3.388   6.049
  263   2HB   ALA  25          2HB       ALA  25  -9.400  -4.754   6.102
  264   3HB   ALA  25          3HB       ALA  25  -8.822  -4.027   7.609
  265    QB   ALA  25           QB       ALA  25  -8.830  -4.056   6.587
  266    H    LYS  26           HN       LYS  26  -6.970  -6.965   4.696
  267    HA   LYS  26           HA       LYS  26  -8.944  -8.928   5.676
  268   1HB   LYS  26          2HB       LYS  26  -8.303  -8.039   3.187
  269   2HB   LYS  26          3HB       LYS  26  -7.274  -9.466   3.247
  270   1HG   LYS  26          2HG       LYS  26 -10.256  -9.404   3.915
  271   2HG   LYS  26          3HG       LYS  26  -9.696  -9.616   2.272
  272   1HD   LYS  26          2HD       LYS  26  -8.663 -11.524   4.400
  273   2HD   LYS  26          3HD       LYS  26 -10.315 -11.677   3.845
  274   1HE   LYS  26          2HE       LYS  26  -8.877 -13.162   2.582
  275   2HE   LYS  26          3HE       LYS  26  -9.596 -11.951   1.512
  276   1HZ   LYS  26          2HZ       LYS  26  -6.911 -11.631   2.655
  277   2HZ   LYS  26          3HZ       LYS  26  -7.166 -12.431   1.240
  278   3HZ   LYS  26          1HZ       LYS  26  -7.571 -10.841   1.366
  279    QB   LYS  26           QB       LYS  26  -7.788  -8.752   3.217
  280    QG   LYS  26           QG       LYS  26  -9.976  -9.510   3.093
  281    QD   LYS  26           QD       LYS  26  -9.489 -11.601   4.123
  282    QE   LYS  26           QE       LYS  26  -9.236 -12.556   2.047
  283    QZ   LYS  26           QZ       LYS  26  -7.216 -11.634   1.754
  284    H    ALA  27           HN       ALA  27  -5.464  -8.393   5.580
  285    HA   ALA  27           HA       ALA  27  -4.875 -11.183   6.477
  286   1HB   ALA  27          1HB       ALA  27  -3.217  -8.901   5.422
  287   2HB   ALA  27          2HB       ALA  27  -2.474 -10.149   6.432
  288   3HB   ALA  27          3HB       ALA  27  -3.288 -10.604   4.924
  289    QB   ALA  27           QB       ALA  27  -2.993  -9.884   5.593
  290    H    GLY  28           HN       GLY  28  -4.713  -7.784   7.503
  291   1HA   GLY  28          1HA       GLY  28  -5.163  -7.036   9.685
  292   2HA   GLY  28          2HA       GLY  28  -4.691  -8.598  10.354
  293    QA   GLY  28           QA       GLY  28  -4.927  -7.817  10.020
  294    H    LEU  29           HN       LEU  29  -2.737  -6.784   7.921
  295    HA   LEU  29           HA       LEU  29  -0.938  -5.548   9.719
  296   1HB   LEU  29          2HB       LEU  29   1.009  -7.065   9.542
  297   2HB   LEU  29          3HB       LEU  29  -0.312  -7.779  10.407
  298    HG   LEU  29           HG       LEU  29  -0.951  -8.778   7.972
  299   1HD1  LEU  29          2HD1      LEU  29   1.985  -8.048   7.776
  300   2HD1  LEU  29          3HD1      LEU  29   1.400  -9.545   7.044
  301   3HD1  LEU  29          1HD1      LEU  29   0.712  -8.002   6.536
  302   1HD2  LEU  29          2HD2      LEU  29  -0.438  -9.989  10.130
  303   2HD2  LEU  29          3HD2      LEU  29  -0.002 -10.819   8.634
  304   3HD2  LEU  29          1HD2      LEU  29   1.263 -10.030   9.606
  305    QB   LEU  29           QB       LEU  29   0.349  -7.422   9.974
  306    QD1  LEU  29           QD1      LEU  29   1.365  -8.532   7.119
  307    QD2  LEU  29           QD2      LEU  29   0.274 -10.279   9.457
  308    QQD  LEU  29           QQD      LEU  29   0.820  -9.405   8.288
  309    H    CYS  30           HN       CYS  30   1.464  -5.481   8.298
  310    HA   CYS  30           HA       CYS  30   0.455  -4.004   5.944
  311   1HB   CYS  30          2HB       CYS  30   3.194  -4.236   7.168
  312   2HB   CYS  30          3HB       CYS  30   2.761  -3.172   5.816
  313    QB   CYS  30           QB       CYS  30   2.978  -3.704   6.492
  314    H    GLN  31           HN       GLN  31   0.432  -4.880   3.933
  315    HA   GLN  31           HA       GLN  31   2.006  -7.407   3.474
  316   1HB   GLN  31          2HB       GLN  31  -0.823  -6.638   2.871
  317   2HB   GLN  31          3HB       GLN  31   0.051  -7.360   1.526
  318   1HG   GLN  31          2HG       GLN  31   0.795  -9.232   3.038
  319   2HG   GLN  31          3HG       GLN  31  -0.341  -8.606   4.254
  320   1HE2  GLN  31          2HE2      GLN  31  -2.250 -11.208   2.520
  321   2HE2  GLN  31          1HE2      GLN  31  -1.071 -11.015   3.802
  322    QB   GLN  31           QB       GLN  31  -0.386  -6.999   2.199
  323    QG   GLN  31           QG       GLN  31   0.227  -8.919   3.646
  324    QE2  GLN  31           QE2      GLN  31  -1.660 -11.111   3.161
  325    H    THR  32           HN       THR  32   2.068  -7.680   0.833
  326    HA   THR  32           HA       THR  32   3.451  -5.192  -0.062
  327    HB   THR  32           HB       THR  32   5.255  -6.452  -0.875
  328    HG1  THR  32          1HG       THR  32   3.536  -8.645  -0.538
  329   1HG2  THR  32          1HG2      THR  32   4.844  -6.367   1.811
  330   2HG2  THR  32          2HG2      THR  32   4.883  -8.113   1.610
  331   3HG2  THR  32          3HG2      THR  32   6.270  -7.139   1.087
  332    QG2  THR  32           QG2      THR  32   5.332  -7.206   1.503
  333    H    PHE  33           HN       PHE  33   3.399  -4.994  -2.485
  334    HA   PHE  33           HA       PHE  33   2.080  -6.965  -4.130
  335   1HB   PHE  33          2HB       PHE  33   0.087  -5.765  -4.651
  336   2HB   PHE  33          3HB       PHE  33   0.126  -5.824  -2.905
  337    HD1  PHE  33          2HD       PHE  33   1.023  -3.750  -1.637
  338    HD2  PHE  33          1HD       PHE  33   0.038  -3.704  -5.815
  339    HE1  PHE  33          2HE       PHE  33   0.538  -1.316  -1.503
  340    HE2  PHE  33          1HE       PHE  33  -0.302  -1.272  -5.730
  341    HZ   PHE  33           HZ       PHE  33  -0.112  -0.069  -3.556
  342    QB   PHE  33           QB       PHE  33   0.106  -5.795  -3.778
  343    QR   PHE  33           QR       PHE  33   0.324  -2.510  -3.671
  344    H    VAL  34           HN       VAL  34   1.925  -6.024  -6.435
  345    HA   VAL  34           HA       VAL  34   4.233  -4.232  -6.985
  346    HB   VAL  34           HB       VAL  34   2.378  -5.915  -8.719
  347   1HG1  VAL  34          3HG1      VAL  34   4.448  -3.823  -9.424
  348   2HG1  VAL  34          1HG1      VAL  34   4.235  -5.250 -10.466
  349   3HG1  VAL  34          2HG1      VAL  34   2.879  -4.146 -10.179
  350   1HG2  VAL  34          2HG2      VAL  34   4.231  -7.037  -7.300
  351   2HG2  VAL  34          3HG2      VAL  34   4.198  -7.377  -9.031
  352   3HG2  VAL  34          1HG2      VAL  34   5.369  -6.209  -8.391
  353    QG1  VAL  34           QG1      VAL  34   3.854  -4.406 -10.023
  354    QG2  VAL  34           QG2      VAL  34   4.599  -6.875  -8.241
  355    QQG  VAL  34           QQG      VAL  34   4.227  -5.641  -9.132
  356    H    TYR  35           HN       TYR  35   3.874  -2.060  -7.317
  357    HA   TYR  35           HA       TYR  35   1.124  -1.051  -7.822
  358   1HB   TYR  35          2HB       TYR  35   1.908  -0.322  -5.658
  359   2HB   TYR  35          3HB       TYR  35   3.516  -0.051  -6.260
  360    HD1  TYR  35           HD1      TYR  35   0.040   1.270  -6.538
  361    HD2  TYR  35           HD2      TYR  35   4.249   2.029  -6.969
  362    HE1  TYR  35           HE1      TYR  35  -0.435   3.636  -7.191
  363    HE2  TYR  35           HE2      TYR  35   3.773   4.446  -7.283
  364    HH   TYR  35           HH       TYR  35   0.561   5.430  -8.328
  365    QB   TYR  35           QB       TYR  35   2.712  -0.186  -5.959
  366    QR   TYR  35           QR       TYR  35   1.907   2.845  -6.995
  367    H    GLY  36           HN       GLY  36   0.941   0.337  -9.614
  368   1HA   GLY  36          1HA       GLY  36   2.585   0.178 -11.781
  369   2HA   GLY  36          2HA       GLY  36   1.478   1.506 -11.513
  370    QA   GLY  36           QA       GLY  36   2.032   0.842 -11.647
  371    H    GLY  37           HN       GLY  37   2.225   3.328 -10.113
  372   1HA   GLY  37          1HA       GLY  37   4.717   3.974  -9.288
  373   2HA   GLY  37          2HA       GLY  37   4.904   4.177 -11.032
  374    QA   GLY  37           QA       GLY  37   4.810   4.075 -10.160
  375    H    CYS  38           HN       CYS  38   2.121   4.997 -11.365
  376    HA   CYS  38           HA       CYS  38   2.305   7.813 -10.403
  377   1HB   CYS  38          2HB       CYS  38   0.624   7.909 -12.553
  378   2HB   CYS  38          3HB       CYS  38   2.335   8.303 -12.568
  379    QB   CYS  38           QB       CYS  38   1.480   8.106 -12.561
  380    H    ARG  39           HN       ARG  39   0.315   8.824  -9.872
  381    HA   ARG  39           HA       ARG  39  -1.668   8.947  -8.718
  382   1HB   ARG  39          2HB       ARG  39  -2.439   6.538 -10.421
  383   2HB   ARG  39          3HB       ARG  39  -3.547   7.589  -9.553
  384   1HG   ARG  39          2HG       ARG  39  -1.733   8.471 -11.864
  385   2HG   ARG  39          3HG       ARG  39  -3.440   8.064 -11.965
  386   1HD   ARG  39          2HD       ARG  39  -3.469  10.392 -11.853
  387   2HD   ARG  39          3HD       ARG  39  -3.886   9.852 -10.216
  388    HE   ARG  39           HE       ARG  39  -1.040  10.449 -10.827
  389   1HH1  ARG  39          2HH2      ARG  39  -4.051  11.758  -9.530
  390   2HH1  ARG  39          1HH2      ARG  39  -3.294  12.975  -8.555
  391   1HH2  ARG  39          2HH1      ARG  39   0.007  12.083  -9.550
  392   2HH2  ARG  39          1HH1      ARG  39  -0.937  13.167  -8.590
  393    QB   ARG  39           QB       ARG  39  -2.993   7.064  -9.987
  394    QG   ARG  39           QG       ARG  39  -2.586   8.268 -11.915
  395    QD   ARG  39           QD       ARG  39  -3.677  10.122 -11.035
  396    QH1  ARG  39           QH2      ARG  39  -3.672  12.366  -9.043
  397    QH2  ARG  39           QH1      ARG  39  -0.465  12.625  -9.070
  398    H    ALA  40           HN       ALA  40   0.198   8.033  -7.183
  399    HA   ALA  40           HA       ALA  40  -0.451   5.499  -5.968
  400   1HB   ALA  40          1HB       ALA  40   1.622   7.530  -5.671
  401   2HB   ALA  40          2HB       ALA  40   0.982   7.042  -4.086
  402   3HB   ALA  40          3HB       ALA  40   1.627   5.826  -5.193
  403    QB   ALA  40           QB       ALA  40   1.410   6.799  -4.983
  404    H    LYS  41           HN       LYS  41  -1.575   5.019  -4.204
  405    HA   LYS  41           HA       LYS  41  -3.645   6.955  -3.375
  406   1HB   LYS  41          2HB       LYS  41  -3.179   4.020  -2.703
  407   2HB   LYS  41          3HB       LYS  41  -4.608   4.951  -2.241
  408   1HG   LYS  41          2HG       LYS  41  -3.788   4.502  -5.150
  409   2HG   LYS  41          3HG       LYS  41  -4.856   3.451  -4.225
  410   1HD   LYS  41          2HD       LYS  41  -5.870   6.098  -3.826
  411   2HD   LYS  41          3HD       LYS  41  -5.438   5.988  -5.539
  412   1HE   LYS  41          2HE       LYS  41  -6.754   3.854  -5.703
  413   2HE   LYS  41          3HE       LYS  41  -7.185   3.993  -3.986
  414   1HZ   LYS  41          3HZ       LYS  41  -7.916   5.985  -6.026
  415   2HZ   LYS  41          1HZ       LYS  41  -8.892   4.764  -5.510
  416   3HZ   LYS  41          2HZ       LYS  41  -8.425   5.926  -4.453
  417    QB   LYS  41           QB       LYS  41  -3.894   4.486  -2.472
  418    QG   LYS  41           QG       LYS  41  -4.322   3.976  -4.688
  419    QD   LYS  41           QD       LYS  41  -5.654   6.043  -4.683
  420    QE   LYS  41           QE       LYS  41  -6.970   3.923  -4.844
  421    QZ   LYS  41           QZ       LYS  41  -8.411   5.558  -5.329
  422    H    ARG  42           HN       ARG  42  -4.134   6.549  -0.894
  423    HA   ARG  42           HA       ARG  42  -1.828   7.716   0.470
  424   1HB   ARG  42          2HB       ARG  42  -4.483   7.038   1.748
  425   2HB   ARG  42          3HB       ARG  42  -3.265   8.263   2.143
  426   1HG   ARG  42          2HG       ARG  42  -3.905   9.418  -0.051
  427   2HG   ARG  42          3HG       ARG  42  -5.149   8.180  -0.275
  428   1HD   ARG  42          2HD       ARG  42  -6.368   9.894   0.602
  429   2HD   ARG  42          3HD       ARG  42  -6.116   8.887   2.011
  430    HE   ARG  42           HE       ARG  42  -5.041  11.558   1.362
  431   1HH1  ARG  42          2HH2      ARG  42  -4.685   8.805   3.511
  432   2HH1  ARG  42          1HH2      ARG  42  -3.785   9.638   4.720
  433   1HH2  ARG  42          2HH1      ARG  42  -3.919  12.762   3.039
  434   2HH2  ARG  42          1HH1      ARG  42  -3.412  11.936   4.477
  435    QB   ARG  42           QB       ARG  42  -3.874   7.651   1.945
  436    QG   ARG  42           QG       ARG  42  -4.527   8.799  -0.163
  437    QD   ARG  42           QD       ARG  42  -6.242   9.391   1.307
  438    QH1  ARG  42           QH2      ARG  42  -4.235   9.222   4.116
  439    QH2  ARG  42           QH1      ARG  42  -3.666  12.349   3.758
  440    H    ASN  43           HN       ASN  43  -3.671   4.685   0.497
  441    HA   ASN  43           HA       ASN  43  -2.185   3.544   2.771
  442   1HB   ASN  43          2HB       ASN  43  -4.491   2.934   2.420
  443   2HB   ASN  43          3HB       ASN  43  -4.207   2.358   0.800
  444   1HD2  ASN  43          2HD2      ASN  43  -4.296  -0.703   2.675
  445   2HD2  ASN  43          1HD2      ASN  43  -5.101   0.324   1.524
  446    QB   ASN  43           QB       ASN  43  -4.349   2.646   1.610
  447    QD2  ASN  43           QD2      ASN  43  -4.699  -0.189   2.099
  448    H    ASN  44           HN       ASN  44  -0.104   4.163   1.607
  449    HA   ASN  44           HA       ASN  44   0.741   1.739   0.346
  450   1HB   ASN  44          2HB       ASN  44  -0.154   3.500  -1.487
  451   2HB   ASN  44          3HB       ASN  44   1.482   4.150  -1.306
  452   1HD2  ASN  44          2HD2      ASN  44   2.006   1.767  -3.980
  453   2HD2  ASN  44          1HD2      ASN  44   1.758   3.473  -3.634
  454    QB   ASN  44           QB       ASN  44   0.664   3.825  -1.397
  455    QD2  ASN  44           QD2      ASN  44   1.882   2.620  -3.807
  456    H    PHE  45           HN       PHE  45   2.641   1.196   1.264
  457    HA   PHE  45           HA       PHE  45   4.489   3.388   2.123
  458   1HB   PHE  45          2HB       PHE  45   4.127   0.738   3.512
  459   2HB   PHE  45          3HB       PHE  45   4.939   2.162   4.101
  460    HD1  PHE  45          2HD       PHE  45   3.437   4.330   4.450
  461    HD2  PHE  45          1HD       PHE  45   1.783   0.393   3.862
  462    HE1  PHE  45          2HE       PHE  45   1.288   5.067   5.401
  463    HE2  PHE  45          1HE       PHE  45  -0.276   1.079   5.064
  464    HZ   PHE  45           HZ       PHE  45  -0.481   3.394   5.951
  465    QB   PHE  45           QB       PHE  45   4.533   1.450   3.806
  466    QR   PHE  45           QR       PHE  45   1.558   2.717   4.694
  467    H    LYS  46           HN       LYS  46   6.628   2.354   2.685
  468    HA   LYS  46           HA       LYS  46   7.574   0.964   0.248
  469   1HB   LYS  46          2HB       LYS  46   9.419   2.207   2.303
  470   2HB   LYS  46          3HB       LYS  46   9.580   2.018   0.563
  471   1HG   LYS  46          2HG       LYS  46   9.364   4.207   0.966
  472   2HG   LYS  46          3HG       LYS  46   7.758   3.814   0.319
  473   1HD   LYS  46          2HD       LYS  46   6.732   4.459   2.285
  474   2HD   LYS  46          3HD       LYS  46   8.008   3.803   3.322
  475   1HE   LYS  46          2HE       LYS  46   8.706   6.231   1.672
  476   2HE   LYS  46          3HE       LYS  46   7.539   6.450   2.978
  477   1HZ   LYS  46          2HZ       LYS  46  10.114   5.137   3.473
  478   2HZ   LYS  46          3HZ       LYS  46   9.867   6.761   3.660
  479   3HZ   LYS  46          1HZ       LYS  46   8.999   5.688   4.546
  480    QB   LYS  46           QB       LYS  46   9.500   2.112   1.433
  481    QG   LYS  46           QG       LYS  46   8.561   4.011   0.642
  482    QD   LYS  46           QD       LYS  46   7.370   4.131   2.803
  483    QE   LYS  46           QE       LYS  46   8.123   6.341   2.325
  484    QZ   LYS  46           QZ       LYS  46   9.660   5.862   3.893
  485    H    SER  47           HN       SER  47   7.666   1.013   3.793
  486    HA   SER  47           HA       SER  47   8.417  -1.879   3.842
  487   1HB   SER  47          2HB       SER  47   9.918  -1.514   5.736
  488   2HB   SER  47          3HB       SER  47  10.449  -0.572   4.337
  489    HG   SER  47           HG       SER  47  10.472   0.838   6.031
  490    QB   SER  47           QB       SER  47  10.184  -1.043   5.037
  491    H    ALA  48           HN       ALA  48   7.737  -3.047   5.669
  492    HA   ALA  48           HA       ALA  48   5.153  -2.439   6.625
  493   1HB   ALA  48          2HB       ALA  48   7.219  -4.420   7.632
  494   2HB   ALA  48          3HB       ALA  48   5.539  -4.332   8.197
  495   3HB   ALA  48          1HB       ALA  48   5.876  -4.721   6.499
  496    QB   ALA  48           QB       ALA  48   6.211  -4.491   7.443
  497    H    GLU  49           HN       GLU  49   8.390  -1.905   8.024
  498    HA   GLU  49           HA       GLU  49   7.659  -1.143  10.625
  499   1HB   GLU  49          2HB       GLU  49   9.965  -1.528   9.926
  500   2HB   GLU  49          3HB       GLU  49   9.946  -0.106   8.870
  501   1HG   GLU  49          2HG       GLU  49   9.910   1.394  10.692
  502   2HG   GLU  49          3HG       GLU  49   9.296   0.170  11.819
  503    QB   GLU  49           QB       GLU  49   9.955  -0.817   9.398
  504    QG   GLU  49           QG       GLU  49   9.603   0.782  11.255
  505    H    ASP  50           HN       ASP  50   8.051   0.915   7.695
  506    HA   ASP  50           HA       ASP  50   7.223   3.293   9.022
  507   1HB   ASP  50          2HB       ASP  50   8.486   2.849   6.695
  508   2HB   ASP  50          3HB       ASP  50   6.848   2.960   6.040
  509    QB   ASP  50           QB       ASP  50   7.667   2.905   6.368
  510    H    CYS  51           HN       CYS  51   5.535   0.979   6.896
  511    HA   CYS  51           HA       CYS  51   2.971   2.068   6.764
  512   1HB   CYS  51          2HB       CYS  51   3.569   0.001   5.562
  513   2HB   CYS  51          3HB       CYS  51   3.887  -0.790   7.080
  514    QB   CYS  51           QB       CYS  51   3.728  -0.395   6.321
  515    H    MET  52           HN       MET  52   4.063  -0.238   9.284
  516    HA   MET  52           HA       MET  52   1.737   0.015  10.928
  517   1HB   MET  52          2HB       MET  52   4.572  -0.957  11.269
  518   2HB   MET  52          3HB       MET  52   3.642  -0.625  12.725
  519   1HG   MET  52          2HG       MET  52   2.170  -2.226  10.698
  520   2HG   MET  52          3HG       MET  52   3.598  -2.984  11.393
  521   1HE   MET  52          2HE       MET  52   2.587  -4.835  12.309
  522   2HE   MET  52          3HE       MET  52   3.343  -4.332  13.844
  523   3HE   MET  52          1HE       MET  52   1.654  -4.891  13.820
  524    QB   MET  52           QB       MET  52   4.107  -0.791  11.997
  525    QG   MET  52           QG       MET  52   2.884  -2.605  11.046
  526    QE   MET  52           QE       MET  52   2.528  -4.686  13.324
  527    H    ARG  53           HN       ARG  53   4.993   1.585  11.266
  528    HA   ARG  53           HA       ARG  53   4.363   3.151  13.468
  529   1HB   ARG  53          2HB       ARG  53   6.587   2.928  12.501
  530   2HB   ARG  53          3HB       ARG  53   6.116   3.893  11.085
  531   1HG   ARG  53          2HG       ARG  53   5.704   5.862  12.547
  532   2HG   ARG  53          3HG       ARG  53   6.019   4.865  13.973
  533   1HD   ARG  53          2HD       ARG  53   8.070   5.826  13.761
  534   2HD   ARG  53          3HD       ARG  53   8.336   4.402  12.727
  535    HE   ARG  53           HE       ARG  53   7.277   6.512  11.128
  536   1HH1  ARG  53          2HH2      ARG  53  10.200   5.586  12.832
  537   2HH1  ARG  53          1HH2      ARG  53  11.279   6.597  11.923
  538   1HH2  ARG  53          2HH1      ARG  53   8.645   7.883   9.873
  539   2HH2  ARG  53          1HH1      ARG  53  10.344   7.995  10.215
  540    QB   ARG  53           QB       ARG  53   6.352   3.411  11.793
  541    QG   ARG  53           QG       ARG  53   5.861   5.363  13.260
  542    QD   ARG  53           QD       ARG  53   8.203   5.114  13.244
  543    QH1  ARG  53           QH2      ARG  53  10.740   6.092  12.377
  544    QH2  ARG  53           QH1      ARG  53   9.495   7.939  10.044
  545    H    THR  54           HN       THR  54   3.539   3.754  10.089
  546    HA   THR  54           HA       THR  54   2.363   6.360  10.497
  547    HB   THR  54           HB       THR  54   2.323   4.298   8.264
  548    HG1  THR  54          1HG       THR  54   4.176   5.444   8.497
  549   1HG2  THR  54          1HG2      THR  54   0.529   6.670   8.602
  550   2HG2  THR  54          2HG2      THR  54   1.320   6.463   7.041
  551   3HG2  THR  54          3HG2      THR  54   0.308   5.156   7.703
  552    QG2  THR  54           QG2      THR  54   0.719   6.096   7.782
  553    H    CYS  55           HN       CYS  55   0.911   3.067  10.053
  554    HA   CYS  55           HA       CYS  55  -1.696   4.222  10.901
  555   1HB   CYS  55          2HB       CYS  55  -0.990   2.297   8.934
  556   2HB   CYS  55          3HB       CYS  55  -1.969   1.448  10.139
  557    QB   CYS  55           QB       CYS  55  -1.479   1.872   9.536
  558    H    GLY  56           HN       GLY  56  -0.129   1.109  11.481
  559   1HA   GLY  56          1HA       GLY  56  -0.192  -0.308  13.338
  560   2HA   GLY  56          2HA       GLY  56   0.649   1.109  13.974
  561    QA   GLY  56           QA       GLY  56   0.228   0.400  13.656
  562    H    GLY  57           HN       GLY  57  -2.489  -0.497  13.736
  563   1HA   GLY  57          1HA       GLY  57  -3.975   1.437  15.274
  564   2HA   GLY  57          2HA       GLY  57  -4.476  -0.212  14.886
  565    QA   GLY  57           QA       GLY  57  -4.226   0.612  15.080
  566    H    ALA  58           HN       ALA  58  -2.197   1.461  16.994
  567    HA   ALA  58           HA       ALA  58  -1.516   1.184  19.081
  568   1HB   ALA  58          3HB       ALA  58  -3.967   1.660  19.468
  569   2HB   ALA  58          1HB       ALA  58  -4.211  -0.084  19.696
  570   3HB   ALA  58          2HB       ALA  58  -3.132   0.817  20.788
  571    QB   ALA  58           QB       ALA  58  -3.770   0.798  19.984
   
  No H/Q in entry =         571
  Start of MODEL    4
    1    H    ARG   1           HN       ARG   1  -6.829   6.170  14.115
    2    HA   ARG   1           HA       ARG   1  -4.718   5.054  12.364
    3   1HB   ARG   1          2HB       ARG   1  -5.686   3.385  14.015
    4   2HB   ARG   1          3HB       ARG   1  -7.257   3.606  13.231
    5   1HG   ARG   1          2HG       ARG   1  -5.465   3.103  11.103
    6   2HG   ARG   1          3HG       ARG   1  -4.895   2.078  12.419
    7   1HD   ARG   1          2HD       ARG   1  -7.208   1.071  12.605
    8   2HD   ARG   1          3HD       ARG   1  -7.713   2.079  11.266
    9    HE   ARG   1           HE       ARG   1  -5.665  -0.116  11.307
   10   1HH1  ARG   1          2HH2      ARG   1  -7.239   2.402   9.308
   11   2HH1  ARG   1          1HH2      ARG   1  -7.095   1.475   7.880
   12   1HH2  ARG   1          2HH1      ARG   1  -5.336  -1.231   9.341
   13   2HH2  ARG   1          1HH1      ARG   1  -5.753  -0.476   7.837
   14    QB   ARG   1           QB       ARG   1  -6.471   3.496  13.623
   15    QG   ARG   1           QG       ARG   1  -5.180   2.591  11.761
   16    QD   ARG   1           QD       ARG   1  -7.460   1.575  11.935
   17    QH1  ARG   1           QH2      ARG   1  -7.167   1.938   8.594
   18    QH2  ARG   1           QH1      ARG   1  -5.545  -0.853   8.589
   19    HA   PRO   2           HA       PRO   2  -7.799   7.110   9.715
   20   1HB   PRO   2          2HB       PRO   2  -6.480   6.824   7.269
   21   2HB   PRO   2          3HB       PRO   2  -6.292   8.165   8.415
   22   1HG   PRO   2          2HG       PRO   2  -4.436   5.932   7.833
   23   2HG   PRO   2          3HG       PRO   2  -4.091   7.486   8.617
   24   1HD   PRO   2          2HD       PRO   2  -4.381   4.965   9.906
   25   2HD   PRO   2          3HD       PRO   2  -4.258   6.572  10.676
   26    QB   PRO   2           QB       PRO   2  -6.386   7.494   7.842
   27    QG   PRO   2           QG       PRO   2  -4.264   6.709   8.225
   28    QD   PRO   2           QD       PRO   2  -4.319   5.769  10.291
   29    H    ASP   3           HN       ASP   3  -9.065   6.655   7.774
   30    HA   ASP   3           HA       ASP   3 -10.033   3.965   7.546
   31   1HB   ASP   3          2HB       ASP   3 -11.590   5.815   7.462
   32   2HB   ASP   3          3HB       ASP   3 -10.661   6.618   6.179
   33    QB   ASP   3           QB       ASP   3 -11.125   6.216   6.820
   34    H    PHE   4           HN       PHE   4  -8.101   6.163   5.505
   35    HA   PHE   4           HA       PHE   4  -8.131   4.523   3.187
   36   1HB   PHE   4          2HB       PHE   4  -6.288   5.708   2.364
   37   2HB   PHE   4          3HB       PHE   4  -7.318   6.854   3.198
   38    HD1  PHE   4          1HD       PHE   4  -4.140   4.866   3.455
   39    HD2  PHE   4          2HD       PHE   4  -6.425   8.171   5.022
   40    HE1  PHE   4          1HE       PHE   4  -2.194   5.568   4.800
   41    HE2  PHE   4          2HE       PHE   4  -4.475   8.851   6.396
   42    HZ   PHE   4           HZ       PHE   4  -2.395   7.499   6.357
   43    QB   PHE   4           QB       PHE   4  -6.803   6.281   2.781
   44    QR   PHE   4           QR       PHE   4  -4.309   6.864   4.918
   45    H    CYS   5           HN       CYS   5  -6.491   4.028   6.244
   46    HA   CYS   5           HA       CYS   5  -4.461   2.232   5.137
   47   1HB   CYS   5          2HB       CYS   5  -5.314   3.096   7.878
   48   2HB   CYS   5          3HB       CYS   5  -4.408   1.590   7.723
   49    QB   CYS   5           QB       CYS   5  -4.861   2.343   7.800
   50    H    LEU   6           HN       LEU   6  -7.782   1.871   5.051
   51    HA   LEU   6           HA       LEU   6  -7.458  -1.094   5.153
   52   1HB   LEU   6          2HB       LEU   6 -10.068   0.428   5.372
   53   2HB   LEU   6          3HB       LEU   6  -9.791  -1.304   5.572
   54    HG   LEU   6           HG       LEU   6  -8.071  -0.167   7.429
   55   1HD1  LEU   6          3HD1      LEU   6 -10.652   1.445   7.370
   56   2HD1  LEU   6          1HD1      LEU   6  -9.632   1.314   8.816
   57   3HD1  LEU   6          2HD1      LEU   6  -8.975   2.020   7.353
   58   1HD2  LEU   6          3HD2      LEU   6  -9.325  -2.173   7.898
   59   2HD2  LEU   6          1HD2      LEU   6  -9.426  -0.989   9.186
   60   3HD2  LEU   6          2HD2      LEU   6 -10.810  -1.203   8.081
   61    QB   LEU   6           QB       LEU   6  -9.929  -0.438   5.472
   62    QD1  LEU   6           QD1      LEU   6  -9.753   1.593   7.846
   63    QD2  LEU   6           QD2      LEU   6  -9.854  -1.455   8.388
   64    QQD  LEU   6           QQD      LEU   6  -9.803   0.069   8.117
   65    H    GLU   7           HN       GLU   7  -7.300   1.461   2.940
   66    HA   GLU   7           HA       GLU   7  -9.243   0.483   1.084
   67   1HB   GLU   7          2HB       GLU   7  -8.498   2.205  -0.342
   68   2HB   GLU   7          3HB       GLU   7  -8.699   2.832   1.286
   69   1HG   GLU   7          2HG       GLU   7  -6.652   3.697   1.144
   70   2HG   GLU   7          3HG       GLU   7  -5.965   2.062   1.034
   71    QB   GLU   7           QB       GLU   7  -8.599   2.518   0.472
   72    QG   GLU   7           QG       GLU   7  -6.309   2.879   1.089
   73    HA   PRO   8           HA       PRO   8  -6.877  -2.563  -0.844
   74   1HB   PRO   8          2HB       PRO   8  -7.965  -2.796  -3.373
   75   2HB   PRO   8          3HB       PRO   8  -8.835  -3.203  -1.865
   76   1HG   PRO   8          2HG       PRO   8  -8.917  -0.585  -3.402
   77   2HG   PRO   8          3HG       PRO   8 -10.306  -1.576  -2.852
   78   1HD   PRO   8          2HD       PRO   8  -9.439   0.539  -1.426
   79   2HD   PRO   8          3HD       PRO   8  -9.946  -0.957  -0.590
   80    QB   PRO   8           QB       PRO   8  -8.400  -2.999  -2.619
   81    QG   PRO   8           QG       PRO   8  -9.612  -1.081  -3.127
   82    QD   PRO   8           QD       PRO   8  -9.693  -0.209  -1.008
   83    HA   PRO   9           HA       PRO   9  -3.389  -0.963  -2.922
   84   1HB   PRO   9          2HB       PRO   9  -2.310  -3.201  -4.112
   85   2HB   PRO   9          3HB       PRO   9  -2.354  -2.917  -2.348
   86   1HG   PRO   9          2HG       PRO   9  -4.249  -4.544  -4.063
   87   2HG   PRO   9          3HG       PRO   9  -3.468  -5.016  -2.518
   88   1HD   PRO   9          2HD       PRO   9  -6.014  -4.081  -2.605
   89   2HD   PRO   9          3HD       PRO   9  -4.909  -3.627  -1.275
   90    QB   PRO   9           QB       PRO   9  -2.332  -3.059  -3.230
   91    QG   PRO   9           QG       PRO   9  -3.858  -4.780  -3.290
   92    QD   PRO   9           QD       PRO   9  -5.461  -3.854  -1.940
   93    H    TYR  10           HN       TYR  10  -4.462   0.464  -4.386
   94    HA   TYR  10           HA       TYR  10  -5.250  -0.384  -7.033
   95   1HB   TYR  10          2HB       TYR  10  -6.231   1.466  -5.644
   96   2HB   TYR  10          3HB       TYR  10  -4.781   2.408  -5.967
   97    HD1  TYR  10           HD1      TYR  10  -7.874   0.960  -7.376
   98    HD2  TYR  10           HD2      TYR  10  -4.403   3.370  -8.249
   99    HE1  TYR  10           HE1      TYR  10  -8.985   1.830  -9.415
  100    HE2  TYR  10           HE2      TYR  10  -5.560   4.303 -10.234
  101    HH   TYR  10           HH       TYR  10  -7.492   4.276 -11.538
  102    QB   TYR  10           QB       TYR  10  -5.506   1.937  -5.805
  103    QR   TYR  10           QR       TYR  10  -6.705   2.615  -8.819
  104    H    THR  11           HN       THR  11  -3.604  -1.074  -8.423
  105    HA   THR  11           HA       THR  11  -1.060   0.341  -8.625
  106    HB   THR  11           HB       THR  11  -2.341  -1.940 -10.130
  107    HG1  THR  11          1HG       THR  11  -1.111  -2.305  -8.238
  108   1HG2  THR  11          3HG2      THR  11   0.132  -0.404 -10.985
  109   2HG2  THR  11          1HG2      THR  11  -0.176  -2.090 -11.415
  110   3HG2  THR  11          2HG2      THR  11  -1.277  -0.825 -11.980
  111    QG2  THR  11           QG2      THR  11  -0.440  -1.106 -11.460
  112    H    GLY  12           HN       GLY  12  -4.161   0.519 -10.342
  113   1HA   GLY  12          1HA       GLY  12  -4.970   2.133 -11.750
  114   2HA   GLY  12          2HA       GLY  12  -3.573   3.161 -11.347
  115    QA   GLY  12           QA       GLY  12  -4.272   2.647 -11.549
  116    HA   PRO  13           HA       PRO  13  -3.265   1.316 -15.674
  117   1HB   PRO  13          2HB       PRO  13  -3.762   3.464 -17.262
  118   2HB   PRO  13          3HB       PRO  13  -5.069   2.583 -16.435
  119   1HG   PRO  13          2HG       PRO  13  -3.703   5.119 -15.487
  120   2HG   PRO  13          3HG       PRO  13  -5.460   4.829 -15.674
  121   1HD   PRO  13          2HD       PRO  13  -4.193   4.521 -13.273
  122   2HD   PRO  13          3HD       PRO  13  -5.522   3.432 -13.769
  123    QB   PRO  13           QB       PRO  13  -4.416   3.023 -16.849
  124    QG   PRO  13           QG       PRO  13  -4.581   4.974 -15.580
  125    QD   PRO  13           QD       PRO  13  -4.858   3.977 -13.521
  126    H    CYS  14           HN       CYS  14  -1.050   1.438 -14.246
  127    HA   CYS  14           HA       CYS  14   0.735   3.538 -15.502
  128   1HB   CYS  14          2HB       CYS  14   0.867   2.021 -12.968
  129   2HB   CYS  14          3HB       CYS  14   2.149   3.132 -13.522
  130    QB   CYS  14           QB       CYS  14   1.508   2.576 -13.245
  131    H    LYS  15           HN       LYS  15   2.655   2.973 -16.438
  132    HA   LYS  15           HA       LYS  15   2.876   0.084 -17.217
  133   1HB   LYS  15          2HB       LYS  15   3.526   2.636 -18.742
  134   2HB   LYS  15          3HB       LYS  15   4.227   1.066 -19.138
  135   1HG   LYS  15          2HG       LYS  15   1.896   0.107 -19.291
  136   2HG   LYS  15          3HG       LYS  15   1.288   1.771 -19.243
  137   1HD   LYS  15          2HD       LYS  15   2.609   2.317 -21.266
  138   2HD   LYS  15          3HD       LYS  15   3.365   0.713 -21.238
  139   1HE   LYS  15          2HE       LYS  15   1.125  -0.345 -21.591
  140   2HE   LYS  15          3HE       LYS  15   0.397   1.270 -21.715
  141   1HZ   LYS  15          2HZ       LYS  15   1.790   1.661 -23.640
  142   2HZ   LYS  15          3HZ       LYS  15   2.450   0.155 -23.514
  143   3HZ   LYS  15          1HZ       LYS  15   0.850   0.329 -23.847
  144    QB   LYS  15           QB       LYS  15   3.877   1.851 -18.940
  145    QG   LYS  15           QG       LYS  15   1.592   0.939 -19.267
  146    QD   LYS  15           QD       LYS  15   2.987   1.515 -21.252
  147    QE   LYS  15           QE       LYS  15   0.761   0.463 -21.653
  148    QZ   LYS  15           QZ       LYS  15   1.697   0.715 -23.667
  149    H    ALA  16           HN       ALA  16   3.761   0.156 -14.944
  150    HA   ALA  16           HA       ALA  16   6.639  -0.135 -15.087
  151   1HB   ALA  16          1HB       ALA  16   5.319   1.971 -13.306
  152   2HB   ALA  16          2HB       ALA  16   6.997   1.412 -13.119
  153   3HB   ALA  16          3HB       ALA  16   6.506   2.286 -14.581
  154    QB   ALA  16           QB       ALA  16   6.274   1.890 -13.669
  155    H    ARG  17           HN       ARG  17   7.265  -0.889 -12.671
  156    HA   ARG  17           HA       ARG  17   5.053  -2.027 -11.178
  157   1HB   ARG  17          2HB       ARG  17   7.332  -3.787 -12.176
  158   2HB   ARG  17          3HB       ARG  17   6.170  -4.211 -11.010
  159   1HG   ARG  17          2HG       ARG  17   5.297  -5.277 -12.825
  160   2HG   ARG  17          3HG       ARG  17   4.386  -3.770 -12.911
  161   1HD   ARG  17          2HD       ARG  17   6.139  -2.973 -14.655
  162   2HD   ARG  17          3HD       ARG  17   6.943  -4.506 -14.430
  163    HE   ARG  17           HE       ARG  17   5.462  -5.525 -15.789
  164   1HH1  ARG  17          2HH2      ARG  17   3.840  -2.551 -14.658
  165   2HH1  ARG  17          1HH2      ARG  17   2.660  -2.567 -15.925
  166   1HH2  ARG  17          2HH1      ARG  17   4.002  -5.447 -17.544
  167   2HH2  ARG  17          1HH1      ARG  17   2.769  -4.233 -17.620
  168    QB   ARG  17           QB       ARG  17   6.751  -3.999 -11.593
  169    QG   ARG  17           QG       ARG  17   4.841  -4.524 -12.868
  170    QD   ARG  17           QD       ARG  17   6.541  -3.739 -14.543
  171    QH1  ARG  17           QH2      ARG  17   3.250  -2.559 -15.291
  172    QH2  ARG  17           QH1      ARG  17   3.385  -4.840 -17.582
  173    H    ILE  18           HN       ILE  18   5.554  -1.458  -9.132
  174    HA   ILE  18           HA       ILE  18   8.391  -1.117  -8.266
  175    HB   ILE  18           HB       ILE  18   5.999   0.717  -7.731
  176   1HG1  ILE  18          2HG1      ILE  18   8.457   1.191  -9.455
  177   2HG1  ILE  18          3HG1      ILE  18   6.796   0.984 -10.022
  178   1HG2  ILE  18          1HG2      ILE  18   7.636   0.540  -5.836
  179   2HG2  ILE  18          2HG2      ILE  18   8.932   1.035  -6.941
  180   3HG2  ILE  18          3HG2      ILE  18   7.600   2.145  -6.547
  181   1HD1  ILE  18          2HD1      ILE  18   6.125   3.014  -8.691
  182   2HD1  ILE  18          3HD1      ILE  18   7.859   3.326  -8.416
  183   3HD1  ILE  18          1HD1      ILE  18   7.211   3.316 -10.062
  184    QG1  ILE  18           QG1      ILE  18   7.626   1.088  -9.738
  185    QG2  ILE  18           QG2      ILE  18   8.056   1.240  -6.441
  186    QD1  ILE  18           QD1      ILE  18   7.065   3.219  -9.056
  187    H    ILE  19           HN       ILE  19   8.640  -2.601  -6.563
  188    HA   ILE  19           HA       ILE  19   6.366  -3.791  -5.265
  189    HB   ILE  19           HB       ILE  19   9.232  -3.598  -4.284
  190   1HG1  ILE  19          2HG1      ILE  19   9.267  -4.655  -6.457
  191   2HG1  ILE  19          3HG1      ILE  19   9.567  -5.845  -5.199
  192   1HG2  ILE  19          3HG2      ILE  19   6.881  -5.374  -3.459
  193   2HG2  ILE  19          1HG2      ILE  19   8.565  -5.703  -3.007
  194   3HG2  ILE  19          2HG2      ILE  19   7.773  -4.221  -2.457
  195   1HD1  ILE  19          2HD1      ILE  19   7.229  -6.661  -5.389
  196   2HD1  ILE  19          3HD1      ILE  19   6.919  -5.453  -6.662
  197   3HD1  ILE  19          1HD1      ILE  19   8.094  -6.747  -6.933
  198    QG1  ILE  19           QG1      ILE  19   9.417  -5.250  -5.828
  199    QG2  ILE  19           QG2      ILE  19   7.740  -5.099  -2.974
  200    QD1  ILE  19           QD1      ILE  19   7.414  -6.287  -6.328
  201    H    ARG  20           HN       ARG  20   5.030  -2.851  -3.862
  202    HA   ARG  20           HA       ARG  20   6.050  -0.816  -1.966
  203   1HB   ARG  20          2HB       ARG  20   3.603  -0.661  -3.794
  204   2HB   ARG  20          3HB       ARG  20   3.712   0.271  -2.312
  205   1HG   ARG  20          2HG       ARG  20   5.581   0.489  -4.710
  206   2HG   ARG  20          3HG       ARG  20   4.363   1.653  -4.188
  207   1HD   ARG  20          2HD       ARG  20   5.885   1.352  -1.891
  208   2HD   ARG  20          3HD       ARG  20   7.104   1.140  -3.110
  209    HE   ARG  20           HE       ARG  20   6.526   3.329  -4.034
  210   1HH1  ARG  20          2HH2      ARG  20   5.159   2.707  -0.850
  211   2HH1  ARG  20          1HH2      ARG  20   4.878   4.339  -0.450
  212   1HH2  ARG  20          2HH1      ARG  20   6.490   5.544  -3.418
  213   2HH2  ARG  20          1HH1      ARG  20   5.929   6.010  -1.844
  214    QB   ARG  20           QB       ARG  20   3.658  -0.195  -3.053
  215    QG   ARG  20           QG       ARG  20   4.972   1.071  -4.449
  216    QD   ARG  20           QD       ARG  20   6.495   1.246  -2.500
  217    QH1  ARG  20           QH2      ARG  20   5.018   3.523  -0.650
  218    QH2  ARG  20           QH1      ARG  20   6.209   5.777  -2.631
  219    H    TYR  21           HN       TYR  21   4.281  -0.465  -0.212
  220    HA   TYR  21           HA       TYR  21   3.020  -3.076   0.351
  221   1HB   TYR  21          2HB       TYR  21   4.229  -1.370   2.508
  222   2HB   TYR  21          3HB       TYR  21   3.629  -2.982   2.649
  223    HD1  TYR  21           HD1      TYR  21   6.363  -1.455   0.433
  224    HD2  TYR  21           HD2      TYR  21   5.331  -4.294   3.510
  225    HE1  TYR  21           HE1      TYR  21   8.458  -2.633   0.025
  226    HE2  TYR  21           HE2      TYR  21   7.604  -5.266   3.315
  227    HH   TYR  21           HH       TYR  21   9.864  -4.297   0.729
  228    QB   TYR  21           QB       TYR  21   3.929  -2.176   2.579
  229    QR   TYR  21           QR       TYR  21   6.939  -3.412   1.821
  230    H    PHE  22           HN       PHE  22   1.450  -2.891   2.178
  231    HA   PHE  22           HA       PHE  22   0.024  -0.364   2.475
  232   1HB   PHE  22          2HB       PHE  22  -2.032  -1.011   1.523
  233   2HB   PHE  22          3HB       PHE  22  -0.874  -1.105   0.244
  234    HD1  PHE  22          2HD       PHE  22   0.242  -3.714   0.157
  235    HD2  PHE  22          1HD       PHE  22  -3.709  -2.600   1.489
  236    HE1  PHE  22          2HE       PHE  22  -0.570  -5.991  -0.337
  237    HE2  PHE  22          1HE       PHE  22  -4.520  -4.872   0.953
  238    HZ   PHE  22           HZ       PHE  22  -2.954  -6.578   0.036
  239    QB   PHE  22           QB       PHE  22  -1.453  -1.058   0.884
  240    QR   PHE  22           QR       PHE  22  -2.139  -4.294   0.565
  241    H    TYR  23           HN       TYR  23  -1.520  -0.559   4.212
  242    HA   TYR  23           HA       TYR  23  -1.262  -2.972   5.899
  243   1HB   TYR  23          2HB       TYR  23  -1.592  -0.700   6.833
  244   2HB   TYR  23          3HB       TYR  23  -3.197  -0.659   6.127
  245    HD1  TYR  23           HD2      TYR  23  -4.768  -2.763   6.806
  246    HD2  TYR  23           HD1      TYR  23  -1.349  -1.383   9.045
  247    HE1  TYR  23           HE2      TYR  23  -5.623  -3.891   8.831
  248    HE2  TYR  23           HE1      TYR  23  -2.269  -2.449  11.080
  249    HH   TYR  23           HH       TYR  23  -5.271  -4.380  11.071
  250    QB   TYR  23           QB       TYR  23  -2.394  -0.680   6.480
  251    QR   TYR  23           QR       TYR  23  -3.502  -2.622   8.941
  252    H    ASN  24           HN       ASN  24  -2.291  -4.801   5.313
  253    HA   ASN  24           HA       ASN  24  -4.659  -4.662   3.509
  254   1HB   ASN  24          2HB       ASN  24  -2.925  -6.237   2.926
  255   2HB   ASN  24          3HB       ASN  24  -3.011  -7.036   4.496
  256   1HD2  ASN  24          2HD2      ASN  24  -4.971  -9.165   2.241
  257   2HD2  ASN  24          1HD2      ASN  24  -3.318  -8.836   2.756
  258    QB   ASN  24           QB       ASN  24  -2.968  -6.636   3.711
  259    QD2  ASN  24           QD2      ASN  24  -4.145  -9.001   2.499
  260    H    ALA  25           HN       ALA  25  -6.335  -3.997   4.892
  261    HA   ALA  25           HA       ALA  25  -6.916  -4.942   7.458
  262   1HB   ALA  25          2HB       ALA  25  -8.050  -3.109   6.292
  263   2HB   ALA  25          3HB       ALA  25  -8.846  -4.280   5.214
  264   3HB   ALA  25          1HB       ALA  25  -9.200  -4.296   6.958
  265    QB   ALA  25           QB       ALA  25  -8.699  -3.895   6.155
  266    H    LYS  26           HN       LYS  26  -6.841  -6.914   4.550
  267    HA   LYS  26           HA       LYS  26  -8.879  -8.750   5.650
  268   1HB   LYS  26          2HB       LYS  26  -8.343  -8.230   3.105
  269   2HB   LYS  26          3HB       LYS  26  -7.075  -9.437   3.348
  270   1HG   LYS  26          2HG       LYS  26  -8.955 -10.601   2.517
  271   2HG   LYS  26          3HG       LYS  26  -8.873 -11.005   4.234
  272   1HD   LYS  26          2HD       LYS  26 -11.014 -10.272   4.512
  273   2HD   LYS  26          3HD       LYS  26 -10.494  -8.649   4.082
  274   1HE   LYS  26          2HE       LYS  26 -12.296  -9.164   2.636
  275   2HE   LYS  26          3HE       LYS  26 -10.823  -9.175   1.656
  276   1HZ   LYS  26          1HZ       LYS  26 -10.852 -11.600   1.827
  277   2HZ   LYS  26          2HZ       LYS  26 -12.236 -11.544   2.715
  278   3HZ   LYS  26          3HZ       LYS  26 -12.239 -11.030   1.154
  279    QB   LYS  26           QB       LYS  26  -7.709  -8.833   3.227
  280    QG   LYS  26           QG       LYS  26  -8.914 -10.803   3.376
  281    QD   LYS  26           QD       LYS  26 -10.754  -9.461   4.297
  282    QE   LYS  26           QE       LYS  26 -11.559  -9.169   2.146
  283    QZ   LYS  26           QZ       LYS  26 -11.776 -11.391   1.899
  284    H    ALA  27           HN       ALA  27  -5.445  -8.240   5.840
  285    HA   ALA  27           HA       ALA  27  -5.022 -10.913   7.120
  286   1HB   ALA  27          1HB       ALA  27  -3.531 -10.298   5.220
  287   2HB   ALA  27          2HB       ALA  27  -2.985  -8.879   6.143
  288   3HB   ALA  27          3HB       ALA  27  -2.667 -10.516   6.756
  289    QB   ALA  27           QB       ALA  27  -3.061  -9.898   6.040
  290    H    GLY  28           HN       GLY  28  -5.203  -7.457   7.650
  291   1HA   GLY  28          1HA       GLY  28  -5.114  -6.183   9.542
  292   2HA   GLY  28          2HA       GLY  28  -5.007  -7.643  10.542
  293    QA   GLY  28           QA       GLY  28  -5.060  -6.913  10.042
  294    H    LEU  29           HN       LEU  29  -2.850  -6.667   7.808
  295    HA   LEU  29           HA       LEU  29  -0.632  -6.104   9.596
  296   1HB   LEU  29          2HB       LEU  29  -1.051  -8.666   9.492
  297   2HB   LEU  29          3HB       LEU  29  -0.509  -8.600   7.829
  298    HG   LEU  29           HG       LEU  29   1.033  -9.404   9.665
  299   1HD1  LEU  29          2HD1      LEU  29   1.788  -8.610   7.335
  300   2HD1  LEU  29          3HD1      LEU  29   2.473  -7.215   8.204
  301   3HD1  LEU  29          1HD1      LEU  29   2.987  -8.844   8.617
  302   1HD2  LEU  29          2HD2      LEU  29   0.565  -7.609  11.328
  303   2HD2  LEU  29          3HD2      LEU  29   2.292  -7.876  11.022
  304   3HD2  LEU  29          1HD2      LEU  29   1.485  -6.465  10.324
  305    QB   LEU  29           QB       LEU  29  -0.780  -8.633   8.660
  306    QD1  LEU  29           QD1      LEU  29   2.416  -8.223   8.052
  307    QD2  LEU  29           QD2      LEU  29   1.447  -7.317  10.891
  308    QQD  LEU  29           QQD      LEU  29   1.932  -7.770   9.472
  309    H    CYS  30           HN       CYS  30   1.331  -5.586   8.325
  310    HA   CYS  30           HA       CYS  30   0.595  -4.113   5.863
  311   1HB   CYS  30          2HB       CYS  30   2.949  -4.076   7.741
  312   2HB   CYS  30          3HB       CYS  30   2.881  -3.175   6.219
  313    QB   CYS  30           QB       CYS  30   2.915  -3.626   6.980
  314    H    GLN  31           HN       GLN  31   1.029  -4.804   3.894
  315    HA   GLN  31           HA       GLN  31   2.841  -7.155   3.501
  316   1HB   GLN  31          2HB       GLN  31  -0.103  -6.852   2.756
  317   2HB   GLN  31          3HB       GLN  31   0.953  -8.145   2.170
  318   1HG   GLN  31          2HG       GLN  31   1.374  -8.841   4.541
  319   2HG   GLN  31          3HG       GLN  31   0.166  -7.660   5.076
  320   1HE2  GLN  31          2HE2      GLN  31  -1.305 -11.167   4.383
  321   2HE2  GLN  31          1HE2      GLN  31   0.209 -10.735   5.153
  322    QB   GLN  31           QB       GLN  31   0.425  -7.499   2.463
  323    QG   GLN  31           QG       GLN  31   0.770  -8.251   4.809
  324    QE2  GLN  31           QE2      GLN  31  -0.548 -10.951   4.768
  325    H    THR  32           HN       THR  32   3.133  -7.610   1.129
  326    HA   THR  32           HA       THR  32   3.870  -5.089  -0.104
  327    HB   THR  32           HB       THR  32   5.214  -6.602  -1.543
  328    HG1  THR  32          1HG       THR  32   5.144  -8.842  -0.997
  329   1HG2  THR  32          3HG2      THR  32   6.085  -5.804   0.644
  330   2HG2  THR  32          1HG2      THR  32   5.497  -7.293   1.421
  331   3HG2  THR  32          2HG2      THR  32   6.756  -7.375   0.174
  332    QG2  THR  32           QG2      THR  32   6.113  -6.824   0.746
  333    H    PHE  33           HN       PHE  33   3.569  -4.768  -2.465
  334    HA   PHE  33           HA       PHE  33   2.041  -6.633  -4.015
  335   1HB   PHE  33          2HB       PHE  33   0.233  -5.255  -4.673
  336   2HB   PHE  33          3HB       PHE  33   0.183  -5.324  -2.925
  337    HD1  PHE  33          2HD       PHE  33   1.570  -3.252  -1.742
  338    HD2  PHE  33          1HD       PHE  33  -0.299  -3.209  -5.624
  339    HE1  PHE  33          2HE       PHE  33   1.139  -0.816  -1.526
  340    HE2  PHE  33          1HE       PHE  33  -0.769  -0.810  -5.376
  341    HZ   PHE  33           HZ       PHE  33  -0.037   0.406  -3.326
  342    QB   PHE  33           QB       PHE  33   0.208  -5.290  -3.799
  343    QR   PHE  33           QR       PHE  33   0.410  -2.022  -3.567
  344    H    VAL  34           HN       VAL  34   2.137  -5.967  -6.360
  345    HA   VAL  34           HA       VAL  34   4.390  -4.147  -6.981
  346    HB   VAL  34           HB       VAL  34   2.409  -5.572  -8.816
  347   1HG1  VAL  34          1HG1      VAL  34   4.852  -3.808  -9.326
  348   2HG1  VAL  34          2HG1      VAL  34   4.089  -4.822 -10.575
  349   3HG1  VAL  34          3HG1      VAL  34   3.204  -3.477  -9.868
  350   1HG2  VAL  34          3HG2      VAL  34   4.028  -7.125  -7.704
  351   2HG2  VAL  34          1HG2      VAL  34   4.316  -6.978  -9.445
  352   3HG2  VAL  34          2HG2      VAL  34   5.366  -6.120  -8.304
  353    QG1  VAL  34           QG1      VAL  34   4.049  -4.035  -9.923
  354    QG2  VAL  34           QG2      VAL  34   4.570  -6.741  -8.485
  355    QQG  VAL  34           QQG      VAL  34   4.309  -5.388  -9.204
  356    H    TYR  35           HN       TYR  35   3.989  -1.998  -7.098
  357    HA   TYR  35           HA       TYR  35   1.231  -0.985  -7.633
  358   1HB   TYR  35          2HB       TYR  35   2.080  -0.199  -5.478
  359   2HB   TYR  35          3HB       TYR  35   3.652   0.156  -6.181
  360    HD1  TYR  35           HD1      TYR  35   0.023   1.146  -6.535
  361    HD2  TYR  35           HD2      TYR  35   4.165   2.333  -6.840
  362    HE1  TYR  35           HE1      TYR  35  -0.657   3.359  -7.463
  363    HE2  TYR  35           HE2      TYR  35   3.444   4.574  -7.619
  364    HH   TYR  35           HH       TYR  35   0.122   5.136  -8.743
  365    QB   TYR  35           QB       TYR  35   2.866  -0.022  -5.830
  366    QR   TYR  35           QR       TYR  35   1.744   2.853  -7.114
  367    H    GLY  36           HN       GLY  36   1.143   0.660  -9.120
  368   1HA   GLY  36          1HA       GLY  36   2.587   0.279 -11.527
  369   2HA   GLY  36          2HA       GLY  36   1.409   1.541 -11.092
  370    QA   GLY  36           QA       GLY  36   1.998   0.910 -11.310
  371    H    GLY  37           HN       GLY  37   2.068   3.597 -10.681
  372   1HA   GLY  37          1HA       GLY  37   4.393   4.695  -9.770
  373   2HA   GLY  37          2HA       GLY  37   4.821   4.279 -11.437
  374    QA   GLY  37           QA       GLY  37   4.607   4.487 -10.604
  375    H    CYS  38           HN       CYS  38   1.718   5.441 -10.075
  376    HA   CYS  38           HA       CYS  38   1.723   8.072 -10.733
  377   1HB   CYS  38          2HB       CYS  38   0.280   8.062 -12.820
  378   2HB   CYS  38          3HB       CYS  38   2.000   7.906 -13.037
  379    QB   CYS  38           QB       CYS  38   1.140   7.984 -12.929
  380    H    ARG  39           HN       ARG  39  -0.287   9.016 -10.253
  381    HA   ARG  39           HA       ARG  39  -2.151   9.134  -8.928
  382   1HB   ARG  39          2HB       ARG  39  -2.951   7.014 -10.959
  383   2HB   ARG  39          3HB       ARG  39  -4.064   7.594  -9.729
  384   1HG   ARG  39          2HG       ARG  39  -4.534   8.700 -11.712
  385   2HG   ARG  39          3HG       ARG  39  -3.982   9.869 -10.520
  386   1HD   ARG  39          2HD       ARG  39  -2.012   8.736 -12.533
  387   2HD   ARG  39          3HD       ARG  39  -3.235   9.906 -13.063
  388    HE   ARG  39           HE       ARG  39  -1.980  10.919 -10.720
  389   1HH1  ARG  39          2HH2      ARG  39  -1.362  10.394 -14.147
  390   2HH1  ARG  39          1HH2      ARG  39  -0.420  11.834 -14.378
  391   1HH2  ARG  39          2HH1      ARG  39  -0.729  12.862 -10.974
  392   2HH2  ARG  39          1HH1      ARG  39  -0.035  13.255 -12.509
  393    QB   ARG  39           QB       ARG  39  -3.508   7.304 -10.344
  394    QG   ARG  39           QG       ARG  39  -4.258   9.284 -11.116
  395    QD   ARG  39           QD       ARG  39  -2.623   9.321 -12.798
  396    QH1  ARG  39           QH2      ARG  39  -0.891  11.114 -14.263
  397    QH2  ARG  39           QH1      ARG  39  -0.382  13.058 -11.741
  398    H    ALA  40           HN       ALA  40  -0.160   7.797  -7.631
  399    HA   ALA  40           HA       ALA  40  -0.877   5.372  -6.390
  400   1HB   ALA  40          1HB       ALA  40   1.370   6.590  -6.291
  401   2HB   ALA  40          2HB       ALA  40   0.634   7.667  -5.092
  402   3HB   ALA  40          3HB       ALA  40   0.781   5.934  -4.757
  403    QB   ALA  40           QB       ALA  40   0.928   6.731  -5.380
  404    H    LYS  41           HN       LYS  41  -1.487   5.130  -4.043
  405    HA   LYS  41           HA       LYS  41  -3.370   7.217  -3.067
  406   1HB   LYS  41          2HB       LYS  41  -3.757   4.197  -3.255
  407   2HB   LYS  41          3HB       LYS  41  -4.461   5.084  -1.927
  408   1HG   LYS  41          2HG       LYS  41  -6.192   5.150  -3.299
  409   2HG   LYS  41          3HG       LYS  41  -5.464   6.734  -3.524
  410   1HD   LYS  41          2HD       LYS  41  -4.114   5.188  -5.429
  411   2HD   LYS  41          3HD       LYS  41  -5.652   4.347  -5.231
  412   1HE   LYS  41          2HE       LYS  41  -6.859   6.472  -5.753
  413   2HE   LYS  41          3HE       LYS  41  -5.317   7.359  -5.724
  414   1HZ   LYS  41          2HZ       LYS  41  -5.998   5.288  -7.699
  415   2HZ   LYS  41          3HZ       LYS  41  -6.023   6.912  -7.979
  416   3HZ   LYS  41          1HZ       LYS  41  -4.597   6.163  -7.637
  417    QB   LYS  41           QB       LYS  41  -4.109   4.640  -2.591
  418    QG   LYS  41           QG       LYS  41  -5.828   5.942  -3.411
  419    QD   LYS  41           QD       LYS  41  -4.883   4.767  -5.330
  420    QE   LYS  41           QE       LYS  41  -6.088   6.916  -5.738
  421    QZ   LYS  41           QZ       LYS  41  -5.539   6.121  -7.772
  422    H    ARG  42           HN       ARG  42  -3.830   6.447  -0.662
  423    HA   ARG  42           HA       ARG  42  -1.398   7.555   0.521
  424   1HB   ARG  42          2HB       ARG  42  -4.165   6.975   1.639
  425   2HB   ARG  42          3HB       ARG  42  -2.884   7.846   2.509
  426   1HG   ARG  42          2HG       ARG  42  -2.901   9.646   0.864
  427   2HG   ARG  42          3HG       ARG  42  -3.981   8.738  -0.196
  428   1HD   ARG  42          2HD       ARG  42  -5.264  10.406   0.886
  429   2HD   ARG  42          3HD       ARG  42  -5.778   8.818   1.503
  430    HE   ARG  42           HE       ARG  42  -3.826   9.703   3.283
  431   1HH1  ARG  42          2HH2      ARG  42  -7.032  10.714   2.233
  432   2HH1  ARG  42          1HH2      ARG  42  -7.390  11.659   3.644
  433   1HH2  ARG  42          2HH1      ARG  42  -4.215  11.038   5.141
  434   2HH2  ARG  42          1HH1      ARG  42  -5.749  11.817   5.356
  435    QB   ARG  42           QB       ARG  42  -3.525   7.410   2.074
  436    QG   ARG  42           QG       ARG  42  -3.441   9.192   0.334
  437    QD   ARG  42           QD       ARG  42  -5.521   9.612   1.194
  438    QH1  ARG  42           QH2      ARG  42  -7.211  11.187   2.939
  439    QH2  ARG  42           QH1      ARG  42  -4.982  11.427   5.249
  440    H    ASN  43           HN       ASN  43  -3.142   4.489   0.585
  441    HA   ASN  43           HA       ASN  43  -1.701   3.388   2.880
  442   1HB   ASN  43          2HB       ASN  43  -4.090   2.952   2.160
  443   2HB   ASN  43          3HB       ASN  43  -3.467   2.111   0.751
  444   1HD2  ASN  43          2HD2      ASN  43  -4.184  -0.647   3.075
  445   2HD2  ASN  43          1HD2      ASN  43  -4.920   0.340   1.812
  446    QB   ASN  43           QB       ASN  43  -3.779   2.531   1.456
  447    QD2  ASN  43           QD2      ASN  43  -4.552  -0.153   2.444
  448    H    ASN  44           HN       ASN  44   0.294   4.253   1.362
  449    HA   ASN  44           HA       ASN  44   1.289   1.951  -0.284
  450   1HB   ASN  44          2HB       ASN  44   0.153   3.575  -1.740
  451   2HB   ASN  44          3HB       ASN  44   1.299   4.825  -1.221
  452   1HD2  ASN  44          2HD2      ASN  44   2.557   3.229  -4.409
  453   2HD2  ASN  44          1HD2      ASN  44   1.105   4.092  -3.956
  454    QB   ASN  44           QB       ASN  44   0.726   4.200  -1.481
  455    QD2  ASN  44           QD2      ASN  44   1.831   3.660  -4.182
  456    H    PHE  45           HN       PHE  45   2.755   1.393   1.278
  457    HA   PHE  45           HA       PHE  45   4.765   3.417   2.209
  458   1HB   PHE  45          2HB       PHE  45   4.085   0.704   3.341
  459   2HB   PHE  45          3HB       PHE  45   4.981   1.968   4.140
  460    HD1  PHE  45          2HD       PHE  45   3.741   4.245   4.561
  461    HD2  PHE  45          1HD       PHE  45   1.749   0.555   3.586
  462    HE1  PHE  45          2HE       PHE  45   1.586   5.206   5.290
  463    HE2  PHE  45          1HE       PHE  45  -0.318   1.396   4.655
  464    HZ   PHE  45           HZ       PHE  45  -0.464   3.731   5.410
  465    QB   PHE  45           QB       PHE  45   4.533   1.336   3.741
  466    QR   PHE  45           QR       PHE  45   1.690   2.850   4.523
  467    H    LYS  46           HN       LYS  46   6.940   2.281   2.859
  468    HA   LYS  46           HA       LYS  46   7.811   0.557   0.584
  469   1HB   LYS  46          2HB       LYS  46   8.800   2.565   0.219
  470   2HB   LYS  46          3HB       LYS  46   8.897   3.006   1.935
  471   1HG   LYS  46          2HG       LYS  46  10.688   1.551   2.346
  472   2HG   LYS  46          3HG       LYS  46  10.557   0.788   0.731
  473   1HD   LYS  46          2HD       LYS  46  11.293   2.756  -0.391
  474   2HD   LYS  46          3HD       LYS  46  11.107   3.754   1.055
  475   1HE   LYS  46          2HE       LYS  46  12.962   1.505   1.550
  476   2HE   LYS  46          3HE       LYS  46  13.467   2.422   0.129
  477   1HZ   LYS  46          3HZ       LYS  46  13.403   4.419   1.468
  478   2HZ   LYS  46          1HZ       LYS  46  12.966   3.555   2.801
  479   3HZ   LYS  46          2HZ       LYS  46  14.433   3.309   2.102
  480    QB   LYS  46           QB       LYS  46   8.849   2.786   1.077
  481    QG   LYS  46           QG       LYS  46  10.622   1.169   1.538
  482    QD   LYS  46           QD       LYS  46  11.200   3.255   0.332
  483    QE   LYS  46           QE       LYS  46  13.215   1.963   0.839
  484    QZ   LYS  46           QZ       LYS  46  13.601   3.761   2.123
  485    H    SER  47           HN       SER  47   7.551   0.737   4.133
  486    HA   SER  47           HA       SER  47   8.721  -1.998   4.101
  487   1HB   SER  47          2HB       SER  47   9.938  -1.647   6.130
  488   2HB   SER  47          3HB       SER  47  10.402  -0.294   5.072
  489    HG   SER  47           HG       SER  47   9.787   0.414   7.216
  490    QB   SER  47           QB       SER  47  10.170  -0.970   5.601
  491    H    ALA  48           HN       ALA  48   7.925  -3.293   5.899
  492    HA   ALA  48           HA       ALA  48   5.121  -2.925   6.305
  493   1HB   ALA  48          1HB       ALA  48   6.160  -5.154   6.267
  494   2HB   ALA  48          2HB       ALA  48   7.069  -4.776   7.750
  495   3HB   ALA  48          3HB       ALA  48   5.296  -4.882   7.792
  496    QB   ALA  48           QB       ALA  48   6.175  -4.937   7.270
  497    H    GLU  49           HN       GLU  49   8.019  -2.233   8.298
  498    HA   GLU  49           HA       GLU  49   6.465  -1.562  10.605
  499   1HB   GLU  49          2HB       GLU  49   8.546  -0.789  11.573
  500   2HB   GLU  49          3HB       GLU  49   8.565  -2.433  10.941
  501   1HG   GLU  49          2HG       GLU  49  10.664  -1.581  10.386
  502   2HG   GLU  49          3HG       GLU  49   9.785  -1.525   8.847
  503    QB   GLU  49           QB       GLU  49   8.556  -1.611  11.257
  504    QG   GLU  49           QG       GLU  49  10.225  -1.553   9.617
  505    H    ASP  50           HN       ASP  50   7.796   0.402   7.906
  506    HA   ASP  50           HA       ASP  50   7.034   2.998   8.766
  507   1HB   ASP  50          2HB       ASP  50   8.392   2.640   6.794
  508   2HB   ASP  50          3HB       ASP  50   7.174   1.566   6.090
  509    QB   ASP  50           QB       ASP  50   7.783   2.103   6.442
  510    H    CYS  51           HN       CYS  51   5.271   0.662   6.752
  511    HA   CYS  51           HA       CYS  51   2.762   1.874   6.646
  512   1HB   CYS  51          2HB       CYS  51   3.319  -0.041   5.330
  513   2HB   CYS  51          3HB       CYS  51   3.616  -1.034   6.715
  514    QB   CYS  51           QB       CYS  51   3.467  -0.538   6.022
  515    H    MET  52           HN       MET  52   3.793  -0.524   9.136
  516    HA   MET  52           HA       MET  52   1.454  -0.313  10.694
  517   1HB   MET  52          2HB       MET  52   4.316  -1.032  11.418
  518   2HB   MET  52          3HB       MET  52   2.994  -1.073  12.575
  519   1HG   MET  52          2HG       MET  52   3.124  -2.704  10.022
  520   2HG   MET  52          3HG       MET  52   3.441  -3.292  11.643
  521   1HE   MET  52          1HE       MET  52   1.567  -3.718  13.471
  522   2HE   MET  52          2HE       MET  52   1.004  -2.029  13.378
  523   3HE   MET  52          3HE       MET  52  -0.158  -3.364  13.221
  524    QB   MET  52           QB       MET  52   3.655  -1.052  11.997
  525    QG   MET  52           QG       MET  52   3.283  -2.998  10.833
  526    QE   MET  52           QE       MET  52   0.805  -3.037  13.357
  527    H    ARG  53           HN       ARG  53   4.478   1.661  10.901
  528    HA   ARG  53           HA       ARG  53   3.723   3.154  13.200
  529   1HB   ARG  53          2HB       ARG  53   5.409   3.917  10.792
  530   2HB   ARG  53          3HB       ARG  53   5.210   4.967  12.195
  531   1HG   ARG  53          2HG       ARG  53   6.243   3.409  13.681
  532   2HG   ARG  53          3HG       ARG  53   6.228   2.131  12.471
  533   1HD   ARG  53          2HD       ARG  53   7.671   3.824  11.031
  534   2HD   ARG  53          3HD       ARG  53   8.006   4.616  12.565
  535    HE   ARG  53           HE       ARG  53   9.147   2.203  11.461
  536   1HH1  ARG  53          2HH2      ARG  53   8.251   3.488  14.614
  537   2HH1  ARG  53          1HH2      ARG  53   9.392   2.483  15.479
  538   1HH2  ARG  53          2HH1      ARG  53  10.537   0.994  12.468
  539   2HH2  ARG  53          1HH1      ARG  53  10.802   0.982  14.214
  540    QB   ARG  53           QB       ARG  53   5.309   4.442  11.494
  541    QG   ARG  53           QG       ARG  53   6.235   2.770  13.076
  542    QD   ARG  53           QD       ARG  53   7.839   4.220  11.798
  543    QH1  ARG  53           QH2      ARG  53   8.821   2.985  15.047
  544    QH2  ARG  53           QH1      ARG  53  10.670   0.988  13.341
  545    H    THR  54           HN       THR  54   3.045   3.807   9.707
  546    HA   THR  54           HA       THR  54   1.574   6.223  10.308
  547    HB   THR  54           HB       THR  54   1.557   4.385   7.877
  548    HG1  THR  54          1HG       THR  54   3.474   5.415   8.133
  549   1HG2  THR  54          1HG2      THR  54   0.172   7.083   8.326
  550   2HG2  THR  54          2HG2      THR  54   0.442   6.362   6.735
  551   3HG2  THR  54          3HG2      THR  54  -0.582   5.535   7.898
  552    QG2  THR  54           QG2      THR  54   0.010   6.326   7.653
  553    H    CYS  55           HN       CYS  55   0.486   2.872   9.650
  554    HA   CYS  55           HA       CYS  55  -2.306   3.674   9.941
  555   1HB   CYS  55          2HB       CYS  55  -0.995   0.954   9.560
  556   2HB   CYS  55          3HB       CYS  55  -2.733   1.272   9.524
  557    QB   CYS  55           QB       CYS  55  -1.864   1.113   9.542
  558    H    GLY  56           HN       GLY  56  -0.223   1.366  11.697
  559   1HA   GLY  56          1HA       GLY  56  -0.676   0.103  13.549
  560   2HA   GLY  56          2HA       GLY  56  -0.606   1.729  14.236
  561    QA   GLY  56           QA       GLY  56  -0.641   0.916  13.892
  562    H    GLY  57           HN       GLY  57  -2.191   2.016  15.647
  563   1HA   GLY  57          1HA       GLY  57  -4.823   2.116  15.738
  564   2HA   GLY  57          2HA       GLY  57  -4.646   0.355  15.601
  565    QA   GLY  57           QA       GLY  57  -4.734   1.235  15.670
  566    H    ALA  58           HN       ALA  58  -3.637   3.237  17.518
  567    HA   ALA  58           HA       ALA  58  -3.856   1.871  19.998
  568   1HB   ALA  58          3HB       ALA  58  -1.134   2.924  19.060
  569   2HB   ALA  58          1HB       ALA  58  -1.542   2.458  20.726
  570   3HB   ALA  58          2HB       ALA  58  -1.514   1.228  19.448
  571    QB   ALA  58           QB       ALA  58  -1.397   2.203  19.745
   
  No H/Q in entry =         571
  Start of MODEL    5
    1    H    ARG   1           HN       ARG   1  -9.470   4.226  14.001
    2    HA   ARG   1           HA       ARG   1  -6.727   4.593  12.991
    3   1HB   ARG   1          2HB       ARG   1  -6.891   2.507  11.739
    4   2HB   ARG   1          3HB       ARG   1  -7.021   2.185  13.452
    5   1HG   ARG   1          2HG       ARG   1  -9.164   1.390  13.290
    6   2HG   ARG   1          3HG       ARG   1  -9.659   2.585  12.092
    7   1HD   ARG   1          2HD       ARG   1  -8.244   1.374  10.374
    8   2HD   ARG   1          3HD       ARG   1  -8.106   0.034  11.508
    9    HE   ARG   1           HE       ARG   1 -10.374   0.986   9.930
   10   1HH1  ARG   1          2HH2      ARG   1  -9.520  -0.898  12.772
   11   2HH1  ARG   1          1HH2      ARG   1 -11.048  -1.703  12.931
   12   1HH2  ARG   1          2HH1      ARG   1 -12.429  -0.093  10.053
   13   2HH2  ARG   1          1HH1      ARG   1 -12.750  -1.231  11.318
   14    QB   ARG   1           QB       ARG   1  -6.956   2.346  12.596
   15    QG   ARG   1           QG       ARG   1  -9.411   1.987  12.691
   16    QD   ARG   1           QD       ARG   1  -8.175   0.704  10.941
   17    QH1  ARG   1           QH2      ARG   1 -10.284  -1.300  12.852
   18    QH2  ARG   1           QH1      ARG   1 -12.589  -0.662  10.685
   19    HA   PRO   2           HA       PRO   2  -9.125   6.474   9.677
   20   1HB   PRO   2          2HB       PRO   2  -7.481   5.995   7.473
   21   2HB   PRO   2          3HB       PRO   2  -7.321   7.347   8.619
   22   1HG   PRO   2          2HG       PRO   2  -5.593   4.982   8.324
   23   2HG   PRO   2          3HG       PRO   2  -5.260   6.473   9.212
   24   1HD   PRO   2          2HD       PRO   2  -6.078   3.969  10.327
   25   2HD   PRO   2          3HD       PRO   2  -5.777   5.515  11.170
   26    QB   PRO   2           QB       PRO   2  -7.401   6.671   8.046
   27    QG   PRO   2           QG       PRO   2  -5.426   5.728   8.768
   28    QD   PRO   2           QD       PRO   2  -5.927   4.742  10.748
   29    H    ASP   3           HN       ASP   3 -10.095   5.977   7.496
   30    HA   ASP   3           HA       ASP   3 -11.191   3.321   7.268
   31   1HB   ASP   3          2HB       ASP   3 -12.494   4.487   5.477
   32   2HB   ASP   3          3HB       ASP   3 -12.588   5.403   6.985
   33    QB   ASP   3           QB       ASP   3 -12.541   4.945   6.231
   34    H    PHE   4           HN       PHE   4  -9.043   5.593   5.633
   35    HA   PHE   4           HA       PHE   4  -8.679   4.153   3.309
   36   1HB   PHE   4          2HB       PHE   4  -6.808   5.481   2.797
   37   2HB   PHE   4          3HB       PHE   4  -7.890   6.479   3.768
   38    HD1  PHE   4          1HD       PHE   4  -4.840   4.266   3.948
   39    HD2  PHE   4          2HD       PHE   4  -6.874   7.715   5.562
   40    HE1  PHE   4          1HE       PHE   4  -3.061   4.519   5.628
   41    HE2  PHE   4          2HE       PHE   4  -4.961   8.096   7.096
   42    HZ   PHE   4           HZ       PHE   4  -3.180   6.373   7.290
   43    QB   PHE   4           QB       PHE   4  -7.349   5.980   3.282
   44    QR   PHE   4           QR       PHE   4  -4.934   6.149   5.559
   45    H    CYS   5           HN       CYS   5  -7.379   3.381   6.439
   46    HA   CYS   5           HA       CYS   5  -5.207   1.709   5.785
   47   1HB   CYS   5          2HB       CYS   5  -6.571   2.389   8.107
   48   2HB   CYS   5          3HB       CYS   5  -7.024   0.705   7.901
   49    QB   CYS   5           QB       CYS   5  -6.798   1.547   8.004
   50    H    LEU   6           HN       LEU   6  -8.647   1.277   5.143
   51    HA   LEU   6           HA       LEU   6  -8.277  -1.634   4.639
   52   1HB   LEU   6          2HB       LEU   6 -10.888  -0.130   4.721
   53   2HB   LEU   6          3HB       LEU   6 -10.572  -1.852   4.822
   54    HG   LEU   6           HG       LEU   6  -9.202  -0.801   7.070
   55   1HD1  LEU   6          2HD1      LEU   6 -11.627   0.886   6.590
   56   2HD1  LEU   6          3HD1      LEU   6 -11.027   0.526   8.211
   57   3HD1  LEU   6          1HD1      LEU   6  -9.957   1.312   7.079
   58   1HD2  LEU   6          1HD2      LEU   6 -11.486  -2.562   6.606
   59   2HD2  LEU   6          2HD2      LEU   6 -10.325  -2.517   7.942
   60   3HD2  LEU   6          3HD2      LEU   6 -11.780  -1.533   8.004
   61    QB   LEU   6           QB       LEU   6 -10.730  -0.991   4.772
   62    QD1  LEU   6           QD1      LEU   6 -10.870   0.908   7.293
   63    QD2  LEU   6           QD2      LEU   6 -11.197  -2.204   7.517
   64    QQD  LEU   6           QQD      LEU   6 -11.034  -0.648   7.405
   65    H    GLU   7           HN       GLU   7  -7.786   1.079   2.733
   66    HA   GLU   7           HA       GLU   7  -9.616   0.523   0.635
   67   1HB   GLU   7          2HB       GLU   7  -8.424   2.174  -0.614
   68   2HB   GLU   7          3HB       GLU   7  -8.691   2.683   1.048
   69   1HG   GLU   7          2HG       GLU   7  -6.545   3.342   0.793
   70   2HG   GLU   7          3HG       GLU   7  -6.279   1.690   1.398
   71    QB   GLU   7           QB       GLU   7  -8.558   2.429   0.217
   72    QG   GLU   7           QG       GLU   7  -6.412   2.516   1.095
   73    HA   PRO   8           HA       PRO   8  -7.488  -2.803  -1.318
   74   1HB   PRO   8          2HB       PRO   8  -8.466  -2.809  -3.856
   75   2HB   PRO   8          3HB       PRO   8  -9.523  -3.055  -2.432
   76   1HG   PRO   8          2HG       PRO   8  -9.002  -0.437  -3.885
   77   2HG   PRO   8          3HG       PRO   8 -10.591  -1.179  -3.531
   78   1HD   PRO   8          2HD       PRO   8  -9.509   0.700  -1.898
   79   2HD   PRO   8          3HD       PRO   8 -10.386  -0.702  -1.214
   80    QB   PRO   8           QB       PRO   8  -8.995  -2.932  -3.144
   81    QG   PRO   8           QG       PRO   8  -9.796  -0.808  -3.708
   82    QD   PRO   8           QD       PRO   8  -9.948  -0.001  -1.556
   83    HA   PRO   9           HA       PRO   9  -3.748  -1.070  -2.787
   84   1HB   PRO   9          2HB       PRO   9  -2.493  -3.202  -3.991
   85   2HB   PRO   9          3HB       PRO   9  -2.767  -3.062  -2.231
   86   1HG   PRO   9          2HG       PRO   9  -4.508  -4.504  -4.258
   87   2HG   PRO   9          3HG       PRO   9  -3.832  -5.170  -2.737
   88   1HD   PRO   9          2HD       PRO   9  -6.340  -4.216  -2.775
   89   2HD   PRO   9          3HD       PRO   9  -5.269  -3.753  -1.416
   90    QB   PRO   9           QB       PRO   9  -2.630  -3.132  -3.111
   91    QG   PRO   9           QG       PRO   9  -4.170  -4.837  -3.498
   92    QD   PRO   9           QD       PRO   9  -5.805  -3.984  -2.096
   93    H    TYR  10           HN       TYR  10  -4.278   0.484  -4.246
   94    HA   TYR  10           HA       TYR  10  -5.191  -0.079  -6.919
   95   1HB   TYR  10          2HB       TYR  10  -5.862   1.829  -5.423
   96   2HB   TYR  10          3HB       TYR  10  -4.255   2.506  -5.666
   97    HD1  TYR  10           HD1      TYR  10  -7.275   1.313  -7.530
   98    HD2  TYR  10           HD2      TYR  10  -3.903   4.006  -7.508
   99    HE1  TYR  10           HE1      TYR  10  -8.192   2.488  -9.515
  100    HE2  TYR  10           HE2      TYR  10  -4.897   5.265  -9.384
  101    HH   TYR  10           HH       TYR  10  -6.672   5.434 -10.856
  102    QB   TYR  10           QB       TYR  10  -5.058   2.167  -5.545
  103    QR   TYR  10           QR       TYR  10  -6.067   3.268  -8.484
  104    H    THR  11           HN       THR  11  -3.709  -0.907  -8.401
  105    HA   THR  11           HA       THR  11  -0.948  -0.133  -8.440
  106    HB   THR  11           HB       THR  11  -2.739  -1.652 -10.327
  107    HG1  THR  11          1HG       THR  11  -1.361  -3.243  -9.633
  108   1HG2  THR  11          3HG2      THR  11   0.165  -0.972 -10.952
  109   2HG2  THR  11          1HG2      THR  11  -0.838  -2.187 -11.763
  110   3HG2  THR  11          2HG2      THR  11  -1.236  -0.481 -11.921
  111    QG2  THR  11           QG2      THR  11  -0.637  -1.213 -11.545
  112    H    GLY  12           HN       GLY  12  -3.828   1.223  -9.905
  113   1HA   GLY  12          1HA       GLY  12  -4.158   3.244 -10.930
  114   2HA   GLY  12          2HA       GLY  12  -2.443   3.672 -10.726
  115    QA   GLY  12           QA       GLY  12  -3.300   3.458 -10.828
  116    HA   PRO  13           HA       PRO  13  -3.285   1.957 -15.085
  117   1HB   PRO  13          2HB       PRO  13  -3.829   4.158 -16.591
  118   2HB   PRO  13          3HB       PRO  13  -5.081   3.361 -15.612
  119   1HG   PRO  13          2HG       PRO  13  -3.406   5.758 -14.809
  120   2HG   PRO  13          3HG       PRO  13  -5.195   5.635 -14.816
  121   1HD   PRO  13          2HD       PRO  13  -3.756   5.157 -12.543
  122   2HD   PRO  13          3HD       PRO  13  -5.177   4.150 -12.953
  123    QB   PRO  13           QB       PRO  13  -4.455   3.759 -16.101
  124    QG   PRO  13           QG       PRO  13  -4.300   5.697 -14.813
  125    QD   PRO  13           QD       PRO  13  -4.466   4.653 -12.748
  126    H    CYS  14           HN       CYS  14  -0.852   2.049 -13.800
  127    HA   CYS  14           HA       CYS  14   0.819   3.623 -15.748
  128   1HB   CYS  14          2HB       CYS  14   1.421   3.299 -12.823
  129   2HB   CYS  14          3HB       CYS  14   2.436   4.087 -14.040
  130    QB   CYS  14           QB       CYS  14   1.928   3.693 -13.432
  131    H    LYS  15           HN       LYS  15   2.608   2.614 -16.589
  132    HA   LYS  15           HA       LYS  15   2.224  -0.334 -16.514
  133   1HB   LYS  15          2HB       LYS  15   3.147   1.584 -18.675
  134   2HB   LYS  15          3HB       LYS  15   3.637  -0.101 -18.691
  135   1HG   LYS  15          2HG       LYS  15   1.840  -0.389 -19.938
  136   2HG   LYS  15          3HG       LYS  15   1.102  -0.667 -18.376
  137   1HD   LYS  15          2HD       LYS  15  -0.456   0.803 -19.249
  138   2HD   LYS  15          3HD       LYS  15   0.631   1.956 -18.484
  139   1HE   LYS  15          2HE       LYS  15   0.340   2.881 -20.625
  140   2HE   LYS  15          3HE       LYS  15   1.874   2.020 -20.802
  141   1HZ   LYS  15          2HZ       LYS  15   0.621   0.210 -21.837
  142   2HZ   LYS  15          3HZ       LYS  15  -0.782   1.051 -21.664
  143   3HZ   LYS  15          1HZ       LYS  15   0.401   1.622 -22.642
  144    QB   LYS  15           QB       LYS  15   3.392   0.742 -18.683
  145    QG   LYS  15           QG       LYS  15   1.471  -0.528 -19.157
  146    QD   LYS  15           QD       LYS  15   0.088   1.380 -18.866
  147    QE   LYS  15           QE       LYS  15   1.107   2.451 -20.713
  148    QZ   LYS  15           QZ       LYS  15   0.080   0.961 -22.048
  149    H    ALA  16           HN       ALA  16   3.311   0.034 -14.385
  150    HA   ALA  16           HA       ALA  16   6.113  -0.830 -14.673
  151   1HB   ALA  16          2HB       ALA  16   5.156   1.675 -13.251
  152   2HB   ALA  16          3HB       ALA  16   6.671   0.849 -12.789
  153   3HB   ALA  16          1HB       ALA  16   6.460   1.513 -14.424
  154    QB   ALA  16           QB       ALA  16   6.096   1.346 -13.488
  155    H    ARG  17           HN       ARG  17   6.820  -1.803 -12.609
  156    HA   ARG  17           HA       ARG  17   4.552  -2.887 -11.043
  157   1HB   ARG  17          2HB       ARG  17   6.783  -4.398 -12.293
  158   2HB   ARG  17          3HB       ARG  17   5.850  -5.126 -11.042
  159   1HG   ARG  17          2HG       ARG  17   5.482  -5.986 -13.327
  160   2HG   ARG  17          3HG       ARG  17   4.044  -5.664 -12.410
  161   1HD   ARG  17          2HD       ARG  17   5.071  -3.738 -14.510
  162   2HD   ARG  17          3HD       ARG  17   4.021  -5.136 -14.832
  163    HE   ARG  17           HE       ARG  17   3.221  -3.112 -12.791
  164   1HH1  ARG  17          2HH2      ARG  17   2.856  -4.096 -16.110
  165   2HH1  ARG  17          1HH2      ARG  17   1.271  -3.408 -16.316
  166   1HH2  ARG  17          2HH1      ARG  17   1.131  -2.270 -12.939
  167   2HH2  ARG  17          1HH1      ARG  17   0.285  -2.261 -14.453
  168    QB   ARG  17           QB       ARG  17   6.316  -4.762 -11.668
  169    QG   ARG  17           QG       ARG  17   4.763  -5.825 -12.868
  170    QD   ARG  17           QD       ARG  17   4.546  -4.437 -14.671
  171    QH1  ARG  17           QH2      ARG  17   2.063  -3.752 -16.213
  172    QH2  ARG  17           QH1      ARG  17   0.708  -2.266 -13.696
  173    H    ILE  18           HN       ILE  18   5.624  -1.030  -9.914
  174    HA   ILE  18           HA       ILE  18   8.254  -1.475  -8.668
  175    HB   ILE  18           HB       ILE  18   6.133   0.646  -8.134
  176   1HG1  ILE  18          2HG1      ILE  18   8.580   0.567  -9.949
  177   2HG1  ILE  18          3HG1      ILE  18   6.886   0.681 -10.441
  178   1HG2  ILE  18          3HG2      ILE  18   7.767   0.300  -6.256
  179   2HG2  ILE  18          1HG2      ILE  18   9.098   0.559  -7.400
  180   3HG2  ILE  18          2HG2      ILE  18   7.957   1.871  -7.027
  181   1HD1  ILE  18          1HD1      ILE  18   6.752   2.865  -9.180
  182   2HD1  ILE  18          2HD1      ILE  18   8.533   2.823  -9.103
  183   3HD1  ILE  18          3HD1      ILE  18   7.710   2.850 -10.677
  184    QG1  ILE  18           QG1      ILE  18   7.733   0.624 -10.195
  185    QG2  ILE  18           QG2      ILE  18   8.274   0.910  -6.894
  186    QD1  ILE  18           QD1      ILE  18   7.665   2.846  -9.654
  187    H    ILE  19           HN       ILE  19   8.429  -2.912  -6.997
  188    HA   ILE  19           HA       ILE  19   6.189  -3.921  -5.552
  189    HB   ILE  19           HB       ILE  19   9.119  -3.869  -4.757
  190   1HG1  ILE  19          2HG1      ILE  19   8.709  -4.999  -6.965
  191   2HG1  ILE  19          3HG1      ILE  19   9.362  -6.043  -5.711
  192   1HG2  ILE  19          2HG2      ILE  19   6.776  -5.526  -3.709
  193   2HG2  ILE  19          3HG2      ILE  19   8.484  -5.873  -3.364
  194   3HG2  ILE  19          1HG2      ILE  19   7.754  -4.363  -2.803
  195   1HD1  ILE  19          2HD1      ILE  19   6.404  -5.950  -6.433
  196   2HD1  ILE  19          3HD1      ILE  19   7.573  -7.109  -7.086
  197   3HD1  ILE  19          1HD1      ILE  19   7.210  -7.111  -5.355
  198    QG1  ILE  19           QG1      ILE  19   9.035  -5.521  -6.338
  199    QG2  ILE  19           QG2      ILE  19   7.672  -5.254  -3.292
  200    QD1  ILE  19           QD1      ILE  19   7.062  -6.723  -6.291
  201    H    ARG  20           HN       ARG  20   5.066  -3.085  -3.918
  202    HA   ARG  20           HA       ARG  20   6.098  -0.869  -2.245
  203   1HB   ARG  20          2HB       ARG  20   3.638  -0.961  -4.048
  204   2HB   ARG  20          3HB       ARG  20   3.565  -0.033  -2.561
  205   1HG   ARG  20          2HG       ARG  20   5.618   0.432  -4.774
  206   2HG   ARG  20          3HG       ARG  20   4.140   1.372  -4.455
  207   1HD   ARG  20          2HD       ARG  20   5.067   1.516  -2.046
  208   2HD   ARG  20          3HD       ARG  20   6.655   1.216  -2.761
  209    HE   ARG  20           HE       ARG  20   5.906   3.195  -4.338
  210   1HH1  ARG  20          2HH2      ARG  20   5.378   2.932  -0.855
  211   2HH1  ARG  20          1HH2      ARG  20   4.830   4.551  -0.640
  212   1HH2  ARG  20          2HH1      ARG  20   5.692   5.484  -4.018
  213   2HH2  ARG  20          1HH1      ARG  20   5.405   6.121  -2.432
  214    QB   ARG  20           QB       ARG  20   3.602  -0.497  -3.305
  215    QG   ARG  20           QG       ARG  20   4.879   0.902  -4.614
  216    QD   ARG  20           QD       ARG  20   5.861   1.366  -2.404
  217    QH1  ARG  20           QH2      ARG  20   5.104   3.742  -0.748
  218    QH2  ARG  20           QH1      ARG  20   5.549   5.802  -3.225
  219    H    TYR  21           HN       TYR  21   4.409  -0.523  -0.389
  220    HA   TYR  21           HA       TYR  21   3.198  -3.122   0.292
  221   1HB   TYR  21          2HB       TYR  21   4.421  -1.378   2.399
  222   2HB   TYR  21          3HB       TYR  21   3.881  -2.999   2.569
  223    HD1  TYR  21           HD1      TYR  21   6.530  -1.333   0.359
  224    HD2  TYR  21           HD2      TYR  21   5.610  -4.382   3.264
  225    HE1  TYR  21           HE1      TYR  21   8.608  -2.504  -0.223
  226    HE2  TYR  21           HE2      TYR  21   7.842  -5.371   2.890
  227    HH   TYR  21           HH       TYR  21   9.725  -5.401   1.537
  228    QB   TYR  21           QB       TYR  21   4.151  -2.189   2.484
  229    QR   TYR  21           QR       TYR  21   7.147  -3.397   1.573
  230    H    PHE  22           HN       PHE  22   1.632  -2.897   2.131
  231    HA   PHE  22           HA       PHE  22   0.184  -0.382   2.286
  232   1HB   PHE  22          2HB       PHE  22  -1.839  -1.011   1.312
  233   2HB   PHE  22          3HB       PHE  22  -0.658  -1.224   0.067
  234    HD1  PHE  22          2HD       PHE  22   0.361  -3.919   0.294
  235    HD2  PHE  22          1HD       PHE  22  -3.623  -2.477   1.128
  236    HE1  PHE  22          2HE       PHE  22  -0.550  -6.168  -0.159
  237    HE2  PHE  22          1HE       PHE  22  -4.523  -4.724   0.665
  238    HZ   PHE  22           HZ       PHE  22  -3.000  -6.576  -0.009
  239    QB   PHE  22           QB       PHE  22  -1.249  -1.117   0.690
  240    QR   PHE  22           QR       PHE  22  -2.084  -4.322   0.482
  241    H    TYR  23           HN       TYR  23  -1.427  -0.531   3.983
  242    HA   TYR  23           HA       TYR  23  -1.191  -2.894   5.758
  243   1HB   TYR  23          2HB       TYR  23  -1.475  -0.613   6.705
  244   2HB   TYR  23          3HB       TYR  23  -3.033  -0.496   5.891
  245    HD1  TYR  23           HD2      TYR  23  -4.822  -2.274   6.439
  246    HD2  TYR  23           HD1      TYR  23  -1.326  -1.660   8.885
  247    HE1  TYR  23           HE2      TYR  23  -6.110  -2.902   8.444
  248    HE2  TYR  23           HE1      TYR  23  -2.603  -2.439  10.873
  249    HH   TYR  23           HH       TYR  23  -4.753  -3.225  11.688
  250    QB   TYR  23           QB       TYR  23  -2.254  -0.554   6.298
  251    QR   TYR  23           QR       TYR  23  -3.715  -2.319   8.660
  252    H    ASN  24           HN       ASN  24  -2.430  -4.665   5.372
  253    HA   ASN  24           HA       ASN  24  -4.841  -4.396   3.561
  254   1HB   ASN  24          2HB       ASN  24  -3.242  -5.984   2.793
  255   2HB   ASN  24          3HB       ASN  24  -3.173  -6.788   4.367
  256   1HD2  ASN  24          2HD2      ASN  24  -5.217  -9.020   2.439
  257   2HD2  ASN  24          1HD2      ASN  24  -3.556  -8.679   2.924
  258    QB   ASN  24           QB       ASN  24  -3.208  -6.386   3.580
  259    QD2  ASN  24           QD2      ASN  24  -4.386  -8.849   2.682
  260    H    ALA  25           HN       ALA  25  -6.481  -3.781   5.009
  261    HA   ALA  25           HA       ALA  25  -6.954  -4.751   7.585
  262   1HB   ALA  25          3HB       ALA  25  -8.867  -4.009   5.333
  263   2HB   ALA  25          1HB       ALA  25  -9.354  -4.299   7.013
  264   3HB   ALA  25          2HB       ALA  25  -8.248  -2.955   6.633
  265    QB   ALA  25           QB       ALA  25  -8.823  -3.754   6.326
  266    H    LYS  26           HN       LYS  26  -7.083  -6.650   4.596
  267    HA   LYS  26           HA       LYS  26  -9.133  -8.414   5.718
  268   1HB   LYS  26          2HB       LYS  26  -8.609  -7.941   3.247
  269   2HB   LYS  26          3HB       LYS  26  -7.307  -9.121   3.412
  270   1HG   LYS  26          2HG       LYS  26 -10.125  -9.819   4.328
  271   2HG   LYS  26          3HG       LYS  26  -9.817  -9.739   2.602
  272   1HD   LYS  26          2HD       LYS  26  -8.114 -11.431   4.461
  273   2HD   LYS  26          3HD       LYS  26  -9.596 -12.033   3.730
  274   1HE   LYS  26          2HE       LYS  26  -8.742 -12.009   1.559
  275   2HE   LYS  26          3HE       LYS  26  -7.534 -10.770   1.905
  276   1HZ   LYS  26          3HZ       LYS  26  -7.408 -13.536   2.897
  277   2HZ   LYS  26          1HZ       LYS  26  -6.533 -12.918   1.646
  278   3HZ   LYS  26          2HZ       LYS  26  -6.296 -12.354   3.171
  279    QB   LYS  26           QB       LYS  26  -7.958  -8.531   3.330
  280    QG   LYS  26           QG       LYS  26  -9.971  -9.779   3.465
  281    QD   LYS  26           QD       LYS  26  -8.855 -11.732   4.096
  282    QE   LYS  26           QE       LYS  26  -8.138 -11.390   1.732
  283    QZ   LYS  26           QZ       LYS  26  -6.746 -12.936   2.571
  284    H    ALA  27           HN       ALA  27  -5.692  -8.014   6.020
  285    HA   ALA  27           HA       ALA  27  -5.469 -10.577   7.571
  286   1HB   ALA  27          2HB       ALA  27  -3.729  -9.251   5.555
  287   2HB   ALA  27          3HB       ALA  27  -2.909  -9.974   6.963
  288   3HB   ALA  27          1HB       ALA  27  -3.954 -10.960   5.918
  289    QB   ALA  27           QB       ALA  27  -3.531 -10.062   6.145
  290    H    GLY  28           HN       GLY  28  -5.389  -7.117   7.729
  291   1HA   GLY  28          1HA       GLY  28  -4.985  -5.660   9.410
  292   2HA   GLY  28          2HA       GLY  28  -5.086  -7.005  10.561
  293    QA   GLY  28           QA       GLY  28  -5.036  -6.332   9.985
  294    H    LEU  29           HN       LEU  29  -2.816  -6.261   7.830
  295    HA   LEU  29           HA       LEU  29  -0.571  -5.908   9.608
  296   1HB   LEU  29          2HB       LEU  29  -1.160  -8.432   9.556
  297   2HB   LEU  29          3HB       LEU  29  -0.640  -8.453   7.890
  298    HG   LEU  29           HG       LEU  29   0.861  -9.333   9.719
  299   1HD1  LEU  29          1HD1      LEU  29   1.651  -8.675   7.373
  300   2HD1  LEU  29          2HD1      LEU  29   2.389  -7.259   8.166
  301   3HD1  LEU  29          3HD1      LEU  29   2.858  -8.883   8.653
  302   1HD2  LEU  29          1HD2      LEU  29   0.529  -7.460  11.336
  303   2HD2  LEU  29          2HD2      LEU  29   2.232  -7.861  11.037
  304   3HD2  LEU  29          3HD2      LEU  29   1.520  -6.429  10.279
  305    QB   LEU  29           QB       LEU  29  -0.900  -8.442   8.723
  306    QD1  LEU  29           QD1      LEU  29   2.299  -8.272   8.064
  307    QD2  LEU  29           QD2      LEU  29   1.427  -7.250  10.884
  308    QQD  LEU  29           QQD      LEU  29   1.863  -7.761   9.474
  309    H    CYS  30           HN       CYS  30   1.421  -5.470   8.316
  310    HA   CYS  30           HA       CYS  30   0.742  -3.997   5.851
  311   1HB   CYS  30          2HB       CYS  30   3.231  -4.283   7.577
  312   2HB   CYS  30          3HB       CYS  30   3.123  -3.250   6.150
  313    QB   CYS  30           QB       CYS  30   3.177  -3.767   6.863
  314    H    GLN  31           HN       GLN  31   1.077  -4.790   3.863
  315    HA   GLN  31           HA       GLN  31   2.747  -7.254   3.478
  316   1HB   GLN  31          2HB       GLN  31  -0.136  -6.648   2.811
  317   2HB   GLN  31          3HB       GLN  31   0.755  -7.722   1.754
  318   1HG   GLN  31          2HG       GLN  31   0.755  -9.455   3.168
  319   2HG   GLN  31          3HG       GLN  31   1.100  -8.465   4.588
  320   1HE2  GLN  31          2HE2      GLN  31  -2.223  -8.118   5.645
  321   2HE2  GLN  31          1HE2      GLN  31  -0.626  -7.451   5.734
  322    QB   GLN  31           QB       GLN  31   0.310  -7.185   2.283
  323    QG   GLN  31           QG       GLN  31   0.928  -8.960   3.878
  324    QE2  GLN  31           QE2      GLN  31  -1.425  -7.785   5.689
  325    H    THR  32           HN       THR  32   3.128  -7.654   1.202
  326    HA   THR  32           HA       THR  32   4.039  -5.178  -0.099
  327    HB   THR  32           HB       THR  32   5.398  -6.709  -1.459
  328    HG1  THR  32          1HG       THR  32   3.895  -8.522  -1.334
  329   1HG2  THR  32          2HG2      THR  32   5.708  -6.229   1.308
  330   2HG2  THR  32          3HG2      THR  32   6.060  -7.946   1.118
  331   3HG2  THR  32          1HG2      THR  32   6.966  -6.752   0.171
  332    QG2  THR  32           QG2      THR  32   6.245  -6.976   0.866
  333    H    PHE  33           HN       PHE  33   3.576  -4.834  -2.416
  334    HA   PHE  33           HA       PHE  33   1.949  -6.709  -3.867
  335   1HB   PHE  33          2HB       PHE  33   0.067  -5.379  -4.322
  336   2HB   PHE  33          3HB       PHE  33   0.211  -5.349  -2.579
  337    HD1  PHE  33          2HD       PHE  33   1.597  -3.243  -1.607
  338    HD2  PHE  33          1HD       PHE  33  -0.355  -3.374  -5.448
  339    HE1  PHE  33          2HE       PHE  33   1.305  -0.770  -1.572
  340    HE2  PHE  33          1HE       PHE  33  -0.574  -0.922  -5.427
  341    HZ   PHE  33           HZ       PHE  33   0.209   0.385  -3.445
  342    QB   PHE  33           QB       PHE  33   0.139  -5.364  -3.450
  343    QR   PHE  33           QR       PHE  33   0.493  -2.077  -3.514
  344    H    VAL  34           HN       VAL  34   1.624  -5.732  -6.167
  345    HA   VAL  34           HA       VAL  34   4.069  -4.213  -6.938
  346    HB   VAL  34           HB       VAL  34   1.976  -5.715  -8.582
  347   1HG1  VAL  34          2HG1      VAL  34   4.423  -4.065  -9.280
  348   2HG1  VAL  34          3HG1      VAL  34   3.659  -5.189 -10.420
  349   3HG1  VAL  34          1HG1      VAL  34   2.771  -3.773  -9.877
  350   1HG2  VAL  34          1HG2      VAL  34   3.638  -7.164  -7.331
  351   2HG2  VAL  34          2HG2      VAL  34   3.811  -7.248  -9.090
  352   3HG2  VAL  34          3HG2      VAL  34   4.945  -6.274  -8.142
  353    QG1  VAL  34           QG1      VAL  34   3.618  -4.342  -9.859
  354    QG2  VAL  34           QG2      VAL  34   4.131  -6.895  -8.188
  355    QQG  VAL  34           QQG      VAL  34   3.875  -5.619  -9.024
  356    H    TYR  35           HN       TYR  35   3.874  -2.067  -7.434
  357    HA   TYR  35           HA       TYR  35   1.154  -0.895  -7.812
  358   1HB   TYR  35          2HB       TYR  35   2.067  -0.133  -5.731
  359   2HB   TYR  35          3HB       TYR  35   3.678   0.002  -6.415
  360    HD1  TYR  35           HD1      TYR  35   0.248   1.513  -6.886
  361    HD2  TYR  35           HD2      TYR  35   4.519   2.067  -6.959
  362    HE1  TYR  35           HE1      TYR  35  -0.050   3.986  -7.213
  363    HE2  TYR  35           HE2      TYR  35   4.183   4.526  -7.150
  364    HH   TYR  35           HH       TYR  35   2.718   6.136  -7.799
  365    QB   TYR  35           QB       TYR  35   2.872  -0.066  -6.073
  366    QR   TYR  35           QR       TYR  35   2.225   3.023  -7.052
  367    H    GLY  36           HN       GLY  36   1.006   0.580  -9.451
  368   1HA   GLY  36          1HA       GLY  36   2.494   0.504 -11.817
  369   2HA   GLY  36          2HA       GLY  36   1.437   1.792 -11.289
  370    QA   GLY  36           QA       GLY  36   1.965   1.148 -11.553
  371    H    GLY  37           HN       GLY  37   2.291   3.655 -10.275
  372   1HA   GLY  37          1HA       GLY  37   4.903   4.086  -9.369
  373   2HA   GLY  37          2HA       GLY  37   4.967   4.339 -11.124
  374    QA   GLY  37           QA       GLY  37   4.935   4.212 -10.246
  375    H    CYS  38           HN       CYS  38   2.695   5.453 -11.787
  376    HA   CYS  38           HA       CYS  38   2.648   8.067 -10.401
  377   1HB   CYS  38          2HB       CYS  38   1.003   8.546 -12.373
  378   2HB   CYS  38          3HB       CYS  38   2.744   8.646 -12.562
  379    QB   CYS  38           QB       CYS  38   1.873   8.596 -12.468
  380    H    ARG  39           HN       ARG  39   0.716   9.016  -9.748
  381    HA   ARG  39           HA       ARG  39  -1.229   9.179  -8.632
  382   1HB   ARG  39          2HB       ARG  39  -2.121   6.799 -10.293
  383   2HB   ARG  39          3HB       ARG  39  -3.160   7.869  -9.366
  384   1HG   ARG  39          2HG       ARG  39  -3.267   9.394 -10.956
  385   2HG   ARG  39          3HG       ARG  39  -1.523   9.546 -11.052
  386   1HD   ARG  39          2HD       ARG  39  -1.510   8.570 -13.090
  387   2HD   ARG  39          3HD       ARG  39  -2.156   7.099 -12.416
  388    HE   ARG  39           HE       ARG  39  -4.180   7.549 -13.340
  389   1HH1  ARG  39          2HH2      ARG  39  -2.419  10.573 -13.060
  390   2HH1  ARG  39          1HH2      ARG  39  -3.553  11.532 -13.963
  391   1HH2  ARG  39          2HH1      ARG  39  -5.755   8.778 -14.528
  392   2HH2  ARG  39          1HH1      ARG  39  -5.511  10.469 -14.802
  393    QB   ARG  39           QB       ARG  39  -2.640   7.334  -9.830
  394    QG   ARG  39           QG       ARG  39  -2.395   9.470 -11.004
  395    QD   ARG  39           QD       ARG  39  -1.833   7.834 -12.753
  396    QH1  ARG  39           QH2      ARG  39  -2.986  11.052 -13.511
  397    QH2  ARG  39           QH1      ARG  39  -5.633   9.624 -14.665
  398    H    ALA  40           HN       ALA  40   0.487   8.301  -6.956
  399    HA   ALA  40           HA       ALA  40  -0.048   5.698  -5.861
  400   1HB   ALA  40          1HB       ALA  40   2.092   7.143  -5.652
  401   2HB   ALA  40          2HB       ALA  40   1.239   7.896  -4.288
  402   3HB   ALA  40          3HB       ALA  40   1.546   6.136  -4.297
  403    QB   ALA  40           QB       ALA  40   1.626   7.058  -4.746
  404    H    LYS  41           HN       LYS  41  -1.308   5.117  -4.062
  405    HA   LYS  41           HA       LYS  41  -3.343   7.071  -3.144
  406   1HB   LYS  41          2HB       LYS  41  -2.915   4.106  -2.560
  407   2HB   LYS  41          3HB       LYS  41  -4.253   5.063  -1.928
  408   1HG   LYS  41          2HG       LYS  41  -3.718   4.532  -4.868
  409   2HG   LYS  41          3HG       LYS  41  -4.923   3.757  -3.815
  410   1HD   LYS  41          2HD       LYS  41  -5.604   6.362  -3.396
  411   2HD   LYS  41          3HD       LYS  41  -4.896   6.507  -5.026
  412   1HE   LYS  41          2HE       LYS  41  -6.388   4.615  -5.740
  413   2HE   LYS  41          3HE       LYS  41  -7.112   4.595  -4.121
  414   1HZ   LYS  41          1HZ       LYS  41  -7.139   7.118  -5.555
  415   2HZ   LYS  41          2HZ       LYS  41  -8.133   5.935  -6.119
  416   3HZ   LYS  41          3HZ       LYS  41  -8.276   6.450  -4.565
  417    QB   LYS  41           QB       LYS  41  -3.584   4.585  -2.244
  418    QG   LYS  41           QG       LYS  41  -4.320   4.145  -4.341
  419    QD   LYS  41           QD       LYS  41  -5.250   6.435  -4.211
  420    QE   LYS  41           QE       LYS  41  -6.750   4.605  -4.931
  421    QZ   LYS  41           QZ       LYS  41  -7.849   6.501  -5.413
  422    H    ARG  42           HN       ARG  42  -3.786   6.620  -0.660
  423    HA   ARG  42           HA       ARG  42  -1.442   7.714   0.745
  424   1HB   ARG  42          2HB       ARG  42  -4.246   6.965   1.677
  425   2HB   ARG  42          3HB       ARG  42  -2.988   7.589   2.742
  426   1HG   ARG  42          2HG       ARG  42  -2.794   9.575   1.052
  427   2HG   ARG  42          3HG       ARG  42  -4.334   8.984   0.407
  428   1HD   ARG  42          2HD       ARG  42  -4.928   9.012   3.070
  429   2HD   ARG  42          3HD       ARG  42  -3.709  10.274   3.075
  430    HE   ARG  42           HE       ARG  42  -6.426  10.336   2.070
  431   1HH1  ARG  42          2HH2      ARG  42  -3.269  11.774   1.485
  432   2HH1  ARG  42          1HH2      ARG  42  -3.877  13.298   0.909
  433   1HH2  ARG  42          2HH1      ARG  42  -7.288  12.333   1.332
  434   2HH2  ARG  42          1HH1      ARG  42  -6.239  13.606   0.802
  435    QB   ARG  42           QB       ARG  42  -3.617   7.277   2.209
  436    QG   ARG  42           QG       ARG  42  -3.564   9.280   0.729
  437    QD   ARG  42           QD       ARG  42  -4.318   9.643   3.073
  438    QH1  ARG  42           QH2      ARG  42  -3.573  12.536   1.197
  439    QH2  ARG  42           QH1      ARG  42  -6.764  12.970   1.067
  440    H    ASN  43           HN       ASN  43  -3.024   4.569   0.401
  441    HA   ASN  43           HA       ASN  43  -1.705   3.433   2.759
  442   1HB   ASN  43          2HB       ASN  43  -4.071   3.001   2.035
  443   2HB   ASN  43          3HB       ASN  43  -3.418   2.249   0.574
  444   1HD2  ASN  43          2HD2      ASN  43  -4.149  -0.661   2.603
  445   2HD2  ASN  43          1HD2      ASN  43  -4.728   0.429   1.302
  446    QB   ASN  43           QB       ASN  43  -3.745   2.625   1.304
  447    QD2  ASN  43           QD2      ASN  43  -4.438  -0.116   1.952
  448    H    ASN  44           HN       ASN  44   0.359   4.245   1.314
  449    HA   ASN  44           HA       ASN  44   1.367   1.936  -0.346
  450   1HB   ASN  44          2HB       ASN  44   0.871   4.783  -1.165
  451   2HB   ASN  44          3HB       ASN  44   2.287   3.945  -1.803
  452   1HD2  ASN  44          2HD2      ASN  44   0.465   2.560  -4.405
  453   2HD2  ASN  44          1HD2      ASN  44   1.930   3.344  -3.857
  454    QB   ASN  44           QB       ASN  44   1.579   4.364  -1.484
  455    QD2  ASN  44           QD2      ASN  44   1.198   2.952  -4.131
  456    H    PHE  45           HN       PHE  45   2.855   1.344   1.225
  457    HA   PHE  45           HA       PHE  45   4.789   3.420   2.183
  458   1HB   PHE  45          2HB       PHE  45   4.236   0.676   3.319
  459   2HB   PHE  45          3HB       PHE  45   5.105   1.996   4.088
  460    HD1  PHE  45          2HD       PHE  45   3.792   4.248   4.413
  461    HD2  PHE  45          1HD       PHE  45   1.869   0.468   3.620
  462    HE1  PHE  45          2HE       PHE  45   1.641   5.181   5.134
  463    HE2  PHE  45          1HE       PHE  45  -0.244   1.352   4.574
  464    HZ   PHE  45           HZ       PHE  45  -0.371   3.700   5.348
  465    QB   PHE  45           QB       PHE  45   4.670   1.336   3.704
  466    QR   PHE  45           QR       PHE  45   1.764   2.812   4.435
  467    H    LYS  46           HN       LYS  46   7.023   2.392   2.690
  468    HA   LYS  46           HA       LYS  46   7.937   0.878   0.284
  469   1HB   LYS  46          2HB       LYS  46   9.522   2.578   2.242
  470   2HB   LYS  46          3HB       LYS  46  10.081   1.872   0.735
  471   1HG   LYS  46          2HG       LYS  46   7.730   3.437   0.106
  472   2HG   LYS  46          3HG       LYS  46   8.688   4.355   1.261
  473   1HD   LYS  46          2HD       LYS  46   9.347   4.968  -0.988
  474   2HD   LYS  46          3HD       LYS  46  10.685   4.041  -0.284
  475   1HE   LYS  46          2HE       LYS  46   9.956   2.002  -1.511
  476   2HE   LYS  46          3HE       LYS  46   8.504   2.831  -2.079
  477   1HZ   LYS  46          2HZ       LYS  46   9.925   4.307  -3.342
  478   2HZ   LYS  46          3HZ       LYS  46  11.270   3.519  -2.812
  479   3HZ   LYS  46          1HZ       LYS  46  10.179   2.736  -3.757
  480    QB   LYS  46           QB       LYS  46   9.801   2.225   1.489
  481    QG   LYS  46           QG       LYS  46   8.209   3.896   0.684
  482    QD   LYS  46           QD       LYS  46  10.016   4.505  -0.636
  483    QE   LYS  46           QE       LYS  46   9.230   2.417  -1.795
  484    QZ   LYS  46           QZ       LYS  46  10.458   3.521  -3.304
  485    H    SER  47           HN       SER  47   7.462   0.704   3.733
  486    HA   SER  47           HA       SER  47   8.553  -2.014   3.749
  487   1HB   SER  47          2HB       SER  47   9.945  -1.580   5.731
  488   2HB   SER  47          3HB       SER  47  10.463  -0.529   4.405
  489    HG   SER  47           HG       SER  47  10.232   0.764   6.210
  490    QB   SER  47           QB       SER  47  10.204  -1.055   5.068
  491    H    ALA  48           HN       ALA  48   7.894  -3.141   5.736
  492    HA   ALA  48           HA       ALA  48   5.229  -2.554   6.555
  493   1HB   ALA  48          2HB       ALA  48   6.107  -4.846   6.572
  494   2HB   ALA  48          3HB       ALA  48   7.307  -4.395   7.809
  495   3HB   ALA  48          1HB       ALA  48   5.577  -4.376   8.200
  496    QB   ALA  48           QB       ALA  48   6.331  -4.539   7.527
  497    H    GLU  49           HN       GLU  49   8.415  -1.758   7.865
  498    HA   GLU  49           HA       GLU  49   7.762  -0.858  10.432
  499   1HB   GLU  49          2HB       GLU  49   9.788   0.205   8.414
  500   2HB   GLU  49          3HB       GLU  49   9.776   0.604  10.123
  501   1HG   GLU  49          2HG       GLU  49   9.758  -2.344   9.567
  502   2HG   GLU  49          3HG       GLU  49  11.185  -1.475   8.986
  503    QB   GLU  49           QB       GLU  49   9.782   0.405   9.268
  504    QG   GLU  49           QG       GLU  49  10.471  -1.910   9.276
  505    H    ASP  50           HN       ASP  50   7.932   1.040   7.370
  506    HA   ASP  50           HA       ASP  50   6.976   3.475   8.606
  507   1HB   ASP  50          2HB       ASP  50   7.449   2.502   5.770
  508   2HB   ASP  50          3HB       ASP  50   6.403   3.906   6.003
  509    QB   ASP  50           QB       ASP  50   6.926   3.204   5.887
  510    H    CYS  51           HN       CYS  51   5.437   0.929   6.691
  511    HA   CYS  51           HA       CYS  51   2.812   1.925   6.577
  512   1HB   CYS  51          2HB       CYS  51   3.493  -0.093   5.406
  513   2HB   CYS  51          3HB       CYS  51   3.879  -0.881   6.906
  514    QB   CYS  51           QB       CYS  51   3.686  -0.487   6.156
  515    H    MET  52           HN       MET  52   4.155  -0.161   9.220
  516    HA   MET  52           HA       MET  52   1.810   0.179  10.806
  517   1HB   MET  52          2HB       MET  52   4.668  -0.653  11.477
  518   2HB   MET  52          3HB       MET  52   3.424  -0.429  12.703
  519   1HG   MET  52          2HG       MET  52   2.011  -1.994  11.012
  520   2HG   MET  52          3HG       MET  52   3.644  -2.586  10.678
  521   1HE   MET  52          3HE       MET  52   1.183  -4.293  11.778
  522   2HE   MET  52          1HE       MET  52   2.815  -4.971  11.497
  523   3HE   MET  52          2HE       MET  52   1.976  -5.265  13.043
  524    QB   MET  52           QB       MET  52   4.046  -0.541  12.090
  525    QG   MET  52           QG       MET  52   2.828  -2.290  10.845
  526    QE   MET  52           QE       MET  52   1.991  -4.843  12.106
  527    H    ARG  53           HN       ARG  53   4.919   1.981  10.783
  528    HA   ARG  53           HA       ARG  53   4.354   3.653  12.964
  529   1HB   ARG  53          2HB       ARG  53   6.510   3.412  11.705
  530   2HB   ARG  53          3HB       ARG  53   5.841   4.454  10.435
  531   1HG   ARG  53          2HG       ARG  53   5.647   6.308  11.979
  532   2HG   ARG  53          3HG       ARG  53   6.071   5.288  13.365
  533   1HD   ARG  53          2HD       ARG  53   7.906   5.761  10.971
  534   2HD   ARG  53          3HD       ARG  53   7.974   6.761  12.409
  535    HE   ARG  53           HE       ARG  53   8.924   4.009  12.036
  536   1HH1  ARG  53          2HH2      ARG  53   7.942   6.349  14.468
  537   2HH1  ARG  53          1HH2      ARG  53   8.995   5.763  15.721
  538   1HH2  ARG  53          2HH1      ARG  53  10.324   3.156  13.679
  539   2HH2  ARG  53          1HH1      ARG  53  10.375   3.882  15.250
  540    QB   ARG  53           QB       ARG  53   6.175   3.933  11.070
  541    QG   ARG  53           QG       ARG  53   5.859   5.798  12.672
  542    QD   ARG  53           QD       ARG  53   7.940   6.261  11.690
  543    QH1  ARG  53           QH2      ARG  53   8.469   6.056  15.095
  544    QH2  ARG  53           QH1      ARG  53  10.349   3.519  14.464
  545    H    THR  54           HN       THR  54   3.153   3.785   9.637
  546    HA   THR  54           HA       THR  54   1.757   6.314  10.041
  547    HB   THR  54           HB       THR  54   1.643   4.294   7.766
  548    HG1  THR  54          1HG       THR  54   3.668   5.195   8.090
  549   1HG2  THR  54          3HG2      THR  54   0.404   7.026   8.228
  550   2HG2  THR  54          1HG2      THR  54   0.864   6.544   6.597
  551   3HG2  THR  54          2HG2      THR  54  -0.307   5.567   7.501
  552    QG2  THR  54           QG2      THR  54   0.320   6.379   7.442
  553    H    CYS  55           HN       CYS  55   0.601   2.912   9.517
  554    HA   CYS  55           HA       CYS  55  -2.012   3.658  10.770
  555   1HB   CYS  55          2HB       CYS  55  -1.992   3.749   8.220
  556   2HB   CYS  55          3HB       CYS  55  -1.859   1.981   8.252
  557    QB   CYS  55           QB       CYS  55  -1.925   2.865   8.236
  558    H    GLY  56           HN       GLY  56   0.271   2.105  11.925
  559   1HA   GLY  56          1HA       GLY  56  -0.755  -0.683  12.035
  560   2HA   GLY  56          2HA       GLY  56   0.715  -0.029  12.762
  561    QA   GLY  56           QA       GLY  56  -0.020  -0.356  12.398
  562    H    GLY  57           HN       GLY  57  -2.661  -0.697  13.351
  563   1HA   GLY  57          1HA       GLY  57  -2.320  -0.200  16.171
  564   2HA   GLY  57          2HA       GLY  57  -3.276   1.084  15.402
  565    QA   GLY  57           QA       GLY  57  -2.798   0.442  15.787
  566    H    ALA  58           HN       ALA  58  -3.046  -2.341  16.080
  567    HA   ALA  58           HA       ALA  58  -4.405  -4.111  15.929
  568   1HB   ALA  58          2HB       ALA  58  -6.012  -2.756  17.331
  569   2HB   ALA  58          3HB       ALA  58  -6.820  -2.254  15.826
  570   3HB   ALA  58          1HB       ALA  58  -6.765  -3.970  16.276
  571    QB   ALA  58           QB       ALA  58  -6.533  -2.994  16.477
   
  No H/Q in entry =         571
  Start of MODEL    6
    1    H    ARG   1           HN       ARG   1  -6.603   6.365  13.585
    2    HA   ARG   1           HA       ARG   1  -5.480   4.798  12.190
    3   1HB   ARG   1          2HB       ARG   1  -6.244   2.756  13.212
    4   2HB   ARG   1          3HB       ARG   1  -7.933   3.084  12.744
    5   1HG   ARG   1          2HG       ARG   1  -7.266   2.891  10.334
    6   2HG   ARG   1          3HG       ARG   1  -5.628   2.471  10.851
    7   1HD   ARG   1          2HD       ARG   1  -8.118   0.837  11.591
    8   2HD   ARG   1          3HD       ARG   1  -7.236   0.663  10.096
    9    HE   ARG   1           HE       ARG   1  -5.429  -0.270  11.031
   10   1HH1  ARG   1          2HH2      ARG   1  -7.500   0.864  13.648
   11   2HH1  ARG   1          1HH2      ARG   1  -6.797  -0.139  14.878
   12   1HH2  ARG   1          2HH1      ARG   1  -4.734  -1.861  12.557
   13   2HH2  ARG   1          1HH1      ARG   1  -4.987  -1.601  14.262
   14    QB   ARG   1           QB       ARG   1  -7.088   2.920  12.978
   15    QG   ARG   1           QG       ARG   1  -6.447   2.681  10.592
   16    QD   ARG   1           QD       ARG   1  -7.677   0.750  10.843
   17    QH1  ARG   1           QH2      ARG   1  -7.149   0.362  14.263
   18    QH2  ARG   1           QH1      ARG   1  -4.861  -1.731  13.410
   19    HA   PRO   2           HA       PRO   2  -8.098   6.858   9.121
   20   1HB   PRO   2          2HB       PRO   2  -6.592   6.279   6.861
   21   2HB   PRO   2          3HB       PRO   2  -6.324   7.666   7.953
   22   1HG   PRO   2          2HG       PRO   2  -4.764   5.144   7.678
   23   2HG   PRO   2          3HG       PRO   2  -4.236   6.711   8.311
   24   1HD   PRO   2          2HD       PRO   2  -4.899   4.460   9.860
   25   2HD   PRO   2          3HD       PRO   2  -4.774   6.143  10.448
   26    QB   PRO   2           QB       PRO   2  -6.458   6.973   7.407
   27    QG   PRO   2           QG       PRO   2  -4.500   5.927   7.994
   28    QD   PRO   2           QD       PRO   2  -4.837   5.302  10.154
   29    H    ASP   3           HN       ASP   3  -9.750   6.273   7.808
   30    HA   ASP   3           HA       ASP   3 -10.541   3.568   7.388
   31   1HB   ASP   3          2HB       ASP   3 -11.928   5.718   7.551
   32   2HB   ASP   3          3HB       ASP   3 -11.420   6.105   5.898
   33    QB   ASP   3           QB       ASP   3 -11.674   5.911   6.724
   34    H    PHE   4           HN       PHE   4  -8.741   5.890   5.371
   35    HA   PHE   4           HA       PHE   4  -8.832   4.351   2.980
   36   1HB   PHE   4          2HB       PHE   4  -7.028   5.560   2.154
   37   2HB   PHE   4          3HB       PHE   4  -7.967   6.692   3.114
   38    HD1  PHE   4          1HD       PHE   4  -4.914   4.517   3.081
   39    HD2  PHE   4          2HD       PHE   4  -6.759   8.020   4.757
   40    HE1  PHE   4          1HE       PHE   4  -2.957   4.822   4.567
   41    HE2  PHE   4          2HE       PHE   4  -4.683   8.484   6.031
   42    HZ   PHE   4           HZ       PHE   4  -2.867   6.786   6.096
   43    QB   PHE   4           QB       PHE   4  -7.498   6.126   2.634
   44    QR   PHE   4           QR       PHE   4  -4.828   6.460   4.609
   45    H    CYS   5           HN       CYS   5  -7.182   3.695   6.027
   46    HA   CYS   5           HA       CYS   5  -5.050   2.153   4.924
   47   1HB   CYS   5          2HB       CYS   5  -5.520   3.058   7.398
   48   2HB   CYS   5          3HB       CYS   5  -6.201   1.440   7.610
   49    QB   CYS   5           QB       CYS   5  -5.861   2.249   7.504
   50    H    LEU   6           HN       LEU   6  -8.436   1.566   4.943
   51    HA   LEU   6           HA       LEU   6  -8.109  -1.369   4.662
   52   1HB   LEU   6          2HB       LEU   6 -10.616   0.342   4.825
   53   2HB   LEU   6          3HB       LEU   6 -10.504  -1.418   4.863
   54    HG   LEU   6           HG       LEU   6  -8.780  -0.640   6.941
   55   1HD1  LEU   6          3HD1      LEU   6 -11.110   1.265   6.975
   56   2HD1  LEU   6          1HD1      LEU   6 -10.138   0.804   8.392
   57   3HD1  LEU   6          2HD1      LEU   6  -9.353   1.603   7.043
   58   1HD2  LEU   6          2HD2      LEU   6 -10.493  -2.499   6.942
   59   2HD2  LEU   6          3HD2      LEU   6 -10.449  -1.549   8.430
   60   3HD2  LEU   6          1HD2      LEU   6 -11.737  -1.272   7.230
   61    QB   LEU   6           QB       LEU   6 -10.560  -0.538   4.844
   62    QD1  LEU   6           QD1      LEU   6 -10.200   1.224   7.470
   63    QD2  LEU   6           QD2      LEU   6 -10.893  -1.773   7.534
   64    QQD  LEU   6           QQD      LEU   6 -10.547  -0.275   7.502
   65    H    GLU   7           HN       GLU   7  -7.674   1.225   2.570
   66    HA   GLU   7           HA       GLU   7  -9.449   0.458   0.492
   67   1HB   GLU   7          2HB       GLU   7  -8.418   2.119  -0.806
   68   2HB   GLU   7          3HB       GLU   7  -8.508   2.755   0.830
   69   1HG   GLU   7          2HG       GLU   7  -6.034   1.968   0.954
   70   2HG   GLU   7          3HG       GLU   7  -6.111   1.811  -0.794
   71    QB   GLU   7           QB       GLU   7  -8.463   2.437   0.012
   72    QG   GLU   7           QG       GLU   7  -6.072   1.890   0.080
   73    HA   PRO   8           HA       PRO   8  -7.161  -2.896  -1.210
   74   1HB   PRO   8          2HB       PRO   8  -8.036  -2.981  -3.827
   75   2HB   PRO   8          3HB       PRO   8  -9.086  -3.371  -2.433
   76   1HG   PRO   8          2HG       PRO   8  -8.820  -0.694  -3.839
   77   2HG   PRO   8          3HG       PRO   8 -10.327  -1.609  -3.524
   78   1HD   PRO   8          2HD       PRO   8  -9.544   0.352  -1.858
   79   2HD   PRO   8          3HD       PRO   8 -10.179  -1.175  -1.176
   80    QB   PRO   8           QB       PRO   8  -8.561  -3.176  -3.130
   81    QG   PRO   8           QG       PRO   8  -9.574  -1.152  -3.682
   82    QD   PRO   8           QD       PRO   8  -9.861  -0.412  -1.517
   83    HA   PRO   9           HA       PRO   9  -3.452  -1.285  -2.994
   84   1HB   PRO   9          2HB       PRO   9  -2.489  -3.455  -4.408
   85   2HB   PRO   9          3HB       PRO   9  -2.474  -3.325  -2.621
   86   1HG   PRO   9          2HG       PRO   9  -4.491  -4.703  -4.418
   87   2HG   PRO   9          3HG       PRO   9  -3.695  -5.364  -2.955
   88   1HD   PRO   9          2HD       PRO   9  -6.178  -4.326  -2.831
   89   2HD   PRO   9          3HD       PRO   9  -5.006  -3.969  -1.531
   90    QB   PRO   9           QB       PRO   9  -2.482  -3.390  -3.514
   91    QG   PRO   9           QG       PRO   9  -4.093  -5.033  -3.686
   92    QD   PRO   9           QD       PRO   9  -5.592  -4.147  -2.181
   93    H    TYR  10           HN       TYR  10  -3.878   0.322  -4.434
   94    HA   TYR  10           HA       TYR  10  -5.156  -0.224  -7.023
   95   1HB   TYR  10          2HB       TYR  10  -5.719   1.589  -5.290
   96   2HB   TYR  10          3HB       TYR  10  -4.288   2.432  -5.851
   97    HD1  TYR  10           HD2      TYR  10  -4.226   3.146  -8.356
   98    HD2  TYR  10           HD1      TYR  10  -7.768   1.636  -6.418
   99    HE1  TYR  10           HE2      TYR  10  -5.653   4.105 -10.169
  100    HE2  TYR  10           HE1      TYR  10  -9.161   2.538  -8.256
  101    HH   TYR  10           HH       TYR  10  -7.772   4.170 -11.108
  102    QB   TYR  10           QB       TYR  10  -5.003   2.010  -5.571
  103    QR   TYR  10           QR       TYR  10  -6.702   2.856  -8.300
  104    H    THR  11           HN       THR  11  -3.559  -1.088  -8.473
  105    HA   THR  11           HA       THR  11  -0.871  -0.303  -8.435
  106    HB   THR  11           HB       THR  11  -2.569  -1.692 -10.499
  107    HG1  THR  11          1HG       THR  11  -1.045  -3.308  -9.888
  108   1HG2  THR  11          2HG2      THR  11  -0.885  -0.422 -11.890
  109   2HG2  THR  11          3HG2      THR  11   0.396  -1.156 -10.901
  110   3HG2  THR  11          1HG2      THR  11  -0.645  -2.170 -11.891
  111    QG2  THR  11           QG2      THR  11  -0.378  -1.249 -11.561
  112    H    GLY  12           HN       GLY  12  -3.565   1.126 -10.161
  113   1HA   GLY  12          1HA       GLY  12  -3.700   3.370 -10.824
  114   2HA   GLY  12          2HA       GLY  12  -1.945   3.557 -10.744
  115    QA   GLY  12           QA       GLY  12  -2.823   3.463 -10.784
  116    HA   PRO  13           HA       PRO  13  -3.025   2.122 -15.144
  117   1HB   PRO  13          2HB       PRO  13  -3.953   4.306 -16.465
  118   2HB   PRO  13          3HB       PRO  13  -5.048   3.254 -15.541
  119   1HG   PRO  13          2HG       PRO  13  -3.780   5.829 -14.583
  120   2HG   PRO  13          3HG       PRO  13  -5.518   5.398 -14.560
  121   1HD   PRO  13          2HD       PRO  13  -3.905   5.049 -12.390
  122   2HD   PRO  13          3HD       PRO  13  -5.193   3.868 -12.787
  123    QB   PRO  13           QB       PRO  13  -4.501   3.780 -16.003
  124    QG   PRO  13           QG       PRO  13  -4.649   5.613 -14.572
  125    QD   PRO  13           QD       PRO  13  -4.549   4.459 -12.589
  126    H    CYS  14           HN       CYS  14  -0.619   2.362 -14.003
  127    HA   CYS  14           HA       CYS  14   0.690   4.127 -15.996
  128   1HB   CYS  14          2HB       CYS  14   1.482   4.093 -13.076
  129   2HB   CYS  14          3HB       CYS  14   2.506   4.641 -14.415
  130    QB   CYS  14           QB       CYS  14   1.994   4.367 -13.745
  131    H    LYS  15           HN       LYS  15   2.465   3.289 -17.010
  132    HA   LYS  15           HA       LYS  15   2.145   0.436 -16.915
  133   1HB   LYS  15          2HB       LYS  15   1.782   1.875 -18.921
  134   2HB   LYS  15          3HB       LYS  15   3.531   2.091 -19.049
  135   1HG   LYS  15          2HG       LYS  15   2.692  -0.747 -18.754
  136   2HG   LYS  15          3HG       LYS  15   1.919   0.030 -20.128
  137   1HD   LYS  15          2HD       LYS  15   4.928  -0.095 -19.648
  138   2HD   LYS  15          3HD       LYS  15   4.029  -1.198 -20.678
  139   1HE   LYS  15          2HE       LYS  15   3.753   0.299 -22.383
  140   2HE   LYS  15          3HE       LYS  15   3.614   1.696 -21.317
  141   1HZ   LYS  15          2HZ       LYS  15   6.141   0.329 -21.955
  142   2HZ   LYS  15          3HZ       LYS  15   5.632   1.764 -22.576
  143   3HZ   LYS  15          1HZ       LYS  15   5.969   1.639 -20.972
  144    QB   LYS  15           QB       LYS  15   2.657   1.983 -18.985
  145    QG   LYS  15           QG       LYS  15   2.305  -0.358 -19.441
  146    QD   LYS  15           QD       LYS  15   4.479  -0.647 -20.163
  147    QE   LYS  15           QE       LYS  15   3.683   0.998 -21.850
  148    QZ   LYS  15           QZ       LYS  15   5.914   1.244 -21.834
  149    H    ALA  16           HN       ALA  16   3.396   0.598 -14.871
  150    HA   ALA  16           HA       ALA  16   6.179  -0.269 -15.298
  151   1HB   ALA  16          3HB       ALA  16   5.281   2.128 -13.631
  152   2HB   ALA  16          1HB       ALA  16   6.850   1.319 -13.389
  153   3HB   ALA  16          2HB       ALA  16   6.467   2.111 -14.934
  154    QB   ALA  16           QB       ALA  16   6.200   1.853 -13.985
  155    H    ARG  17           HN       ARG  17   6.935  -1.054 -12.941
  156    HA   ARG  17           HA       ARG  17   4.720  -2.096 -11.351
  157   1HB   ARG  17          2HB       ARG  17   6.865  -4.049 -11.879
  158   2HB   ARG  17          3HB       ARG  17   5.132  -4.262 -11.740
  159   1HG   ARG  17          2HG       ARG  17   5.570  -5.017 -13.867
  160   2HG   ARG  17          3HG       ARG  17   4.974  -3.398 -14.164
  161   1HD   ARG  17          2HD       ARG  17   6.890  -3.763 -15.553
  162   2HD   ARG  17          3HD       ARG  17   7.459  -2.649 -14.333
  163    HE   ARG  17           HE       ARG  17   8.085  -5.526 -14.672
  164   1HH1  ARG  17          2HH2      ARG  17   8.611  -2.788 -12.397
  165   2HH1  ARG  17          1HH2      ARG  17  10.250  -3.206 -12.123
  166   1HH2  ARG  17          2HH1      ARG  17  10.235  -6.109 -14.143
  167   2HH2  ARG  17          1HH1      ARG  17  11.145  -5.175 -13.004
  168    QB   ARG  17           QB       ARG  17   5.999  -4.155 -11.810
  169    QG   ARG  17           QG       ARG  17   5.272  -4.208 -14.016
  170    QD   ARG  17           QD       ARG  17   7.175  -3.206 -14.943
  171    QH1  ARG  17           QH2      ARG  17   9.431  -2.997 -12.260
  172    QH2  ARG  17           QH1      ARG  17  10.690  -5.642 -13.574
  173    H    ILE  18           HN       ILE  18   5.389  -1.721  -9.262
  174    HA   ILE  18           HA       ILE  18   8.275  -1.599  -8.549
  175    HB   ILE  18           HB       ILE  18   6.116   0.485  -7.932
  176   1HG1  ILE  18          2HG1      ILE  18   8.452   0.548  -9.867
  177   2HG1  ILE  18          3HG1      ILE  18   6.726   0.765 -10.201
  178   1HG2  ILE  18          2HG2      ILE  18   7.732   0.165  -6.108
  179   2HG2  ILE  18          3HG2      ILE  18   9.078   0.440  -7.239
  180   3HG2  ILE  18          1HG2      ILE  18   7.911   1.734  -6.877
  181   1HD1  ILE  18          2HD1      ILE  18   6.821   2.858  -8.728
  182   2HD1  ILE  18          3HD1      ILE  18   8.591   2.716  -8.821
  183   3HD1  ILE  18          1HD1      ILE  18   7.646   2.930 -10.301
  184    QG1  ILE  18           QG1      ILE  18   7.589   0.657 -10.034
  185    QG2  ILE  18           QG2      ILE  18   8.240   0.780  -6.741
  186    QD1  ILE  18           QD1      ILE  18   7.686   2.834  -9.283
  187    H    ILE  19           HN       ILE  19   8.502  -2.921  -6.715
  188    HA   ILE  19           HA       ILE  19   6.221  -3.914  -5.325
  189    HB   ILE  19           HB       ILE  19   9.099  -3.781  -4.380
  190   1HG1  ILE  19          2HG1      ILE  19   9.166  -5.016  -6.420
  191   2HG1  ILE  19          3HG1      ILE  19   9.224  -6.165  -5.095
  192   1HG2  ILE  19          2HG2      ILE  19   6.681  -5.381  -3.418
  193   2HG2  ILE  19          3HG2      ILE  19   8.350  -5.786  -2.986
  194   3HG2  ILE  19          1HG2      ILE  19   7.666  -4.236  -2.495
  195   1HD1  ILE  19          1HD1      ILE  19   6.568  -6.297  -5.516
  196   2HD1  ILE  19          2HD1      ILE  19   7.060  -5.682  -7.109
  197   3HD1  ILE  19          3HD1      ILE  19   7.727  -7.206  -6.499
  198    QG1  ILE  19           QG1      ILE  19   9.195  -5.590  -5.757
  199    QG2  ILE  19           QG2      ILE  19   7.565  -5.135  -2.966
  200    QD1  ILE  19           QD1      ILE  19   7.118  -6.395  -6.375
  201    H    ARG  20           HN       ARG  20   5.040  -3.053  -3.742
  202    HA   ARG  20           HA       ARG  20   6.078  -0.972  -1.955
  203   1HB   ARG  20          2HB       ARG  20   3.530  -0.727  -3.642
  204   2HB   ARG  20          3HB       ARG  20   3.855   0.281  -2.230
  205   1HG   ARG  20          2HG       ARG  20   5.574   0.220  -4.743
  206   2HG   ARG  20          3HG       ARG  20   4.343   1.422  -4.331
  207   1HD   ARG  20          2HD       ARG  20   5.548   2.083  -2.322
  208   2HD   ARG  20          3HD       ARG  20   6.820   0.915  -2.622
  209    HE   ARG  20           HE       ARG  20   6.157   3.324  -4.243
  210   1HH1  ARG  20          2HH2      ARG  20   8.397   0.602  -3.773
  211   2HH1  ARG  20          1HH2      ARG  20   9.804   1.475  -4.287
  212   1HH2  ARG  20          2HH1      ARG  20   7.922   4.344  -5.299
  213   2HH2  ARG  20          1HH1      ARG  20   9.464   3.565  -5.405
  214    QB   ARG  20           QB       ARG  20   3.693  -0.223  -2.936
  215    QG   ARG  20           QG       ARG  20   4.958   0.821  -4.537
  216    QD   ARG  20           QD       ARG  20   6.184   1.499  -2.472
  217    QH1  ARG  20           QH2      ARG  20   9.101   1.038  -4.030
  218    QH2  ARG  20           QH1      ARG  20   8.693   3.954  -5.352
  219    H    TYR  21           HN       TYR  21   4.223  -0.608  -0.236
  220    HA   TYR  21           HA       TYR  21   3.049  -3.257   0.355
  221   1HB   TYR  21          2HB       TYR  21   4.156  -1.503   2.517
  222   2HB   TYR  21          3HB       TYR  21   3.704  -3.161   2.627
  223    HD1  TYR  21           HD1      TYR  21   6.317  -1.320   0.495
  224    HD2  TYR  21           HD2      TYR  21   5.504  -4.417   3.377
  225    HE1  TYR  21           HE1      TYR  21   8.515  -2.291   0.049
  226    HE2  TYR  21           HE2      TYR  21   7.846  -5.176   3.163
  227    HH   TYR  21           HH       TYR  21   9.871  -4.902   2.051
  228    QB   TYR  21           QB       TYR  21   3.930  -2.332   2.572
  229    QR   TYR  21           QR       TYR  21   7.045  -3.301   1.771
  230    H    PHE  22           HN       PHE  22   1.414  -3.080   2.131
  231    HA   PHE  22           HA       PHE  22  -0.056  -0.573   2.311
  232   1HB   PHE  22          2HB       PHE  22  -2.110  -1.285   1.425
  233   2HB   PHE  22          3HB       PHE  22  -0.996  -1.331   0.121
  234    HD1  PHE  22          2HD       PHE  22   0.211  -4.026   0.204
  235    HD2  PHE  22          1HD       PHE  22  -3.815  -2.802   1.182
  236    HE1  PHE  22          2HE       PHE  22  -0.589  -6.334  -0.161
  237    HE2  PHE  22          1HE       PHE  22  -4.608  -5.097   0.746
  238    HZ   PHE  22           HZ       PHE  22  -2.998  -6.872   0.075
  239    QB   PHE  22           QB       PHE  22  -1.553  -1.308   0.773
  240    QR   PHE  22           QR       PHE  22  -2.200  -4.565   0.493
  241    H    TYR  23           HN       TYR  23  -1.524  -0.693   4.062
  242    HA   TYR  23           HA       TYR  23  -1.381  -2.992   5.874
  243   1HB   TYR  23          2HB       TYR  23  -1.810  -0.588   6.526
  244   2HB   TYR  23          3HB       TYR  23  -3.362  -0.739   5.698
  245    HD1  TYR  23           HD2      TYR  23  -5.128  -2.295   6.623
  246    HD2  TYR  23           HD1      TYR  23  -1.459  -1.446   8.727
  247    HE1  TYR  23           HE2      TYR  23  -6.193  -2.958   8.750
  248    HE2  TYR  23           HE1      TYR  23  -2.541  -2.076  10.860
  249    HH   TYR  23           HH       TYR  23  -5.855  -3.344  11.009
  250    QB   TYR  23           QB       TYR  23  -2.586  -0.663   6.112
  251    QR   TYR  23           QR       TYR  23  -3.830  -2.194   8.740
  252    H    ASN  24           HN       ASN  24  -2.499  -4.841   5.432
  253    HA   ASN  24           HA       ASN  24  -4.838  -4.749   3.547
  254   1HB   ASN  24          2HB       ASN  24  -3.143  -6.312   2.939
  255   2HB   ASN  24          3HB       ASN  24  -3.136  -7.075   4.534
  256   1HD2  ASN  24          2HD2      ASN  24  -5.152  -9.326   2.482
  257   2HD2  ASN  24          1HD2      ASN  24  -3.491  -8.954   2.931
  258    QB   ASN  24           QB       ASN  24  -3.139  -6.694   3.737
  259    QD2  ASN  24           QD2      ASN  24  -4.322  -9.140   2.707
  260    H    ALA  25           HN       ALA  25  -6.489  -4.033   4.969
  261    HA   ALA  25           HA       ALA  25  -7.033  -4.894   7.555
  262   1HB   ALA  25          3HB       ALA  25  -8.945  -4.369   5.239
  263   2HB   ALA  25          1HB       ALA  25  -9.396  -4.461   6.953
  264   3HB   ALA  25          2HB       ALA  25  -8.302  -3.172   6.392
  265    QB   ALA  25           QB       ALA  25  -8.881  -4.001   6.195
  266    H    LYS  26           HN       LYS  26  -7.039  -6.913   4.639
  267    HA   LYS  26           HA       LYS  26  -9.030  -8.753   5.771
  268   1HB   LYS  26          2HB       LYS  26  -8.487  -8.186   3.262
  269   2HB   LYS  26          3HB       LYS  26  -7.261  -9.454   3.441
  270   1HG   LYS  26          2HG       LYS  26  -9.024 -11.048   4.114
  271   2HG   LYS  26          3HG       LYS  26 -10.234  -9.743   4.069
  272   1HD   LYS  26          2HD       LYS  26  -9.665  -9.353   1.641
  273   2HD   LYS  26          3HD       LYS  26  -8.657 -10.798   1.665
  274   1HE   LYS  26          2HE       LYS  26 -11.667 -10.669   2.261
  275   2HE   LYS  26          3HE       LYS  26 -10.952 -11.148   0.717
  276   1HZ   LYS  26          3HZ       LYS  26 -10.575 -12.572   3.268
  277   2HZ   LYS  26          1HZ       LYS  26 -11.564 -13.034   2.038
  278   3HZ   LYS  26          2HZ       LYS  26  -9.936 -13.016   1.815
  279    QB   LYS  26           QB       LYS  26  -7.874  -8.820   3.351
  280    QG   LYS  26           QG       LYS  26  -9.629 -10.396   4.091
  281    QD   LYS  26           QD       LYS  26  -9.161 -10.075   1.653
  282    QE   LYS  26           QE       LYS  26 -11.310 -10.909   1.489
  283    QZ   LYS  26           QZ       LYS  26 -10.692 -12.874   2.374
  284    H    ALA  27           HN       ALA  27  -5.678  -8.181   6.163
  285    HA   ALA  27           HA       ALA  27  -5.285 -10.814   7.537
  286   1HB   ALA  27          3HB       ALA  27  -3.820 -10.503   5.576
  287   2HB   ALA  27          1HB       ALA  27  -3.219  -8.977   6.262
  288   3HB   ALA  27          2HB       ALA  27  -2.901 -10.514   7.095
  289    QB   ALA  27           QB       ALA  27  -3.313  -9.998   6.311
  290    H    GLY  28           HN       GLY  28  -5.332  -7.323   7.813
  291   1HA   GLY  28          1HA       GLY  28  -5.352  -5.986   9.659
  292   2HA   GLY  28          2HA       GLY  28  -5.113  -7.393  10.705
  293    QA   GLY  28           QA       GLY  28  -5.232  -6.690  10.182
  294    H    LEU  29           HN       LEU  29  -2.892  -6.731   7.981
  295    HA   LEU  29           HA       LEU  29  -0.843  -5.588   9.733
  296   1HB   LEU  29          2HB       LEU  29  -1.093  -8.155   9.960
  297   2HB   LEU  29          3HB       LEU  29  -0.391  -8.279   8.365
  298    HG   LEU  29           HG       LEU  29   1.033  -6.647  10.514
  299   1HD1  LEU  29          3HD1      LEU  29   0.229  -8.638  11.687
  300   2HD1  LEU  29          1HD1      LEU  29   0.943  -9.678  10.434
  301   3HD1  LEU  29          2HD1      LEU  29   1.983  -8.686  11.488
  302   1HD2  LEU  29          2HD2      LEU  29   1.802  -8.054   7.995
  303   2HD2  LEU  29          3HD2      LEU  29   2.603  -6.707   8.835
  304   3HD2  LEU  29          1HD2      LEU  29   2.888  -8.359   9.354
  305    QB   LEU  29           QB       LEU  29  -0.742  -8.217   9.163
  306    QD1  LEU  29           QD1      LEU  29   1.052  -9.001  11.203
  307    QD2  LEU  29           QD2      LEU  29   2.431  -7.707   8.728
  308    QQD  LEU  29           QQD      LEU  29   1.741  -8.354   9.965
  309    H    CYS  30           HN       CYS  30   1.263  -5.354   8.407
  310    HA   CYS  30           HA       CYS  30   0.597  -3.984   5.908
  311   1HB   CYS  30          2HB       CYS  30   3.080  -4.238   7.612
  312   2HB   CYS  30          3HB       CYS  30   2.965  -3.238   6.161
  313    QB   CYS  30           QB       CYS  30   3.022  -3.738   6.887
  314    H    GLN  31           HN       GLN  31   0.893  -4.906   3.959
  315    HA   GLN  31           HA       GLN  31   2.639  -7.311   3.628
  316   1HB   GLN  31          2HB       GLN  31  -0.293  -6.926   2.911
  317   2HB   GLN  31          3HB       GLN  31   0.722  -8.157   2.132
  318   1HG   GLN  31          2HG       GLN  31   1.269  -9.159   4.308
  319   2HG   GLN  31          3HG       GLN  31   0.211  -7.992   5.127
  320   1HE2  GLN  31          2HE2      GLN  31  -1.631 -11.235   4.515
  321   2HE2  GLN  31          1HE2      GLN  31  -0.119 -10.834   5.306
  322    QB   GLN  31           QB       GLN  31   0.215  -7.542   2.521
  323    QG   GLN  31           QG       GLN  31   0.740  -8.575   4.717
  324    QE2  GLN  31           QE2      GLN  31  -0.875 -11.035   4.911
  325    H    THR  32           HN       THR  32   3.013  -7.783   1.343
  326    HA   THR  32           HA       THR  32   3.858  -5.294   0.024
  327    HB   THR  32           HB       THR  32   5.272  -6.726  -1.325
  328    HG1  THR  32          1HG       THR  32   4.110  -8.909   0.084
  329   1HG2  THR  32          2HG2      THR  32   6.015  -6.050   0.955
  330   2HG2  THR  32          3HG2      THR  32   5.457  -7.612   1.593
  331   3HG2  THR  32          1HG2      THR  32   6.751  -7.553   0.377
  332    QG2  THR  32           QG2      THR  32   6.074  -7.072   0.975
  333    H    PHE  33           HN       PHE  33   3.555  -4.957  -2.317
  334    HA   PHE  33           HA       PHE  33   1.994  -6.798  -3.849
  335   1HB   PHE  33          2HB       PHE  33   0.101  -5.533  -4.349
  336   2HB   PHE  33          3HB       PHE  33   0.191  -5.466  -2.606
  337    HD1  PHE  33          2HD       PHE  33   1.531  -3.302  -1.645
  338    HD2  PHE  33          1HD       PHE  33  -0.372  -3.568  -5.500
  339    HE1  PHE  33          2HE       PHE  33   1.127  -0.847  -1.635
  340    HE2  PHE  33          1HE       PHE  33  -0.741  -1.136  -5.499
  341    HZ   PHE  33           HZ       PHE  33  -0.043   0.232  -3.533
  342    QB   PHE  33           QB       PHE  33   0.146  -5.499  -3.477
  343    QR   PHE  33           QR       PHE  33   0.386  -2.213  -3.570
  344    H    VAL  34           HN       VAL  34   1.772  -5.893  -6.147
  345    HA   VAL  34           HA       VAL  34   4.143  -4.266  -6.922
  346    HB   VAL  34           HB       VAL  34   2.065  -5.848  -8.502
  347   1HG1  VAL  34          1HG1      VAL  34   4.321  -4.037  -9.484
  348   2HG1  VAL  34          2HG1      VAL  34   3.442  -5.208 -10.499
  349   3HG1  VAL  34          3HG1      VAL  34   2.593  -3.835  -9.806
  350   1HG2  VAL  34          3HG2      VAL  34   3.854  -7.205  -7.425
  351   2HG2  VAL  34          1HG2      VAL  34   3.999  -7.200  -9.190
  352   3HG2  VAL  34          2HG2      VAL  34   5.078  -6.188  -8.214
  353    QG1  VAL  34           QG1      VAL  34   3.452  -4.360  -9.930
  354    QG2  VAL  34           QG2      VAL  34   4.310  -6.864  -8.276
  355    QQG  VAL  34           QQG      VAL  34   3.881  -5.612  -9.103
  356    H    TYR  35           HN       TYR  35   3.835  -2.108  -7.203
  357    HA   TYR  35           HA       TYR  35   1.104  -0.999  -7.675
  358   1HB   TYR  35          2HB       TYR  35   1.963  -0.192  -5.562
  359   2HB   TYR  35          3HB       TYR  35   3.583  -0.050  -6.215
  360    HD1  TYR  35           HD1      TYR  35   0.157   1.363  -6.816
  361    HD2  TYR  35           HD2      TYR  35   4.389   2.080  -6.622
  362    HE1  TYR  35           HE1      TYR  35  -0.207   3.801  -7.395
  363    HE2  TYR  35           HE2      TYR  35   3.983   4.494  -7.027
  364    HH   TYR  35           HH       TYR  35   2.593   5.941  -8.036
  365    QB   TYR  35           QB       TYR  35   2.773  -0.121  -5.889
  366    QR   TYR  35           QR       TYR  35   2.080   2.934  -6.965
  367    H    GLY  36           HN       GLY  36   1.053   0.641  -9.360
  368   1HA   GLY  36          1HA       GLY  36   2.629  -0.130 -11.582
  369   2HA   GLY  36          2HA       GLY  36   1.489   1.215 -11.538
  370    QA   GLY  36           QA       GLY  36   2.059   0.543 -11.560
  371    H    GLY  37           HN       GLY  37   2.301   3.159 -10.167
  372   1HA   GLY  37          1HA       GLY  37   4.924   3.734  -9.593
  373   2HA   GLY  37          2HA       GLY  37   4.831   4.047 -11.338
  374    QA   GLY  37           QA       GLY  37   4.877   3.891 -10.466
  375    H    CYS  38           HN       CYS  38   2.348   5.153 -11.651
  376    HA   CYS  38           HA       CYS  38   2.388   7.574  -9.901
  377   1HB   CYS  38          2HB       CYS  38   1.366   8.727 -11.948
  378   2HB   CYS  38          3HB       CYS  38   3.100   8.536 -11.762
  379    QB   CYS  38           QB       CYS  38   2.233   8.632 -11.855
  380    H    ARG  39           HN       ARG  39   0.450   8.725  -9.736
  381    HA   ARG  39           HA       ARG  39  -1.566   8.889  -8.805
  382   1HB   ARG  39          2HB       ARG  39  -2.398   6.710 -10.794
  383   2HB   ARG  39          3HB       ARG  39  -3.468   7.495  -9.641
  384   1HG   ARG  39          2HG       ARG  39  -3.873   8.718 -11.497
  385   2HG   ARG  39          3HG       ARG  39  -2.774   9.732 -10.570
  386   1HD   ARG  39          2HD       ARG  39  -1.591   9.950 -12.505
  387   2HD   ARG  39          3HD       ARG  39  -0.991   8.338 -12.172
  388    HE   ARG  39           HE       ARG  39  -2.074   7.535 -13.967
  389   1HH1  ARG  39          2HH2      ARG  39  -3.712  10.479 -12.959
  390   2HH1  ARG  39          1HH2      ARG  39  -4.688  10.642 -14.385
  391   1HH2  ARG  39          2HH1      ARG  39  -3.302   7.729 -15.926
  392   2HH2  ARG  39          1HH1      ARG  39  -4.455   9.012 -16.108
  393    QB   ARG  39           QB       ARG  39  -2.933   7.102 -10.217
  394    QG   ARG  39           QG       ARG  39  -3.323   9.225 -11.034
  395    QD   ARG  39           QD       ARG  39  -1.291   9.144 -12.338
  396    QH1  ARG  39           QH2      ARG  39  -4.200  10.560 -13.672
  397    QH2  ARG  39           QH1      ARG  39  -3.879   8.371 -16.017
  398    H    ALA  40           HN       ALA  40   0.193   7.857  -7.257
  399    HA   ALA  40           HA       ALA  40  -0.373   5.417  -5.954
  400   1HB   ALA  40          2HB       ALA  40   1.699   6.661  -5.628
  401   2HB   ALA  40          3HB       ALA  40   0.801   7.942  -4.795
  402   3HB   ALA  40          1HB       ALA  40   0.885   6.301  -4.106
  403    QB   ALA  40           QB       ALA  40   1.128   6.968  -4.843
  404    H    LYS  41           HN       LYS  41  -1.231   5.259  -3.703
  405    HA   LYS  41           HA       LYS  41  -3.361   7.184  -2.981
  406   1HB   LYS  41          2HB       LYS  41  -3.556   4.162  -3.246
  407   2HB   LYS  41          3HB       LYS  41  -4.387   4.892  -1.919
  408   1HG   LYS  41          2HG       LYS  41  -6.049   4.958  -3.368
  409   2HG   LYS  41          3HG       LYS  41  -5.410   6.597  -3.477
  410   1HD   LYS  41          2HD       LYS  41  -3.838   5.187  -5.345
  411   2HD   LYS  41          3HD       LYS  41  -5.381   4.339  -5.325
  412   1HE   LYS  41          2HE       LYS  41  -6.530   6.462  -5.927
  413   2HE   LYS  41          3HE       LYS  41  -5.043   7.383  -5.625
  414   1HZ   LYS  41          3HZ       LYS  41  -4.009   6.264  -7.472
  415   2HZ   LYS  41          1HZ       LYS  41  -5.378   5.422  -7.790
  416   3HZ   LYS  41          2HZ       LYS  41  -5.361   7.068  -7.953
  417    QB   LYS  41           QB       LYS  41  -3.972   4.527  -2.582
  418    QG   LYS  41           QG       LYS  41  -5.730   5.778  -3.422
  419    QD   LYS  41           QD       LYS  41  -4.609   4.763  -5.335
  420    QE   LYS  41           QE       LYS  41  -5.786   6.923  -5.776
  421    QZ   LYS  41           QZ       LYS  41  -4.916   6.251  -7.738
  422    H    ARG  42           HN       ARG  42  -3.975   6.296  -0.547
  423    HA   ARG  42           HA       ARG  42  -1.590   7.369   0.825
  424   1HB   ARG  42          2HB       ARG  42  -4.462   6.915   1.683
  425   2HB   ARG  42          3HB       ARG  42  -3.163   7.442   2.782
  426   1HG   ARG  42          2HG       ARG  42  -2.681   9.366   1.316
  427   2HG   ARG  42          3HG       ARG  42  -4.029   8.925   0.260
  428   1HD   ARG  42          2HD       ARG  42  -4.315   9.522   3.241
  429   2HD   ARG  42          3HD       ARG  42  -4.458  10.750   1.963
  430    HE   ARG  42           HE       ARG  42  -6.187   8.542   1.386
  431   1HH1  ARG  42          2HH2      ARG  42  -5.882  11.188   3.683
  432   2HH1  ARG  42          1HH2      ARG  42  -7.581  11.526   3.803
  433   1HH2  ARG  42          2HH1      ARG  42  -8.477   8.998   1.450
  434   2HH2  ARG  42          1HH1      ARG  42  -9.093  10.215   2.517
  435    QB   ARG  42           QB       ARG  42  -3.812   7.178   2.233
  436    QG   ARG  42           QG       ARG  42  -3.355   9.146   0.788
  437    QD   ARG  42           QD       ARG  42  -4.387  10.136   2.602
  438    QH1  ARG  42           QH2      ARG  42  -6.731  11.357   3.743
  439    QH2  ARG  42           QH1      ARG  42  -8.785   9.607   1.983
  440    H    ASN  43           HN       ASN  43  -3.565   4.381   0.801
  441    HA   ASN  43           HA       ASN  43  -1.919   3.047   2.772
  442   1HB   ASN  43          2HB       ASN  43  -4.338   2.636   2.179
  443   2HB   ASN  43          3HB       ASN  43  -3.792   1.907   0.658
  444   1HD2  ASN  43          2HD2      ASN  43  -4.366  -0.962   2.842
  445   2HD2  ASN  43          1HD2      ASN  43  -5.102   0.069   1.598
  446    QB   ASN  43           QB       ASN  43  -4.065   2.272   1.419
  447    QD2  ASN  43           QD2      ASN  43  -4.734  -0.447   2.220
  448    H    ASN  44           HN       ASN  44   0.018   4.000   1.257
  449    HA   ASN  44           HA       ASN  44   1.079   1.747  -0.389
  450   1HB   ASN  44          2HB       ASN  44  -0.012   3.355  -1.938
  451   2HB   ASN  44          3HB       ASN  44   1.017   4.639  -1.288
  452   1HD2  ASN  44          2HD2      ASN  44   2.523   3.063  -4.439
  453   2HD2  ASN  44          1HD2      ASN  44   0.890   3.587  -4.110
  454    QB   ASN  44           QB       ASN  44   0.503   3.997  -1.613
  455    QD2  ASN  44           QD2      ASN  44   1.707   3.325  -4.275
  456    H    PHE  45           HN       PHE  45   2.629   1.229   1.118
  457    HA   PHE  45           HA       PHE  45   4.476   3.381   2.091
  458   1HB   PHE  45          2HB       PHE  45   3.933   0.675   3.336
  459   2HB   PHE  45          3HB       PHE  45   4.771   2.040   4.060
  460    HD1  PHE  45          2HD       PHE  45   3.419   4.256   4.360
  461    HD2  PHE  45          1HD       PHE  45   1.577   0.421   3.641
  462    HE1  PHE  45          2HE       PHE  45   1.241   5.148   5.083
  463    HE2  PHE  45          1HE       PHE  45  -0.535   1.255   4.644
  464    HZ   PHE  45           HZ       PHE  45  -0.709   3.602   5.399
  465    QB   PHE  45           QB       PHE  45   4.352   1.358   3.698
  466    QR   PHE  45           QR       PHE  45   1.426   2.770   4.432
  467    H    LYS  46           HN       LYS  46   6.634   2.487   2.689
  468    HA   LYS  46           HA       LYS  46   7.756   1.027   0.358
  469   1HB   LYS  46          2HB       LYS  46   9.320   2.655   2.376
  470   2HB   LYS  46          3HB       LYS  46   9.693   2.230   0.703
  471   1HG   LYS  46          2HG       LYS  46   7.439   3.595   0.238
  472   2HG   LYS  46          3HG       LYS  46   7.763   4.279   1.827
  473   1HD   LYS  46          2HD       LYS  46   8.693   5.807   0.316
  474   2HD   LYS  46          3HD       LYS  46  10.057   4.959   1.063
  475   1HE   LYS  46          2HE       LYS  46  10.338   3.565  -0.974
  476   2HE   LYS  46          3HE       LYS  46   8.856   4.236  -1.668
  477   1HZ   LYS  46          1HZ       LYS  46   9.945   6.392  -1.712
  478   2HZ   LYS  46          2HZ       LYS  46  11.327   5.743  -1.099
  479   3HZ   LYS  46          3HZ       LYS  46  10.794   5.283  -2.581
  480    QB   LYS  46           QB       LYS  46   9.507   2.442   1.540
  481    QG   LYS  46           QG       LYS  46   7.601   3.937   1.032
  482    QD   LYS  46           QD       LYS  46   9.375   5.383   0.689
  483    QE   LYS  46           QE       LYS  46   9.597   3.900  -1.321
  484    QZ   LYS  46           QZ       LYS  46  10.689   5.806  -1.798
  485    H    SER  47           HN       SER  47   7.049   0.582   3.669
  486    HA   SER  47           HA       SER  47   8.380  -1.994   3.743
  487   1HB   SER  47          2HB       SER  47   9.843  -1.512   5.651
  488   2HB   SER  47          3HB       SER  47  10.288  -0.493   4.292
  489    HG   SER  47           HG       SER  47  10.095   0.735   6.261
  490    QB   SER  47           QB       SER  47  10.066  -1.002   4.971
  491    H    ALA  48           HN       ALA  48   7.833  -3.152   5.778
  492    HA   ALA  48           HA       ALA  48   5.152  -2.616   6.639
  493   1HB   ALA  48          3HB       ALA  48   6.053  -4.903   6.605
  494   2HB   ALA  48          1HB       ALA  48   7.173  -4.481   7.927
  495   3HB   ALA  48          2HB       ALA  48   5.422  -4.449   8.193
  496    QB   ALA  48           QB       ALA  48   6.216  -4.611   7.575
  497    H    GLU  49           HN       GLU  49   8.374  -1.831   7.993
  498    HA   GLU  49           HA       GLU  49   7.463  -0.992  10.550
  499   1HB   GLU  49          2HB       GLU  49   9.588   0.238  10.699
  500   2HB   GLU  49          3HB       GLU  49   9.793  -1.443  10.233
  501   1HG   GLU  49          2HG       GLU  49  10.125  -0.801   7.875
  502   2HG   GLU  49          3HG       GLU  49   9.889   0.915   8.305
  503    QB   GLU  49           QB       GLU  49   9.691  -0.602  10.466
  504    QG   GLU  49           QG       GLU  49  10.007   0.057   8.090
  505    H    ASP  50           HN       ASP  50   7.928   0.875   7.481
  506    HA   ASP  50           HA       ASP  50   7.160   3.359   8.682
  507   1HB   ASP  50          2HB       ASP  50   8.501   3.099   6.585
  508   2HB   ASP  50          3HB       ASP  50   7.041   2.559   5.741
  509    QB   ASP  50           QB       ASP  50   7.771   2.829   6.163
  510    H    CYS  51           HN       CYS  51   5.413   0.935   6.765
  511    HA   CYS  51           HA       CYS  51   2.818   2.038   6.735
  512   1HB   CYS  51          2HB       CYS  51   3.375   0.067   5.474
  513   2HB   CYS  51          3HB       CYS  51   3.822  -0.816   6.911
  514    QB   CYS  51           QB       CYS  51   3.598  -0.374   6.193
  515    H    MET  52           HN       MET  52   4.229  -0.128   9.243
  516    HA   MET  52           HA       MET  52   2.074   0.089  11.073
  517   1HB   MET  52          2HB       MET  52   4.966  -0.707  11.302
  518   2HB   MET  52          3HB       MET  52   4.095  -0.341  12.784
  519   1HG   MET  52          2HG       MET  52   2.911  -2.267  10.779
  520   2HG   MET  52          3HG       MET  52   4.113  -2.775  11.967
  521   1HE   MET  52          1HE       MET  52   2.464  -4.644  12.902
  522   2HE   MET  52          2HE       MET  52   0.842  -4.279  13.529
  523   3HE   MET  52          3HE       MET  52   1.168  -4.136  11.787
  524    QB   MET  52           QB       MET  52   4.531  -0.524  12.043
  525    QG   MET  52           QG       MET  52   3.512  -2.521  11.373
  526    QE   MET  52           QE       MET  52   1.491  -4.353  12.739
  527    H    ARG  53           HN       ARG  53   5.101   2.157  10.902
  528    HA   ARG  53           HA       ARG  53   4.253   3.723  13.137
  529   1HB   ARG  53          2HB       ARG  53   6.090   4.450  10.828
  530   2HB   ARG  53          3HB       ARG  53   5.628   5.559  12.133
  531   1HG   ARG  53          2HG       ARG  53   6.365   3.658  13.761
  532   2HG   ARG  53          3HG       ARG  53   7.199   2.974  12.370
  533   1HD   ARG  53          2HD       ARG  53   7.765   5.850  12.613
  534   2HD   ARG  53          3HD       ARG  53   7.989   5.058  14.185
  535    HE   ARG  53           HE       ARG  53   9.291   3.496  12.207
  536   1HH1  ARG  53          2HH2      ARG  53   9.541   6.684  13.676
  537   2HH1  ARG  53          1HH2      ARG  53  11.265   6.818  13.526
  538   1HH2  ARG  53          2HH1      ARG  53  11.609   3.609  12.003
  539   2HH2  ARG  53          1HH1      ARG  53  12.465   5.012  12.551
  540    QB   ARG  53           QB       ARG  53   5.859   5.005  11.481
  541    QG   ARG  53           QG       ARG  53   6.782   3.316  13.066
  542    QD   ARG  53           QD       ARG  53   7.877   5.454  13.399
  543    QH1  ARG  53           QH2      ARG  53  10.403   6.751  13.601
  544    QH2  ARG  53           QH1      ARG  53  12.037   4.310  12.277
  545    H    THR  54           HN       THR  54   3.332   4.018   9.700
  546    HA   THR  54           HA       THR  54   1.770   6.401  10.161
  547    HB   THR  54           HB       THR  54   1.793   4.383   7.891
  548    HG1  THR  54          1HG       THR  54   3.604   5.627   7.902
  549   1HG2  THR  54          2HG2      THR  54   0.082   6.857   8.335
  550   2HG2  THR  54          3HG2      THR  54   0.596   6.404   6.715
  551   3HG2  THR  54          1HG2      THR  54  -0.366   5.267   7.675
  552    QG2  THR  54           QG2      THR  54   0.104   6.176   7.575
  553    H    CYS  55           HN       CYS  55   0.783   2.926  10.055
  554    HA   CYS  55           HA       CYS  55  -1.985   3.765  10.948
  555   1HB   CYS  55          2HB       CYS  55  -1.884   3.413   8.565
  556   2HB   CYS  55          3HB       CYS  55  -1.117   1.836   8.784
  557    QB   CYS  55           QB       CYS  55  -1.501   2.624   8.675
  558    H    GLY  56           HN       GLY  56   0.532   2.313  12.278
  559   1HA   GLY  56          1HA       GLY  56  -0.689  -0.274  13.052
  560   2HA   GLY  56          2HA       GLY  56   0.986   0.254  13.198
  561    QA   GLY  56           QA       GLY  56   0.149  -0.010  13.125
  562    H    GLY  57           HN       GLY  57  -2.236   0.985  14.458
  563   1HA   GLY  57          1HA       GLY  57  -1.044   1.348  17.208
  564   2HA   GLY  57          2HA       GLY  57  -2.602   2.010  16.699
  565    QA   GLY  57           QA       GLY  57  -1.823   1.679  16.954
  566    H    ALA  58           HN       ALA  58  -4.210   0.491  15.995
  567    HA   ALA  58           HA       ALA  58  -5.616  -1.283  16.253
  568   1HB   ALA  58          2HB       ALA  58  -3.758  -2.903  15.723
  569   2HB   ALA  58          3HB       ALA  58  -3.387  -2.958  17.462
  570   3HB   ALA  58          1HB       ALA  58  -4.969  -3.484  16.882
  571    QB   ALA  58           QB       ALA  58  -4.038  -3.115  16.689
   
  No H/Q in entry =         571
  Start of MODEL    7
    1    H    ARG   1           HN       ARG   1  -5.884   4.765  14.857
    2    HA   ARG   1           HA       ARG   1  -4.601   4.372  12.470
    3   1HB   ARG   1          2HB       ARG   1  -5.534   2.658  13.982
    4   2HB   ARG   1          3HB       ARG   1  -7.167   2.994  13.387
    5   1HG   ARG   1          2HG       ARG   1  -5.188   2.409  11.255
    6   2HG   ARG   1          3HG       ARG   1  -5.291   1.128  12.454
    7   1HD   ARG   1          2HD       ARG   1  -7.683   0.832  12.068
    8   2HD   ARG   1          3HD       ARG   1  -7.739   2.218  10.973
    9    HE   ARG   1           HE       ARG   1  -5.868   0.797   9.755
   10   1HH1  ARG   1          2HH2      ARG   1  -9.004  -0.234  11.039
   11   2HH1  ARG   1          1HH2      ARG   1  -9.124  -1.636  10.030
   12   1HH2  ARG   1          2HH1      ARG   1  -6.038  -1.008   8.367
   13   2HH2  ARG   1          1HH1      ARG   1  -7.431  -2.031   8.420
   14    QB   ARG   1           QB       ARG   1  -6.351   2.826  13.685
   15    QG   ARG   1           QG       ARG   1  -5.240   1.769  11.855
   16    QD   ARG   1           QD       ARG   1  -7.711   1.525  11.520
   17    QH1  ARG   1           QH2      ARG   1  -9.064  -0.935  10.535
   18    QH2  ARG   1           QH1      ARG   1  -6.735  -1.520   8.394
   19    HA   PRO   2           HA       PRO   2  -7.533   6.758   9.896
   20   1HB   PRO   2          2HB       PRO   2  -6.323   6.343   7.431
   21   2HB   PRO   2          3HB       PRO   2  -5.862   7.609   8.581
   22   1HG   PRO   2          2HG       PRO   2  -4.446   5.095   7.906
   23   2HG   PRO   2          3HG       PRO   2  -3.807   6.561   8.677
   24   1HD   PRO   2          2HD       PRO   2  -4.514   4.119   9.981
   25   2HD   PRO   2          3HD       PRO   2  -4.009   5.665  10.730
   26    QB   PRO   2           QB       PRO   2  -6.093   6.976   8.006
   27    QG   PRO   2           QG       PRO   2  -4.127   5.828   8.292
   28    QD   PRO   2           QD       PRO   2  -4.262   4.892  10.356
   29    H    ASP   3           HN       ASP   3  -8.801   6.416   7.887
   30    HA   ASP   3           HA       ASP   3  -9.985   3.799   7.685
   31   1HB   ASP   3          2HB       ASP   3 -11.543   5.122   6.179
   32   2HB   ASP   3          3HB       ASP   3 -11.471   5.727   7.836
   33    QB   ASP   3           QB       ASP   3 -11.507   5.425   7.008
   34    H    PHE   4           HN       PHE   4  -8.204   6.180   5.718
   35    HA   PHE   4           HA       PHE   4  -8.231   4.806   3.342
   36   1HB   PHE   4          2HB       PHE   4  -6.326   5.831   2.587
   37   2HB   PHE   4          3HB       PHE   4  -7.071   7.005   3.655
   38    HD1  PHE   4          1HD       PHE   4  -4.251   4.539   3.309
   39    HD2  PHE   4          2HD       PHE   4  -5.805   7.881   5.508
   40    HE1  PHE   4          1HE       PHE   4  -2.258   4.491   4.762
   41    HE2  PHE   4          2HE       PHE   4  -3.664   8.033   6.756
   42    HZ   PHE   4           HZ       PHE   4  -2.024   6.182   6.582
   43    QB   PHE   4           QB       PHE   4  -6.698   6.418   3.121
   44    QR   PHE   4           QR       PHE   4  -3.994   6.236   5.084
   45    H    CYS   5           HN       CYS   5  -6.363   3.926   6.201
   46    HA   CYS   5           HA       CYS   5  -4.539   2.208   4.946
   47   1HB   CYS   5          2HB       CYS   5  -5.127   2.887   7.606
   48   2HB   CYS   5          3HB       CYS   5  -5.326   1.137   7.549
   49    QB   CYS   5           QB       CYS   5  -5.227   2.012   7.577
   50    H    LEU   6           HN       LEU   6  -7.988   1.775   5.231
   51    HA   LEU   6           HA       LEU   6  -7.773  -1.131   4.707
   52   1HB   LEU   6          2HB       LEU   6 -10.272   0.560   4.974
   53   2HB   LEU   6          3HB       LEU   6 -10.110  -1.198   5.008
   54    HG   LEU   6           HG       LEU   6  -8.391  -0.444   7.010
   55   1HD1  LEU   6          1HD1      LEU   6 -10.523   1.629   7.032
   56   2HD1  LEU   6          2HD1      LEU   6  -9.696   1.130   8.519
   57   3HD1  LEU   6          3HD1      LEU   6  -8.745   1.783   7.218
   58   1HD2  LEU   6          3HD2      LEU   6 -11.085  -1.611   7.005
   59   2HD2  LEU   6          1HD2      LEU   6  -9.635  -2.046   7.939
   60   3HD2  LEU   6          2HD2      LEU   6 -10.693  -0.771   8.507
   61    QB   LEU   6           QB       LEU   6 -10.191  -0.319   4.991
   62    QD1  LEU   6           QD1      LEU   6  -9.655   1.514   7.590
   63    QD2  LEU   6           QD2      LEU   6 -10.471  -1.476   7.817
   64    QQD  LEU   6           QQD      LEU   6 -10.063   0.019   7.703
   65    H    GLU   7           HN       GLU   7  -7.069   1.318   2.706
   66    HA   GLU   7           HA       GLU   7  -8.936   0.924   0.582
   67   1HB   GLU   7          2HB       GLU   7  -6.211   2.210   0.790
   68   2HB   GLU   7          3HB       GLU   7  -7.039   2.146  -0.756
   69   1HG   GLU   7          2HG       GLU   7  -8.406   3.262   1.656
   70   2HG   GLU   7          3HG       GLU   7  -7.267   4.262   0.759
   71    QB   GLU   7           QB       GLU   7  -6.625   2.178   0.017
   72    QG   GLU   7           QG       GLU   7  -7.837   3.762   1.208
   73    HA   PRO   8           HA       PRO   8  -7.078  -2.620  -1.310
   74   1HB   PRO   8          2HB       PRO   8  -7.858  -2.317  -3.970
   75   2HB   PRO   8          3HB       PRO   8  -8.913  -2.884  -2.648
   76   1HG   PRO   8          2HG       PRO   8  -8.816  -0.187  -3.950
   77   2HG   PRO   8          3HG       PRO   8 -10.204  -1.040  -3.217
   78   1HD   PRO   8          2HD       PRO   8  -8.662   1.005  -2.030
   79   2HD   PRO   8          3HD       PRO   8  -9.792  -0.079  -1.173
   80    QB   PRO   8           QB       PRO   8  -8.385  -2.601  -3.309
   81    QG   PRO   8           QG       PRO   8  -9.510  -0.613  -3.583
   82    QD   PRO   8           QD       PRO   8  -9.227   0.463  -1.602
   83    HA   PRO   9           HA       PRO   9  -3.304  -1.205  -3.324
   84   1HB   PRO   9          2HB       PRO   9  -2.437  -3.489  -4.556
   85   2HB   PRO   9          3HB       PRO   9  -2.331  -3.176  -2.802
   86   1HG   PRO   9          2HG       PRO   9  -4.267  -4.923  -4.266
   87   2HG   PRO   9          3HG       PRO   9  -3.552  -5.138  -2.643
   88   1HD   PRO   9          2HD       PRO   9  -6.121  -4.099  -3.214
   89   2HD   PRO   9          3HD       PRO   9  -5.254  -3.926  -1.661
   90    QB   PRO   9           QB       PRO   9  -2.384  -3.332  -3.679
   91    QG   PRO   9           QG       PRO   9  -3.910  -5.030  -3.455
   92    QD   PRO   9           QD       PRO   9  -5.688  -4.013  -2.438
   93    H    TYR  10           HN       TYR  10  -4.312   0.268  -4.630
   94    HA   TYR  10           HA       TYR  10  -5.157  -0.294  -7.394
   95   1HB   TYR  10          2HB       TYR  10  -6.219   1.558  -6.403
   96   2HB   TYR  10          3HB       TYR  10  -4.711   2.099  -5.650
   97    HD1  TYR  10           HD2      TYR  10  -3.020   3.398  -6.815
   98    HD2  TYR  10           HD1      TYR  10  -6.680   2.217  -8.775
   99    HE1  TYR  10           HE2      TYR  10  -2.424   4.755  -8.767
  100    HE2  TYR  10           HE1      TYR  10  -6.257   3.924 -10.530
  101    HH   TYR  10           HH       TYR  10  -3.090   5.567 -10.732
  102    QB   TYR  10           QB       TYR  10  -5.465   1.828  -6.027
  103    QR   TYR  10           QR       TYR  10  -4.595   3.573  -8.722
  104    H    THR  11           HN       THR  11  -3.634  -0.784  -8.910
  105    HA   THR  11           HA       THR  11  -0.839   0.105  -8.596
  106    HB   THR  11           HB       THR  11  -2.315  -1.833 -10.351
  107    HG1  THR  11          1HG       THR  11   0.196  -2.220  -9.106
  108   1HG2  THR  11          1HG2      THR  11   0.123  -0.448 -11.314
  109   2HG2  THR  11          2HG2      THR  11   0.124  -2.211 -11.381
  110   3HG2  THR  11          3HG2      THR  11  -1.150  -1.279 -12.186
  111    QG2  THR  11           QG2      THR  11  -0.301  -1.313 -11.627
  112    H    GLY  12           HN       GLY  12  -3.685   0.753 -10.524
  113   1HA   GLY  12          1HA       GLY  12  -4.275   2.653 -11.668
  114   2HA   GLY  12          2HA       GLY  12  -2.607   3.287 -11.508
  115    QA   GLY  12           QA       GLY  12  -3.441   2.970 -11.588
  116    HA   PRO  13           HA       PRO  13  -3.279   1.824 -15.871
  117   1HB   PRO  13          2HB       PRO  13  -3.004   4.234 -17.146
  118   2HB   PRO  13          3HB       PRO  13  -4.540   3.647 -16.462
  119   1HG   PRO  13          2HG       PRO  13  -2.664   5.692 -15.315
  120   2HG   PRO  13          3HG       PRO  13  -4.449   5.653 -15.276
  121   1HD   PRO  13          2HD       PRO  13  -2.726   4.829 -13.213
  122   2HD   PRO  13          3HD       PRO  13  -4.448   4.373 -13.351
  123    QB   PRO  13           QB       PRO  13  -3.772   3.940 -16.804
  124    QG   PRO  13           QG       PRO  13  -3.556   5.673 -15.295
  125    QD   PRO  13           QD       PRO  13  -3.587   4.601 -13.282
  126    H    CYS  14           HN       CYS  14  -0.811   2.890 -13.829
  127    HA   CYS  14           HA       CYS  14   1.291   3.136 -15.840
  128   1HB   CYS  14          2HB       CYS  14   1.159   3.061 -12.843
  129   2HB   CYS  14          3HB       CYS  14   2.658   2.561 -13.674
  130    QB   CYS  14           QB       CYS  14   1.908   2.811 -13.258
  131    H    LYS  15           HN       LYS  15   2.689   1.593 -16.482
  132    HA   LYS  15           HA       LYS  15   1.942  -1.249 -16.028
  133   1HB   LYS  15          2HB       LYS  15   1.943  -0.524 -18.328
  134   2HB   LYS  15          3HB       LYS  15   3.581   0.140 -18.184
  135   1HG   LYS  15          2HG       LYS  15   4.577  -1.991 -18.021
  136   2HG   LYS  15          3HG       LYS  15   3.021  -2.792 -17.675
  137   1HD   LYS  15          2HD       LYS  15   2.310  -2.501 -19.979
  138   2HD   LYS  15          3HD       LYS  15   3.636  -1.383 -20.302
  139   1HE   LYS  15          2HE       LYS  15   4.096  -3.561 -21.313
  140   2HE   LYS  15          3HE       LYS  15   5.310  -3.159 -20.100
  141   1HZ   LYS  15          2HZ       LYS  15   3.137  -4.678 -19.034
  142   2HZ   LYS  15          3HZ       LYS  15   3.918  -5.458 -20.251
  143   3HZ   LYS  15          1HZ       LYS  15   4.759  -4.951 -18.940
  144    QB   LYS  15           QB       LYS  15   2.762  -0.192 -18.256
  145    QG   LYS  15           QG       LYS  15   3.799  -2.392 -17.848
  146    QD   LYS  15           QD       LYS  15   2.973  -1.942 -20.140
  147    QE   LYS  15           QE       LYS  15   4.703  -3.360 -20.707
  148    QZ   LYS  15           QZ       LYS  15   3.938  -5.029 -19.408
  149    H    ALA  16           HN       ALA  16   4.293   1.038 -14.970
  150    HA   ALA  16           HA       ALA  16   6.547  -0.746 -14.742
  151   1HB   ALA  16          2HB       ALA  16   6.803   1.682 -14.725
  152   2HB   ALA  16          3HB       ALA  16   5.876   1.808 -13.229
  153   3HB   ALA  16          1HB       ALA  16   7.446   0.967 -13.232
  154    QB   ALA  16           QB       ALA  16   6.708   1.486 -13.729
  155    H    ARG  17           HN       ARG  17   7.384  -1.314 -12.403
  156    HA   ARG  17           HA       ARG  17   5.117  -2.574 -10.936
  157   1HB   ARG  17          2HB       ARG  17   7.655  -3.868 -11.757
  158   2HB   ARG  17          3HB       ARG  17   6.440  -4.703 -10.868
  159   1HG   ARG  17          2HG       ARG  17   5.166  -5.170 -12.691
  160   2HG   ARG  17          3HG       ARG  17   5.523  -3.668 -13.523
  161   1HD   ARG  17          2HD       ARG  17   7.593  -5.894 -13.136
  162   2HD   ARG  17          3HD       ARG  17   6.509  -5.912 -14.507
  163    HE   ARG  17           HE       ARG  17   8.893  -4.322 -14.183
  164   1HH1  ARG  17          2HH2      ARG  17   5.727  -4.298 -15.523
  165   2HH1  ARG  17          1HH2      ARG  17   5.870  -2.836 -16.361
  166   1HH2  ARG  17          2HH1      ARG  17   9.436  -2.755 -15.872
  167   2HH2  ARG  17          1HH1      ARG  17   8.221  -2.276 -17.010
  168    QB   ARG  17           QB       ARG  17   7.048  -4.285 -11.313
  169    QG   ARG  17           QG       ARG  17   5.345  -4.419 -13.107
  170    QD   ARG  17           QD       ARG  17   7.051  -5.903 -13.822
  171    QH1  ARG  17           QH2      ARG  17   5.798  -3.567 -15.942
  172    QH2  ARG  17           QH1      ARG  17   8.829  -2.515 -16.441
  173    H    ILE  18           HN       ILE  18   5.777  -0.631  -9.671
  174    HA   ILE  18           HA       ILE  18   8.372  -0.681  -8.277
  175    HB   ILE  18           HB       ILE  18   5.953   1.067  -7.784
  176   1HG1  ILE  18          2HG1      ILE  18   7.560   1.051 -10.151
  177   2HG1  ILE  18          3HG1      ILE  18   6.284   2.151  -9.656
  178   1HG2  ILE  18          1HG2      ILE  18   7.566   1.006  -5.930
  179   2HG2  ILE  18          2HG2      ILE  18   8.878   1.452  -7.034
  180   3HG2  ILE  18          3HG2      ILE  18   7.545   2.587  -6.707
  181   1HD1  ILE  18          1HD1      ILE  18   7.946   3.644  -8.628
  182   2HD1  ILE  18          2HD1      ILE  18   9.241   2.499  -9.093
  183   3HD1  ILE  18          3HD1      ILE  18   8.276   3.319 -10.332
  184    QG1  ILE  18           QG1      ILE  18   6.922   1.601  -9.904
  185    QG2  ILE  18           QG2      ILE  18   7.996   1.682  -6.557
  186    QD1  ILE  18           QD1      ILE  18   8.488   3.154  -9.351
  187    H    ILE  19           HN       ILE  19   8.617  -2.120  -6.586
  188    HA   ILE  19           HA       ILE  19   6.409  -3.399  -5.303
  189    HB   ILE  19           HB       ILE  19   9.316  -3.190  -4.454
  190   1HG1  ILE  19          2HG1      ILE  19   8.856  -4.237  -6.740
  191   2HG1  ILE  19          3HG1      ILE  19   9.735  -5.216  -5.580
  192   1HG2  ILE  19          2HG2      ILE  19   7.032  -4.939  -3.452
  193   2HG2  ILE  19          3HG2      ILE  19   8.743  -5.347  -3.195
  194   3HG2  ILE  19          1HG2      ILE  19   8.076  -3.856  -2.513
  195   1HD1  ILE  19          3HD1      ILE  19   6.728  -5.518  -5.969
  196   2HD1  ILE  19          1HD1      ILE  19   7.939  -6.402  -6.914
  197   3HD1  ILE  19          2HD1      ILE  19   7.860  -6.625  -5.160
  198    QG1  ILE  19           QG1      ILE  19   9.295  -4.726  -6.160
  199    QG2  ILE  19           QG2      ILE  19   7.950  -4.714  -3.053
  200    QD1  ILE  19           QD1      ILE  19   7.509  -6.181  -6.014
  201    H    ARG  20           HN       ARG  20   5.141  -2.703  -3.713
  202    HA   ARG  20           HA       ARG  20   5.905  -0.480  -1.901
  203   1HB   ARG  20          2HB       ARG  20   3.402  -0.725  -3.637
  204   2HB   ARG  20          3HB       ARG  20   3.561   0.436  -2.314
  205   1HG   ARG  20          2HG       ARG  20   5.260   0.364  -4.831
  206   2HG   ARG  20          3HG       ARG  20   3.963   1.493  -4.430
  207   1HD   ARG  20          2HD       ARG  20   5.411   2.084  -2.331
  208   2HD   ARG  20          3HD       ARG  20   6.696   1.207  -3.172
  209    HE   ARG  20           HE       ARG  20   5.371   3.172  -4.859
  210   1HH1  ARG  20          2HH2      ARG  20   7.900   2.694  -2.489
  211   2HH1  ARG  20          1HH2      ARG  20   8.969   3.912  -3.119
  212   1HH2  ARG  20          2HH1      ARG  20   6.620   4.957  -5.600
  213   2HH2  ARG  20          1HH1      ARG  20   8.139   5.342  -4.868
  214    QB   ARG  20           QB       ARG  20   3.482  -0.144  -2.976
  215    QG   ARG  20           QG       ARG  20   4.611   0.928  -4.630
  216    QD   ARG  20           QD       ARG  20   6.054   1.645  -2.751
  217    QH1  ARG  20           QH2      ARG  20   8.434   3.303  -2.804
  218    QH2  ARG  20           QH1      ARG  20   7.380   5.150  -5.234
  219    H    TYR  21           HN       TYR  21   3.808  -0.296  -0.352
  220    HA   TYR  21           HA       TYR  21   2.960  -3.005   0.406
  221   1HB   TYR  21          2HB       TYR  21   4.018  -1.081   2.458
  222   2HB   TYR  21          3HB       TYR  21   3.632  -2.742   2.698
  223    HD1  TYR  21           HD1      TYR  21   6.109  -0.790   0.543
  224    HD2  TYR  21           HD2      TYR  21   5.481  -4.041   3.275
  225    HE1  TYR  21           HE1      TYR  21   8.198  -1.800  -0.232
  226    HE2  TYR  21           HE2      TYR  21   7.775  -4.858   2.765
  227    HH   TYR  21           HH       TYR  21   9.838  -3.288   0.323
  228    QB   TYR  21           QB       TYR  21   3.825  -1.911   2.578
  229    QR   TYR  21           QR       TYR  21   6.891  -2.872   1.588
  230    H    PHE  22           HN       PHE  22   1.388  -2.865   2.191
  231    HA   PHE  22           HA       PHE  22  -0.223  -0.456   2.412
  232   1HB   PHE  22          2HB       PHE  22  -2.146  -1.145   1.252
  233   2HB   PHE  22          3HB       PHE  22  -0.875  -1.212   0.094
  234    HD1  PHE  22          2HD       PHE  22   0.322  -3.855   0.243
  235    HD2  PHE  22          1HD       PHE  22  -3.784  -2.732   1.014
  236    HE1  PHE  22          2HE       PHE  22  -0.393  -6.174  -0.176
  237    HE2  PHE  22          1HE       PHE  22  -4.485  -5.064   0.586
  238    HZ   PHE  22           HZ       PHE  22  -2.793  -6.784  -0.004
  239    QB   PHE  22           QB       PHE  22  -1.511  -1.178   0.673
  240    QR   PHE  22           QR       PHE  22  -2.085  -4.456   0.417
  241    H    TYR  23           HN       TYR  23  -1.935  -0.736   3.940
  242    HA   TYR  23           HA       TYR  23  -1.550  -3.006   5.811
  243   1HB   TYR  23          2HB       TYR  23  -1.871  -0.672   6.523
  244   2HB   TYR  23          3HB       TYR  23  -3.520  -0.740   5.927
  245    HD1  TYR  23           HD2      TYR  23  -4.886  -2.956   6.908
  246    HD2  TYR  23           HD1      TYR  23  -1.654  -0.830   8.809
  247    HE1  TYR  23           HE2      TYR  23  -5.623  -3.794   9.121
  248    HE2  TYR  23           HE1      TYR  23  -2.548  -1.471  11.017
  249    HH   TYR  23           HH       TYR  23  -4.067  -2.814  12.156
  250    QB   TYR  23           QB       TYR  23  -2.696  -0.706   6.225
  251    QR   TYR  23           QR       TYR  23  -3.678  -2.263   8.964
  252    H    ASN  24           HN       ASN  24  -2.467  -4.934   5.195
  253    HA   ASN  24           HA       ASN  24  -4.873  -4.896   3.449
  254   1HB   ASN  24          2HB       ASN  24  -3.148  -6.449   2.954
  255   2HB   ASN  24          3HB       ASN  24  -3.217  -7.190   4.564
  256   1HD2  ASN  24          2HD2      ASN  24  -5.070  -9.390   2.267
  257   2HD2  ASN  24          1HD2      ASN  24  -3.424  -8.912   2.699
  258    QB   ASN  24           QB       ASN  24  -3.182  -6.819   3.759
  259    QD2  ASN  24           QD2      ASN  24  -4.247  -9.151   2.483
  260    H    ALA  25           HN       ALA  25  -6.447  -4.000   4.897
  261    HA   ALA  25           HA       ALA  25  -6.985  -4.896   7.490
  262   1HB   ALA  25          2HB       ALA  25  -8.068  -2.978   6.380
  263   2HB   ALA  25          3HB       ALA  25  -8.992  -4.099   5.352
  264   3HB   ALA  25          1HB       ALA  25  -9.241  -4.106   7.111
  265    QB   ALA  25           QB       ALA  25  -8.767  -3.728   6.281
  266    H    LYS  26           HN       LYS  26  -7.076  -6.898   4.634
  267    HA   LYS  26           HA       LYS  26  -9.254  -8.574   5.702
  268   1HB   LYS  26          2HB       LYS  26  -8.688  -8.070   3.221
  269   2HB   LYS  26          3HB       LYS  26  -7.449  -9.319   3.389
  270   1HG   LYS  26          2HG       LYS  26 -10.257  -9.960   4.307
  271   2HG   LYS  26          3HG       LYS  26 -10.010  -9.755   2.582
  272   1HD   LYS  26          2HD       LYS  26  -8.158 -11.557   4.174
  273   2HD   LYS  26          3HD       LYS  26  -9.734 -12.158   3.688
  274   1HE   LYS  26          2HE       LYS  26  -7.880 -10.854   1.648
  275   2HE   LYS  26          3HE       LYS  26  -7.639 -12.541   2.114
  276   1HZ   LYS  26          1HZ       LYS  26 -10.236 -11.563   1.143
  277   2HZ   LYS  26          2HZ       LYS  26  -9.067 -12.136   0.138
  278   3HZ   LYS  26          3HZ       LYS  26  -9.714 -13.119   1.286
  279    QB   LYS  26           QB       LYS  26  -8.069  -8.695   3.305
  280    QG   LYS  26           QG       LYS  26 -10.133  -9.857   3.445
  281    QD   LYS  26           QD       LYS  26  -8.946 -11.857   3.931
  282    QE   LYS  26           QE       LYS  26  -7.759 -11.698   1.881
  283    QZ   LYS  26           QZ       LYS  26  -9.672 -12.273   0.856
  284    H    ALA  27           HN       ALA  27  -5.794  -8.276   5.944
  285    HA   ALA  27           HA       ALA  27  -5.550 -10.914   7.353
  286   1HB   ALA  27          2HB       ALA  27  -3.510  -9.152   5.951
  287   2HB   ALA  27          3HB       ALA  27  -3.097 -10.540   6.982
  288   3HB   ALA  27          1HB       ALA  27  -4.041 -10.792   5.496
  289    QB   ALA  27           QB       ALA  27  -3.549 -10.161   6.143
  290    H    GLY  28           HN       GLY  28  -5.545  -7.448   7.730
  291   1HA   GLY  28          1HA       GLY  28  -5.433  -6.159   9.617
  292   2HA   GLY  28          2HA       GLY  28  -5.275  -7.610  10.615
  293    QA   GLY  28           QA       GLY  28  -5.354  -6.884  10.116
  294    H    LEU  29           HN       LEU  29  -3.077  -6.949   7.868
  295    HA   LEU  29           HA       LEU  29  -0.941  -5.964   9.585
  296   1HB   LEU  29          2HB       LEU  29  -1.297  -8.754   9.182
  297   2HB   LEU  29          3HB       LEU  29  -0.024  -8.323   8.054
  298    HG   LEU  29           HG       LEU  29   0.063  -7.472  10.988
  299   1HD1  LEU  29          1HD1      LEU  29   1.053 -10.088   9.799
  300   2HD1  LEU  29          2HD1      LEU  29   1.397  -9.491  11.440
  301   3HD1  LEU  29          3HD1      LEU  29  -0.266  -9.887  10.979
  302   1HD2  LEU  29          3HD2      LEU  29   2.203  -7.932   8.849
  303   2HD2  LEU  29          1HD2      LEU  29   1.765  -6.390   9.609
  304   3HD2  LEU  29          2HD2      LEU  29   2.547  -7.632  10.566
  305    QB   LEU  29           QB       LEU  29  -0.660  -8.539   8.618
  306    QD1  LEU  29           QD1      LEU  29   0.728  -9.822  10.739
  307    QD2  LEU  29           QD2      LEU  29   2.172  -7.318   9.675
  308    QQD  LEU  29           QQD      LEU  29   1.450  -8.570  10.207
  309    H    CYS  30           HN       CYS  30   1.048  -5.588   8.173
  310    HA   CYS  30           HA       CYS  30   0.186  -4.246   5.717
  311   1HB   CYS  30          2HB       CYS  30   2.741  -4.200   7.340
  312   2HB   CYS  30          3HB       CYS  30   2.433  -3.221   5.905
  313    QB   CYS  30           QB       CYS  30   2.587  -3.710   6.622
  314    H    GLN  31           HN       GLN  31   0.650  -5.087   3.739
  315    HA   GLN  31           HA       GLN  31   2.698  -7.275   3.511
  316   1HB   GLN  31          2HB       GLN  31  -0.152  -7.139   2.516
  317   2HB   GLN  31          3HB       GLN  31   1.041  -8.074   1.613
  318   1HG   GLN  31          2HG       GLN  31   1.235  -9.722   3.138
  319   2HG   GLN  31          3HG       GLN  31   1.141  -8.627   4.522
  320   1HE2  GLN  31          2HE2      GLN  31  -1.844 -10.527   5.039
  321   2HE2  GLN  31          1HE2      GLN  31  -0.117 -10.566   5.336
  322    QB   GLN  31           QB       GLN  31   0.445  -7.607   2.064
  323    QG   GLN  31           QG       GLN  31   1.188  -9.174   3.830
  324    QE2  GLN  31           QE2      GLN  31  -0.980 -10.546   5.187
  325    H    THR  32           HN       THR  32   3.302  -7.578   1.185
  326    HA   THR  32           HA       THR  32   4.034  -4.943   0.102
  327    HB   THR  32           HB       THR  32   5.856  -6.058  -0.938
  328    HG1  THR  32          1HG       THR  32   6.050  -8.368  -0.701
  329   1HG2  THR  32          2HG2      THR  32   5.623  -5.948   1.792
  330   2HG2  THR  32          3HG2      THR  32   5.866  -7.673   1.604
  331   3HG2  THR  32          1HG2      THR  32   7.082  -6.546   0.971
  332    QG2  THR  32           QG2      THR  32   6.190  -6.722   1.456
  333    H    PHE  33           HN       PHE  33   3.840  -4.649  -2.300
  334    HA   PHE  33           HA       PHE  33   2.446  -6.614  -3.865
  335   1HB   PHE  33          2HB       PHE  33   0.411  -5.557  -4.276
  336   2HB   PHE  33          3HB       PHE  33   0.558  -5.431  -2.542
  337    HD1  PHE  33          2HD       PHE  33   1.594  -3.164  -1.624
  338    HD2  PHE  33          1HD       PHE  33  -0.012  -3.638  -5.597
  339    HE1  PHE  33          2HE       PHE  33   1.139  -0.719  -1.742
  340    HE2  PHE  33          1HE       PHE  33  -0.416  -1.211  -5.728
  341    HZ   PHE  33           HZ       PHE  33   0.143   0.258  -3.796
  342    QB   PHE  33           QB       PHE  33   0.485  -5.494  -3.409
  343    QR   PHE  33           QR       PHE  33   0.576  -2.183  -3.673
  344    H    VAL  34           HN       VAL  34   2.104  -5.667  -6.158
  345    HA   VAL  34           HA       VAL  34   4.410  -3.893  -6.838
  346    HB   VAL  34           HB       VAL  34   2.671  -5.740  -8.516
  347   1HG1  VAL  34          1HG1      VAL  34   4.957  -3.869  -9.231
  348   2HG1  VAL  34          2HG1      VAL  34   4.292  -5.076 -10.357
  349   3HG1  VAL  34          3HG1      VAL  34   3.309  -3.707  -9.852
  350   1HG2  VAL  34          2HG2      VAL  34   4.659  -6.608  -6.951
  351   2HG2  VAL  34          3HG2      VAL  34   4.535  -7.160  -8.632
  352   3HG2  VAL  34          1HG2      VAL  34   5.680  -5.873  -8.199
  353    QG1  VAL  34           QG1      VAL  34   4.186  -4.217  -9.813
  354    QG2  VAL  34           QG2      VAL  34   4.958  -6.547  -7.927
  355    QQG  VAL  34           QQG      VAL  34   4.572  -5.382  -8.870
  356    H    TYR  35           HN       TYR  35   3.924  -1.819  -6.993
  357    HA   TYR  35           HA       TYR  35   1.203  -0.858  -7.755
  358   1HB   TYR  35          2HB       TYR  35   2.118  -0.001  -5.629
  359   2HB   TYR  35          3HB       TYR  35   3.663   0.297  -6.411
  360    HD1  TYR  35           HD1      TYR  35   0.103   1.421  -6.533
  361    HD2  TYR  35           HD2      TYR  35   4.242   2.434  -7.090
  362    HE1  TYR  35           HE1      TYR  35  -0.543   3.706  -7.358
  363    HE2  TYR  35           HE2      TYR  35   3.594   4.792  -7.497
  364    HH   TYR  35           HH       TYR  35   1.911   6.197  -8.027
  365    QB   TYR  35           QB       TYR  35   2.890   0.148  -6.020
  366    QR   TYR  35           QR       TYR  35   1.849   3.088  -7.120
  367    H    GLY  36           HN       GLY  36   0.990   0.354  -9.509
  368   1HA   GLY  36          1HA       GLY  36   2.527   0.129 -11.788
  369   2HA   GLY  36          2HA       GLY  36   1.359   1.396 -11.496
  370    QA   GLY  36           QA       GLY  36   1.943   0.763 -11.642
  371    H    GLY  37           HN       GLY  37   2.034   3.408 -10.556
  372   1HA   GLY  37          1HA       GLY  37   4.408   4.330  -9.616
  373   2HA   GLY  37          2HA       GLY  37   4.802   4.117 -11.318
  374    QA   GLY  37           QA       GLY  37   4.605   4.224 -10.467
  375    H    CYS  38           HN       CYS  38   1.586   5.259 -10.104
  376    HA   CYS  38           HA       CYS  38   2.012   7.988 -10.591
  377   1HB   CYS  38          2HB       CYS  38   0.615   8.225 -12.642
  378   2HB   CYS  38          3HB       CYS  38   2.245   7.647 -12.929
  379    QB   CYS  38           QB       CYS  38   1.430   7.936 -12.785
  380    H    ARG  39           HN       ARG  39   0.325   9.086  -9.769
  381    HA   ARG  39           HA       ARG  39  -1.559   9.525  -8.599
  382   1HB   ARG  39          2HB       ARG  39  -2.672   7.467 -10.534
  383   2HB   ARG  39          3HB       ARG  39  -3.697   8.277  -9.367
  384   1HG   ARG  39          2HG       ARG  39  -1.956   9.729 -11.407
  385   2HG   ARG  39          3HG       ARG  39  -3.637   9.244 -11.662
  386   1HD   ARG  39          2HD       ARG  39  -3.870  10.516  -9.234
  387   2HD   ARG  39          3HD       ARG  39  -2.570  11.465  -9.933
  388    HE   ARG  39           HE       ARG  39  -5.383  11.413 -10.607
  389   1HH1  ARG  39          2HH2      ARG  39  -2.225  11.917 -12.055
  390   2HH1  ARG  39          1HH2      ARG  39  -2.790  12.860 -13.401
  391   1HH2  ARG  39          2HH1      ARG  39  -6.211  12.605 -12.399
  392   2HH2  ARG  39          1HH1      ARG  39  -5.140  13.247 -13.599
  393    QB   ARG  39           QB       ARG  39  -3.184   7.872  -9.951
  394    QG   ARG  39           QG       ARG  39  -2.797   9.487 -11.534
  395    QD   ARG  39           QD       ARG  39  -3.220  10.991  -9.583
  396    QH1  ARG  39           QH2      ARG  39  -2.507  12.388 -12.728
  397    QH2  ARG  39           QH1      ARG  39  -5.676  12.926 -12.999
  398    H    ALA  40           HN       ALA  40   0.221   8.086  -7.199
  399    HA   ALA  40           HA       ALA  40  -0.678   5.670  -6.136
  400   1HB   ALA  40          3HB       ALA  40   1.591   7.033  -5.800
  401   2HB   ALA  40          1HB       ALA  40   0.783   7.519  -4.292
  402   3HB   ALA  40          2HB       ALA  40   1.042   5.800  -4.653
  403    QB   ALA  40           QB       ALA  40   1.138   6.784  -4.915
  404    H    LYS  41           HN       LYS  41  -1.905   5.099  -4.325
  405    HA   LYS  41           HA       LYS  41  -3.913   7.060  -3.393
  406   1HB   LYS  41          2HB       LYS  41  -3.507   4.100  -2.811
  407   2HB   LYS  41          3HB       LYS  41  -4.897   5.055  -2.277
  408   1HG   LYS  41          2HG       LYS  41  -4.175   4.581  -5.192
  409   2HG   LYS  41          3HG       LYS  41  -5.318   3.644  -4.223
  410   1HD   LYS  41          2HD       LYS  41  -6.190   6.280  -3.837
  411   2HD   LYS  41          3HD       LYS  41  -5.653   6.268  -5.531
  412   1HE   LYS  41          2HE       LYS  41  -7.049   4.230  -5.920
  413   2HE   LYS  41          3HE       LYS  41  -7.538   4.244  -4.208
  414   1HZ   LYS  41          2HZ       LYS  41  -8.197   6.349  -6.157
  415   2HZ   LYS  41          3HZ       LYS  41  -9.215   5.180  -5.605
  416   3HZ   LYS  41          1HZ       LYS  41  -8.642   6.308  -4.564
  417    QB   LYS  41           QB       LYS  41  -4.202   4.578  -2.544
  418    QG   LYS  41           QG       LYS  41  -4.746   4.113  -4.708
  419    QD   LYS  41           QD       LYS  41  -5.922   6.274  -4.684
  420    QE   LYS  41           QE       LYS  41  -7.293   4.237  -5.064
  421    QZ   LYS  41           QZ       LYS  41  -8.685   5.946  -5.442
  422    H    ARG  42           HN       ARG  42  -4.399   6.536  -0.884
  423    HA   ARG  42           HA       ARG  42  -2.060   7.742   0.462
  424   1HB   ARG  42          2HB       ARG  42  -4.840   7.025   1.442
  425   2HB   ARG  42          3HB       ARG  42  -3.557   7.676   2.475
  426   1HG   ARG  42          2HG       ARG  42  -3.488   9.610   0.621
  427   2HG   ARG  42          3HG       ARG  42  -5.117   9.024   0.275
  428   1HD   ARG  42          2HD       ARG  42  -5.552  10.643   1.906
  429   2HD   ARG  42          3HD       ARG  42  -5.452   9.168   2.882
  430    HE   ARG  42           HE       ARG  42  -2.953  10.701   2.458
  431   1HH1  ARG  42          2HH2      ARG  42  -5.665  10.193   4.674
  432   2HH1  ARG  42          1HH2      ARG  42  -4.893  10.952   6.029
  433   1HH2  ARG  42          2HH1      ARG  42  -1.957  11.795   4.199
  434   2HH2  ARG  42          1HH1      ARG  42  -2.743  11.908   5.736
  435    QB   ARG  42           QB       ARG  42  -4.198   7.350   1.959
  436    QG   ARG  42           QG       ARG  42  -4.303   9.317   0.448
  437    QD   ARG  42           QD       ARG  42  -5.502   9.906   2.394
  438    QH1  ARG  42           QH2      ARG  42  -5.279  10.573   5.351
  439    QH2  ARG  42           QH1      ARG  42  -2.350  11.852   4.968
  440    H    ASN  43           HN       ASN  43  -3.775   4.624   0.409
  441    HA   ASN  43           HA       ASN  43  -2.127   3.478   2.534
  442   1HB   ASN  43          2HB       ASN  43  -4.448   2.825   2.136
  443   2HB   ASN  43          3HB       ASN  43  -4.079   2.206   0.568
  444   1HD2  ASN  43          2HD2      ASN  43  -4.175  -0.722   2.859
  445   2HD2  ASN  43          1HD2      ASN  43  -4.977   0.168   1.587
  446    QB   ASN  43           QB       ASN  43  -4.263   2.516   1.352
  447    QD2  ASN  43           QD2      ASN  43  -4.576  -0.277   2.223
  448    H    ASN  44           HN       ASN  44  -0.123   4.201   1.420
  449    HA   ASN  44           HA       ASN  44   0.985   1.946  -0.129
  450   1HB   ASN  44          2HB       ASN  44   0.071   3.345  -1.858
  451   2HB   ASN  44          3HB       ASN  44   0.920   4.767  -1.229
  452   1HD2  ASN  44          2HD2      ASN  44   2.790   3.047  -4.106
  453   2HD2  ASN  44          1HD2      ASN  44   1.096   3.423  -3.934
  454    QB   ASN  44           QB       ASN  44   0.495   4.056  -1.543
  455    QD2  ASN  44           QD2      ASN  44   1.943   3.235  -4.020
  456    H    PHE  45           HN       PHE  45   2.655   1.441   1.212
  457    HA   PHE  45           HA       PHE  45   4.391   3.655   2.251
  458   1HB   PHE  45          2HB       PHE  45   4.155   0.869   3.400
  459   2HB   PHE  45          3HB       PHE  45   4.866   2.292   4.126
  460    HD1  PHE  45          2HD       PHE  45   3.408   4.238   4.796
  461    HD2  PHE  45          1HD       PHE  45   1.725   0.510   3.442
  462    HE1  PHE  45          2HE       PHE  45   1.241   4.854   5.774
  463    HE2  PHE  45          1HE       PHE  45  -0.416   1.075   4.555
  464    HZ   PHE  45           HZ       PHE  45  -0.621   3.208   5.844
  465    QB   PHE  45           QB       PHE  45   4.510   1.580   3.763
  466    QR   PHE  45           QR       PHE  45   1.489   2.669   4.642
  467    H    LYS  46           HN       LYS  46   6.686   2.740   2.735
  468    HA   LYS  46           HA       LYS  46   7.688   1.434   0.260
  469   1HB   LYS  46          2HB       LYS  46   9.353   2.939   2.300
  470   2HB   LYS  46          3HB       LYS  46   9.671   2.568   0.604
  471   1HG   LYS  46          2HG       LYS  46   7.400   4.025   0.329
  472   2HG   LYS  46          3HG       LYS  46   8.008   4.725   1.846
  473   1HD   LYS  46          2HD       LYS  46  10.250   5.069   0.697
  474   2HD   LYS  46          3HD       LYS  46   9.506   4.577  -0.821
  475   1HE   LYS  46          2HE       LYS  46   8.877   7.028   0.894
  476   2HE   LYS  46          3HE       LYS  46   9.566   6.992  -0.733
  477   1HZ   LYS  46          3HZ       LYS  46   7.216   5.748  -1.072
  478   2HZ   LYS  46          1HZ       LYS  46   6.829   6.830   0.101
  479   3HZ   LYS  46          2HZ       LYS  46   7.462   7.358  -1.319
  480    QB   LYS  46           QB       LYS  46   9.512   2.754   1.452
  481    QG   LYS  46           QG       LYS  46   7.704   4.375   1.087
  482    QD   LYS  46           QD       LYS  46   9.878   4.823  -0.062
  483    QE   LYS  46           QE       LYS  46   9.221   7.010   0.080
  484    QZ   LYS  46           QZ       LYS  46   7.169   6.645  -0.763
  485    H    SER  47           HN       SER  47   7.064   0.835   3.590
  486    HA   SER  47           HA       SER  47   8.047  -1.824   3.338
  487   1HB   SER  47          2HB       SER  47   9.590  -1.866   5.215
  488   2HB   SER  47          3HB       SER  47  10.183  -0.780   3.955
  489    HG   SER  47           HG       SER  47  10.325   0.361   5.848
  490    QB   SER  47           QB       SER  47   9.886  -1.323   4.585
  491    H    ALA  48           HN       ALA  48   7.413  -3.123   5.260
  492    HA   ALA  48           HA       ALA  48   4.911  -2.391   6.379
  493   1HB   ALA  48          3HB       ALA  48   6.912  -4.496   7.274
  494   2HB   ALA  48          1HB       ALA  48   5.269  -4.316   7.915
  495   3HB   ALA  48          2HB       ALA  48   5.500  -4.730   6.209
  496    QB   ALA  48           QB       ALA  48   5.893  -4.514   7.133
  497    H    GLU  49           HN       GLU  49   8.235  -1.766   7.402
  498    HA   GLU  49           HA       GLU  49   7.813  -1.081  10.105
  499   1HB   GLU  49          2HB       GLU  49  10.020  -1.349   9.090
  500   2HB   GLU  49          3HB       GLU  49   9.786   0.078   8.076
  501   1HG   GLU  49          2HG       GLU  49   9.909   1.562   9.898
  502   2HG   GLU  49          3HG       GLU  49   9.632   0.274  11.089
  503    QB   GLU  49           QB       GLU  49   9.903  -0.635   8.583
  504    QG   GLU  49           QG       GLU  49   9.771   0.918  10.494
  505    H    ASP  50           HN       ASP  50   7.796   1.055   7.193
  506    HA   ASP  50           HA       ASP  50   6.834   3.336   8.644
  507   1HB   ASP  50          2HB       ASP  50   7.255   2.642   5.767
  508   2HB   ASP  50          3HB       ASP  50   5.933   3.779   6.065
  509    QB   ASP  50           QB       ASP  50   6.594   3.210   5.916
  510    H    CYS  51           HN       CYS  51   5.117   0.939   6.616
  511    HA   CYS  51           HA       CYS  51   2.508   1.893   6.841
  512   1HB   CYS  51          2HB       CYS  51   3.182  -0.071   5.490
  513   2HB   CYS  51          3HB       CYS  51   3.447  -0.971   6.982
  514    QB   CYS  51           QB       CYS  51   3.315  -0.521   6.236
  515    H    MET  52           HN       MET  52   4.130  -0.261   9.186
  516    HA   MET  52           HA       MET  52   1.977  -0.355  11.058
  517   1HB   MET  52          2HB       MET  52   4.964  -0.878  11.176
  518   2HB   MET  52          3HB       MET  52   3.987  -0.926  12.644
  519   1HG   MET  52          2HG       MET  52   3.179  -2.532  10.202
  520   2HG   MET  52          3HG       MET  52   4.333  -3.131  11.401
  521   1HE   MET  52          3HE       MET  52   2.801  -5.094  11.327
  522   2HE   MET  52          1HE       MET  52   1.510  -5.310  12.538
  523   3HE   MET  52          2HE       MET  52   1.108  -4.646  10.933
  524    QB   MET  52           QB       MET  52   4.475  -0.902  11.910
  525    QG   MET  52           QG       MET  52   3.756  -2.831  10.801
  526    QE   MET  52           QE       MET  52   1.806  -5.017  11.599
  527    H    ARG  53           HN       ARG  53   4.984   1.657  10.955
  528    HA   ARG  53           HA       ARG  53   4.399   2.963  13.363
  529   1HB   ARG  53          2HB       ARG  53   6.523   2.904  11.654
  530   2HB   ARG  53          3HB       ARG  53   5.932   4.517  11.293
  531   1HG   ARG  53          2HG       ARG  53   6.215   3.716  14.213
  532   2HG   ARG  53          3HG       ARG  53   7.698   3.797  13.282
  533   1HD   ARG  53          2HD       ARG  53   5.703   6.087  13.380
  534   2HD   ARG  53          3HD       ARG  53   7.072   5.872  14.501
  535    HE   ARG  53           HE       ARG  53   7.795   5.712  11.668
  536   1HH1  ARG  53          2HH2      ARG  53   7.304   7.948  14.335
  537   2HH1  ARG  53          1HH2      ARG  53   8.521   9.085  13.840
  538   1HH2  ARG  53          2HH1      ARG  53   9.376   7.208  10.921
  539   2HH2  ARG  53          1HH1      ARG  53   9.718   8.654  11.815
  540    QB   ARG  53           QB       ARG  53   6.227   3.711  11.473
  541    QG   ARG  53           QG       ARG  53   6.956   3.757  13.747
  542    QD   ARG  53           QD       ARG  53   6.388   5.980  13.941
  543    QH1  ARG  53           QH2      ARG  53   7.913   8.517  14.087
  544    QH2  ARG  53           QH1      ARG  53   9.547   7.931  11.368
  545    H    THR  54           HN       THR  54   3.349   3.742  10.094
  546    HA   THR  54           HA       THR  54   1.933   6.171  10.735
  547    HB   THR  54           HB       THR  54   1.938   4.198   8.433
  548    HG1  THR  54          1HG       THR  54   2.682   6.912   8.763
  549   1HG2  THR  54          3HG2      THR  54  -0.119   6.329   8.935
  550   2HG2  THR  54          1HG2      THR  54   0.558   6.197   7.312
  551   3HG2  THR  54          2HG2      THR  54  -0.210   4.790   8.047
  552    QG2  THR  54           QG2      THR  54   0.076   5.772   8.098
  553    H    CYS  55           HN       CYS  55   0.694   2.807  10.143
  554    HA   CYS  55           HA       CYS  55  -1.929   3.687  11.307
  555   1HB   CYS  55          2HB       CYS  55  -1.159   1.366   9.519
  556   2HB   CYS  55          3HB       CYS  55  -2.757   1.568  10.257
  557    QB   CYS  55           QB       CYS  55  -1.958   1.467   9.888
  558    H    GLY  56           HN       GLY  56  -0.011   0.677  11.215
  559   1HA   GLY  56          1HA       GLY  56   0.629  -0.775  12.847
  560   2HA   GLY  56          2HA       GLY  56   0.360   0.514  14.019
  561    QA   GLY  56           QA       GLY  56   0.494  -0.130  13.433
  562    H    GLY  57           HN       GLY  57  -1.977   0.908  14.614
  563   1HA   GLY  57          1HA       GLY  57  -3.973  -1.080  14.363
  564   2HA   GLY  57          2HA       GLY  57  -3.042  -1.390  15.850
  565    QA   GLY  57           QA       GLY  57  -3.507  -1.235  15.106
  566    H    ALA  58           HN       ALA  58  -5.425  -0.825  16.601
  567    HA   ALA  58           HA       ALA  58  -5.420   1.511  18.097
  568   1HB   ALA  58          2HB       ALA  58  -7.100   1.542  15.545
  569   2HB   ALA  58          3HB       ALA  58  -7.536   2.475  16.992
  570   3HB   ALA  58          1HB       ALA  58  -6.011   2.820  16.166
  571    QB   ALA  58           QB       ALA  58  -6.882   2.279  16.234
   
  No H/Q in entry =         571
  Start of MODEL    8
    1    H    ARG   1           HN       ARG   1  -7.304   3.722  15.198
    2    HA   ARG   1           HA       ARG   1  -5.975   4.556  13.196
    3   1HB   ARG   1          2HB       ARG   1  -6.485   2.588  11.807
    4   2HB   ARG   1          3HB       ARG   1  -6.289   2.149  13.498
    5   1HG   ARG   1          2HG       ARG   1  -8.603   1.701  13.773
    6   2HG   ARG   1          3HG       ARG   1  -9.078   2.654  12.367
    7   1HD   ARG   1          2HD       ARG   1  -9.293   0.315  11.792
    8   2HD   ARG   1          3HD       ARG   1  -8.087   1.115  10.812
    9    HE   ARG   1           HE       ARG   1  -6.458  -0.272  11.612
   10   1HH1  ARG   1          2HH2      ARG   1  -9.203  -0.431  13.810
   11   2HH1  ARG   1          1HH2      ARG   1  -8.576  -1.735  14.772
   12   1HH2  ARG   1          2HH1      ARG   1  -5.672  -2.125  12.731
   13   2HH2  ARG   1          1HH1      ARG   1  -6.468  -2.672  14.181
   14    QB   ARG   1           QB       ARG   1  -6.387   2.369  12.653
   15    QG   ARG   1           QG       ARG   1  -8.841   2.177  13.070
   16    QD   ARG   1           QD       ARG   1  -8.690   0.715  11.302
   17    QH1  ARG   1           QH2      ARG   1  -8.889  -1.083  14.291
   18    QH2  ARG   1           QH1      ARG   1  -6.070  -2.399  13.456
   19    HA   PRO   2           HA       PRO   2  -8.836   6.645  10.350
   20   1HB   PRO   2          2HB       PRO   2  -7.386   6.709   8.029
   21   2HB   PRO   2          3HB       PRO   2  -7.002   7.720   9.433
   22   1HG   PRO   2          2HG       PRO   2  -5.578   5.266   8.471
   23   2HG   PRO   2          3HG       PRO   2  -4.934   6.665   9.359
   24   1HD   PRO   2          2HD       PRO   2  -5.637   4.173  10.484
   25   2HD   PRO   2          3HD       PRO   2  -5.276   5.687  11.359
   26    QB   PRO   2           QB       PRO   2  -7.194   7.214   8.731
   27    QG   PRO   2           QG       PRO   2  -5.256   5.966   8.915
   28    QD   PRO   2           QD       PRO   2  -5.456   4.930  10.921
   29    H    ASP   3           HN       ASP   3 -10.149   6.244   8.403
   30    HA   ASP   3           HA       ASP   3 -10.800   3.508   7.898
   31   1HB   ASP   3          2HB       ASP   3 -11.525   6.095   6.445
   32   2HB   ASP   3          3HB       ASP   3 -12.271   4.518   6.150
   33    QB   ASP   3           QB       ASP   3 -11.898   5.307   6.298
   34    H    PHE   4           HN       PHE   4  -8.548   5.783   6.334
   35    HA   PHE   4           HA       PHE   4  -8.578   4.363   3.843
   36   1HB   PHE   4          2HB       PHE   4  -6.774   5.627   3.131
   37   2HB   PHE   4          3HB       PHE   4  -7.769   6.706   4.092
   38    HD1  PHE   4          1HD       PHE   4  -4.637   4.636   4.057
   39    HD2  PHE   4          2HD       PHE   4  -6.728   7.911   5.927
   40    HE1  PHE   4          1HE       PHE   4  -2.856   4.800   5.760
   41    HE2  PHE   4          2HE       PHE   4  -4.802   8.250   7.450
   42    HZ   PHE   4           HZ       PHE   4  -3.035   6.514   7.567
   43    QB   PHE   4           QB       PHE   4  -7.272   6.166   3.612
   44    QR   PHE   4           QR       PHE   4  -4.756   6.400   5.798
   45    H    CYS   5           HN       CYS   5  -7.255   3.541   6.899
   46    HA   CYS   5           HA       CYS   5  -5.026   1.952   6.216
   47   1HB   CYS   5          2HB       CYS   5  -6.525   2.464   8.529
   48   2HB   CYS   5          3HB       CYS   5  -6.759   0.740   8.264
   49    QB   CYS   5           QB       CYS   5  -6.642   1.602   8.396
   50    H    LEU   6           HN       LEU   6  -8.492   1.504   5.584
   51    HA   LEU   6           HA       LEU   6  -8.038  -1.325   4.834
   52   1HB   LEU   6          2HB       LEU   6 -10.675   0.122   4.747
   53   2HB   LEU   6          3HB       LEU   6 -10.314  -1.593   4.819
   54    HG   LEU   6           HG       LEU   6  -9.150  -0.687   7.193
   55   1HD1  LEU   6          1HD1      LEU   6 -11.441   1.158   6.572
   56   2HD1  LEU   6          2HD1      LEU   6 -11.149   0.655   8.241
   57   3HD1  LEU   6          3HD1      LEU   6  -9.865   1.438   7.375
   58   1HD2  LEU   6          3HD2      LEU   6 -11.478  -2.288   6.493
   59   2HD2  LEU   6          1HD2      LEU   6 -10.322  -2.409   7.838
   60   3HD2  LEU   6          2HD2      LEU   6 -11.737  -1.385   7.986
   61    QB   LEU   6           QB       LEU   6 -10.495  -0.736   4.783
   62    QD1  LEU   6           QD1      LEU   6 -10.818   1.084   7.396
   63    QD2  LEU   6           QD2      LEU   6 -11.179  -2.027   7.439
   64    QQD  LEU   6           QQD      LEU   6 -10.999  -0.472   7.418
   65    H    GLU   7           HN       GLU   7  -7.259   1.378   3.206
   66    HA   GLU   7           HA       GLU   7  -8.655   1.201   0.772
   67   1HB   GLU   7          2HB       GLU   7  -5.960   2.194   1.596
   68   2HB   GLU   7          3HB       GLU   7  -6.226   1.950  -0.129
   69   1HG   GLU   7          2HG       GLU   7  -8.224   3.384   0.001
   70   2HG   GLU   7          3HG       GLU   7  -7.798   3.805   1.674
   71    QB   GLU   7           QB       GLU   7  -6.093   2.072   0.734
   72    QG   GLU   7           QG       GLU   7  -8.011   3.595   0.837
   73    HA   PRO   8           HA       PRO   8  -6.998  -2.762  -0.621
   74   1HB   PRO   8          2HB       PRO   8  -7.967  -2.780  -3.206
   75   2HB   PRO   8          3HB       PRO   8  -9.003  -3.033  -1.772
   76   1HG   PRO   8          2HG       PRO   8  -8.551  -0.482  -3.339
   77   2HG   PRO   8          3HG       PRO   8 -10.105  -1.172  -2.784
   78   1HD   PRO   8          2HD       PRO   8  -8.766   0.814  -1.446
   79   2HD   PRO   8          3HD       PRO   8  -9.745  -0.416  -0.582
   80    QB   PRO   8           QB       PRO   8  -8.485  -2.907  -2.489
   81    QG   PRO   8           QG       PRO   8  -9.328  -0.827  -3.061
   82    QD   PRO   8           QD       PRO   8  -9.255   0.199  -1.014
   83    HA   PRO   9           HA       PRO   9  -3.353  -1.580  -2.901
   84   1HB   PRO   9          2HB       PRO   9  -2.589  -3.867  -4.153
   85   2HB   PRO   9          3HB       PRO   9  -2.510  -3.611  -2.380
   86   1HG   PRO   9          2HG       PRO   9  -4.626  -5.081  -3.975
   87   2HG   PRO   9          3HG       PRO   9  -3.832  -5.592  -2.458
   88   1HD   PRO   9          2HD       PRO   9  -6.307  -4.370  -2.559
   89   2HD   PRO   9          3HD       PRO   9  -5.202  -4.183  -1.176
   90    QB   PRO   9           QB       PRO   9  -2.549  -3.739  -3.267
   91    QG   PRO   9           QG       PRO   9  -4.229  -5.337  -3.217
   92    QD   PRO   9           QD       PRO   9  -5.755  -4.277  -1.867
   93    H    TYR  10           HN       TYR  10  -4.149  -0.047  -4.251
   94    HA   TYR  10           HA       TYR  10  -5.159  -0.649  -6.952
   95   1HB   TYR  10          2HB       TYR  10  -5.978   1.317  -5.895
   96   2HB   TYR  10          3HB       TYR  10  -4.342   1.819  -5.446
   97    HD1  TYR  10           HD1      TYR  10  -6.649   1.444  -8.364
   98    HD2  TYR  10           HD2      TYR  10  -2.936   3.085  -6.908
   99    HE1  TYR  10           HE1      TYR  10  -6.506   2.923 -10.355
  100    HE2  TYR  10           HE2      TYR  10  -2.728   4.440  -8.950
  101    HH   TYR  10           HH       TYR  10  -3.719   5.094 -10.886
  102    QB   TYR  10           QB       TYR  10  -5.160   1.568  -5.670
  103    QR   TYR  10           QR       TYR  10  -4.705   2.973  -8.644
  104    H    THR  11           HN       THR  11  -3.656  -1.637  -8.253
  105    HA   THR  11           HA       THR  11  -0.851  -0.815  -8.331
  106    HB   THR  11           HB       THR  11  -2.562  -2.699  -9.977
  107    HG1  THR  11          1HG       THR  11  -1.267  -3.178  -7.979
  108   1HG2  THR  11          1HG2      THR  11   0.142  -1.570 -10.803
  109   2HG2  THR  11          2HG2      THR  11  -0.335  -3.230 -11.191
  110   3HG2  THR  11          3HG2      THR  11  -1.300  -1.906 -11.794
  111    QG2  THR  11           QG2      THR  11  -0.498  -2.235 -11.263
  112    H    GLY  12           HN       GLY  12  -3.820  -0.110 -10.128
  113   1HA   GLY  12          1HA       GLY  12  -4.353   1.569 -11.572
  114   2HA   GLY  12          2HA       GLY  12  -2.827   2.403 -11.162
  115    QA   GLY  12           QA       GLY  12  -3.590   1.986 -11.367
  116    HA   PRO  13           HA       PRO  13  -2.418   0.525 -15.398
  117   1HB   PRO  13          2HB       PRO  13  -2.624   2.736 -16.996
  118   2HB   PRO  13          3HB       PRO  13  -4.022   1.810 -16.392
  119   1HG   PRO  13          2HG       PRO  13  -3.006   4.463 -15.400
  120   2HG   PRO  13          3HG       PRO  13  -4.675   3.861 -15.514
  121   1HD   PRO  13          2HD       PRO  13  -3.054   3.859 -13.185
  122   2HD   PRO  13          3HD       PRO  13  -4.560   2.935 -13.416
  123    QB   PRO  13           QB       PRO  13  -3.323   2.273 -16.694
  124    QG   PRO  13           QG       PRO  13  -3.840   4.162 -15.457
  125    QD   PRO  13           QD       PRO  13  -3.807   3.397 -13.301
  126    H    CYS  14           HN       CYS  14  -1.164   3.854 -15.006
  127    HA   CYS  14           HA       CYS  14   0.849   4.782 -15.614
  128   1HB   CYS  14          2HB       CYS  14   1.772   2.534 -13.800
  129   2HB   CYS  14          3HB       CYS  14   2.523   4.124 -13.989
  130    QB   CYS  14           QB       CYS  14   2.147   3.329 -13.894
  131    H    LYS  15           HN       LYS  15   3.489   3.353 -15.611
  132    HA   LYS  15           HA       LYS  15   3.271   1.127 -17.399
  133   1HB   LYS  15          2HB       LYS  15   4.224   3.775 -18.489
  134   2HB   LYS  15          3HB       LYS  15   5.024   2.299 -19.042
  135   1HG   LYS  15          2HG       LYS  15   2.417   1.542 -19.334
  136   2HG   LYS  15          3HG       LYS  15   2.275   3.248 -19.695
  137   1HD   LYS  15          2HD       LYS  15   4.364   1.392 -20.987
  138   2HD   LYS  15          3HD       LYS  15   2.722   1.540 -21.588
  139   1HE   LYS  15          2HE       LYS  15   4.160   3.000 -22.893
  140   2HE   LYS  15          3HE       LYS  15   2.971   3.936 -21.976
  141   1HZ   LYS  15          2HZ       LYS  15   4.747   4.288 -20.318
  142   2HZ   LYS  15          3HZ       LYS  15   5.831   3.614 -21.354
  143   3HZ   LYS  15          1HZ       LYS  15   5.038   4.997 -21.770
  144    QB   LYS  15           QB       LYS  15   4.624   3.037 -18.765
  145    QG   LYS  15           QG       LYS  15   2.346   2.395 -19.514
  146    QD   LYS  15           QD       LYS  15   3.543   1.466 -21.287
  147    QE   LYS  15           QE       LYS  15   3.565   3.468 -22.435
  148    QZ   LYS  15           QZ       LYS  15   5.205   4.300 -21.147
  149    H    ALA  16           HN       ALA  16   4.076   0.771 -14.981
  150    HA   ALA  16           HA       ALA  16   6.782  -0.108 -15.269
  151   1HB   ALA  16          2HB       ALA  16   6.248   2.208 -13.352
  152   2HB   ALA  16          3HB       ALA  16   7.702   1.194 -13.321
  153   3HB   ALA  16          1HB       ALA  16   7.361   2.207 -14.728
  154    QB   ALA  16           QB       ALA  16   7.103   1.870 -13.801
  155    H    ARG  17           HN       ARG  17   7.459  -0.959 -12.850
  156    HA   ARG  17           HA       ARG  17   5.101  -1.844 -11.355
  157   1HB   ARG  17          2HB       ARG  17   7.269  -3.886 -11.711
  158   2HB   ARG  17          3HB       ARG  17   5.571  -4.029 -11.417
  159   1HG   ARG  17          2HG       ARG  17   5.769  -4.929 -13.473
  160   2HG   ARG  17          3HG       ARG  17   5.149  -3.316 -13.828
  161   1HD   ARG  17          2HD       ARG  17   7.049  -2.824 -15.082
  162   2HD   ARG  17          3HD       ARG  17   8.093  -3.290 -13.750
  163    HE   ARG  17           HE       ARG  17   8.580  -5.209 -14.823
  164   1HH1  ARG  17          2HH2      ARG  17   5.398  -4.164 -15.823
  165   2HH1  ARG  17          1HH2      ARG  17   5.068  -5.495 -16.890
  166   1HH2  ARG  17          2HH1      ARG  17   8.222  -7.049 -16.208
  167   2HH2  ARG  17          1HH1      ARG  17   6.766  -7.172 -17.138
  168    QB   ARG  17           QB       ARG  17   6.420  -3.958 -11.564
  169    QG   ARG  17           QG       ARG  17   5.459  -4.123 -13.650
  170    QD   ARG  17           QD       ARG  17   7.571  -3.057 -14.416
  171    QH1  ARG  17           QH2      ARG  17   5.233  -4.829 -16.356
  172    QH2  ARG  17           QH1      ARG  17   7.494  -7.111 -16.673
  173    H    ILE  18           HN       ILE  18   5.542  -1.308  -9.253
  174    HA   ILE  18           HA       ILE  18   8.382  -1.273  -8.292
  175    HB   ILE  18           HB       ILE  18   6.169   0.775  -7.789
  176   1HG1  ILE  18          2HG1      ILE  18   8.829   1.167  -9.194
  177   2HG1  ILE  18          3HG1      ILE  18   7.329   0.875 -10.081
  178   1HG2  ILE  18          3HG2      ILE  18   9.032   0.465  -6.769
  179   2HG2  ILE  18          1HG2      ILE  18   8.117   1.963  -6.632
  180   3HG2  ILE  18          2HG2      ILE  18   7.541   0.511  -5.803
  181   1HD1  ILE  18          1HD1      ILE  18   7.300   3.190  -8.168
  182   2HD1  ILE  18          2HD1      ILE  18   8.105   3.325  -9.743
  183   3HD1  ILE  18          3HD1      ILE  18   6.399   2.866  -9.650
  184    QG1  ILE  18           QG1      ILE  18   8.079   1.021  -9.637
  185    QG2  ILE  18           QG2      ILE  18   8.230   0.980  -6.401
  186    QD1  ILE  18           QD1      ILE  18   7.268   3.127  -9.187
  187    H    ILE  19           HN       ILE  19   8.582  -2.629  -6.514
  188    HA   ILE  19           HA       ILE  19   6.218  -3.790  -5.327
  189    HB   ILE  19           HB       ILE  19   9.120  -3.851  -4.472
  190   1HG1  ILE  19          2HG1      ILE  19   8.454  -4.895  -6.747
  191   2HG1  ILE  19          3HG1      ILE  19   9.348  -5.887  -5.604
  192   1HG2  ILE  19          2HG2      ILE  19   6.711  -5.421  -3.446
  193   2HG2  ILE  19          3HG2      ILE  19   8.403  -5.877  -3.144
  194   3HG2  ILE  19          1HG2      ILE  19   7.772  -4.347  -2.521
  195   1HD1  ILE  19          1HD1      ILE  19   6.314  -6.030  -5.849
  196   2HD1  ILE  19          2HD1      ILE  19   7.437  -7.039  -6.779
  197   3HD1  ILE  19          3HD1      ILE  19   7.405  -7.160  -5.016
  198    QG1  ILE  19           QG1      ILE  19   8.901  -5.391  -6.175
  199    QG2  ILE  19           QG2      ILE  19   7.629  -5.215  -3.037
  200    QD1  ILE  19           QD1      ILE  19   7.052  -6.743  -5.881
  201    H    ARG  20           HN       ARG  20   4.945  -2.874  -3.829
  202    HA   ARG  20           HA       ARG  20   5.970  -0.840  -1.923
  203   1HB   ARG  20          2HB       ARG  20   3.433  -0.728  -3.633
  204   2HB   ARG  20          3HB       ARG  20   3.746   0.354  -2.272
  205   1HG   ARG  20          2HG       ARG  20   5.353   0.198  -4.846
  206   2HG   ARG  20          3HG       ARG  20   4.207   1.461  -4.370
  207   1HD   ARG  20          2HD       ARG  20   5.679   1.897  -2.337
  208   2HD   ARG  20          3HD       ARG  20   6.828   0.748  -3.047
  209    HE   ARG  20           HE       ARG  20   5.947   3.049  -4.683
  210   1HH1  ARG  20          2HH2      ARG  20   8.573   1.481  -2.884
  211   2HH1  ARG  20          1HH2      ARG  20   9.822   2.483  -3.532
  212   1HH2  ARG  20          2HH1      ARG  20   7.605   4.387  -5.558
  213   2HH2  ARG  20          1HH1      ARG  20   9.252   4.192  -5.069
  214    QB   ARG  20           QB       ARG  20   3.589  -0.187  -2.952
  215    QG   ARG  20           QG       ARG  20   4.780   0.829  -4.608
  216    QD   ARG  20           QD       ARG  20   6.254   1.322  -2.692
  217    QH1  ARG  20           QH2      ARG  20   9.197   1.982  -3.208
  218    QH2  ARG  20           QH1      ARG  20   8.428   4.290  -5.313
  219    H    TYR  21           HN       TYR  21   4.116  -0.492  -0.259
  220    HA   TYR  21           HA       TYR  21   2.892  -3.116   0.342
  221   1HB   TYR  21          2HB       TYR  21   4.074  -1.381   2.488
  222   2HB   TYR  21          3HB       TYR  21   3.534  -3.012   2.628
  223    HD1  TYR  21           HD1      TYR  21   6.207  -1.271   0.505
  224    HD2  TYR  21           HD2      TYR  21   5.269  -4.394   3.312
  225    HE1  TYR  21           HE1      TYR  21   8.351  -2.316   0.016
  226    HE2  TYR  21           HE2      TYR  21   7.574  -5.273   3.039
  227    HH   TYR  21           HH       TYR  21   9.951  -3.698   0.917
  228    QB   TYR  21           QB       TYR  21   3.804  -2.197   2.558
  229    QR   TYR  21           QR       TYR  21   6.850  -3.313   1.718
  230    H    PHE  22           HN       PHE  22   1.291  -2.892   2.145
  231    HA   PHE  22           HA       PHE  22  -0.109  -0.346   2.400
  232   1HB   PHE  22          2HB       PHE  22  -2.164  -0.976   1.339
  233   2HB   PHE  22          3HB       PHE  22  -0.946  -1.072   0.142
  234    HD1  PHE  22          2HD       PHE  22   0.128  -3.691   0.060
  235    HD2  PHE  22          1HD       PHE  22  -3.812  -2.573   1.426
  236    HE1  PHE  22          2HE       PHE  22  -0.655  -6.007  -0.303
  237    HE2  PHE  22          1HE       PHE  22  -4.577  -4.893   1.087
  238    HZ   PHE  22           HZ       PHE  22  -3.007  -6.620   0.217
  239    QB   PHE  22           QB       PHE  22  -1.555  -1.024   0.740
  240    QR   PHE  22           QR       PHE  22  -2.229  -4.291   0.567
  241    H    TYR  23           HN       TYR  23  -1.588  -0.445   4.162
  242    HA   TYR  23           HA       TYR  23  -1.505  -2.760   5.945
  243   1HB   TYR  23          2HB       TYR  23  -1.907  -0.369   6.613
  244   2HB   TYR  23          3HB       TYR  23  -3.480  -0.462   5.855
  245    HD1  TYR  23           HD2      TYR  23  -5.147  -2.300   6.775
  246    HD2  TYR  23           HD1      TYR  23  -1.567  -1.048   8.834
  247    HE1  TYR  23           HE2      TYR  23  -6.146  -2.976   8.927
  248    HE2  TYR  23           HE1      TYR  23  -2.566  -1.755  10.978
  249    HH   TYR  23           HH       TYR  23  -5.272  -3.709  11.223
  250    QB   TYR  23           QB       TYR  23  -2.693  -0.416   6.234
  251    QR   TYR  23           QR       TYR  23  -3.857  -2.020   8.879
  252    H    ASN  24           HN       ASN  24  -2.553  -4.669   5.438
  253    HA   ASN  24           HA       ASN  24  -4.880  -4.594   3.554
  254   1HB   ASN  24          2HB       ASN  24  -3.169  -6.179   3.039
  255   2HB   ASN  24          3HB       ASN  24  -3.255  -6.942   4.632
  256   1HD2  ASN  24          2HD2      ASN  24  -5.196  -9.070   2.306
  257   2HD2  ASN  24          1HD2      ASN  24  -3.521  -8.720   2.679
  258    QB   ASN  24           QB       ASN  24  -3.212  -6.560   3.836
  259    QD2  ASN  24           QD2      ASN  24  -4.358  -8.895   2.492
  260    H    ALA  25           HN       ALA  25  -6.507  -3.779   4.951
  261    HA   ALA  25           HA       ALA  25  -7.176  -4.654   7.509
  262   1HB   ALA  25          2HB       ALA  25  -8.866  -3.851   5.112
  263   2HB   ALA  25          3HB       ALA  25  -9.529  -4.138   6.731
  264   3HB   ALA  25          1HB       ALA  25  -8.326  -2.846   6.485
  265    QB   ALA  25           QB       ALA  25  -8.907  -3.612   6.109
  266    H    LYS  26           HN       LYS  26  -7.140  -6.676   4.609
  267    HA   LYS  26           HA       LYS  26  -9.368  -8.320   5.611
  268   1HB   LYS  26          2HB       LYS  26  -8.344  -7.968   3.091
  269   2HB   LYS  26          3HB       LYS  26  -7.526  -9.456   3.579
  270   1HG   LYS  26          2HG       LYS  26 -10.196  -9.918   4.335
  271   2HG   LYS  26          3HG       LYS  26 -10.362  -8.838   2.948
  272   1HD   LYS  26          2HD       LYS  26  -8.520 -10.651   1.974
  273   2HD   LYS  26          3HD       LYS  26  -9.340 -11.652   3.169
  274   1HE   LYS  26          2HE       LYS  26 -11.419 -10.320   1.671
  275   2HE   LYS  26          3HE       LYS  26 -10.177 -10.748   0.494
  276   1HZ   LYS  26          3HZ       LYS  26 -10.331 -13.032   1.348
  277   2HZ   LYS  26          1HZ       LYS  26 -11.575 -12.574   2.329
  278   3HZ   LYS  26          2HZ       LYS  26 -11.738 -12.488   0.696
  279    QB   LYS  26           QB       LYS  26  -7.935  -8.712   3.335
  280    QG   LYS  26           QG       LYS  26 -10.279  -9.378   3.642
  281    QD   LYS  26           QD       LYS  26  -8.930 -11.152   2.571
  282    QE   LYS  26           QE       LYS  26 -10.798 -10.534   1.082
  283    QZ   LYS  26           QZ       LYS  26 -11.215 -12.698   1.457
  284    H    ALA  27           HN       ALA  27  -5.960  -8.033   6.078
  285    HA   ALA  27           HA       ALA  27  -5.758 -10.673   7.488
  286   1HB   ALA  27          1HB       ALA  27  -3.914  -9.076   5.746
  287   2HB   ALA  27          2HB       ALA  27  -3.200  -9.949   7.115
  288   3HB   ALA  27          3HB       ALA  27  -4.131 -10.834   5.892
  289    QB   ALA  27           QB       ALA  27  -3.749  -9.953   6.251
  290    H    GLY  28           HN       GLY  28  -5.468  -7.179   7.762
  291   1HA   GLY  28          1HA       GLY  28  -5.455  -5.893   9.661
  292   2HA   GLY  28          2HA       GLY  28  -5.215  -7.325  10.671
  293    QA   GLY  28           QA       GLY  28  -5.335  -6.609  10.166
  294    H    LEU  29           HN       LEU  29  -3.003  -6.973   7.949
  295    HA   LEU  29           HA       LEU  29  -0.928  -5.725   9.639
  296   1HB   LEU  29          2HB       LEU  29  -1.101  -8.301   9.833
  297   2HB   LEU  29          3HB       LEU  29  -0.437  -8.376   8.213
  298    HG   LEU  29           HG       LEU  29   1.048  -6.709  10.266
  299   1HD1  LEU  29          3HD1      LEU  29   0.318  -8.643  11.585
  300   2HD1  LEU  29          1HD1      LEU  29   0.980  -9.743  10.351
  301   3HD1  LEU  29          2HD1      LEU  29   2.062  -8.687  11.291
  302   1HD2  LEU  29          3HD2      LEU  29   1.873  -8.677   8.075
  303   2HD2  LEU  29          1HD2      LEU  29   2.226  -6.943   8.161
  304   3HD2  LEU  29          2HD2      LEU  29   3.013  -8.040   9.271
  305    QB   LEU  29           QB       LEU  29  -0.769  -8.339   9.023
  306    QD1  LEU  29           QD1      LEU  29   1.120  -9.024  11.076
  307    QD2  LEU  29           QD2      LEU  29   2.370  -7.887   8.502
  308    QQD  LEU  29           QQD      LEU  29   1.745  -8.455   9.789
  309    H    CYS  30           HN       CYS  30   1.088  -5.329   8.292
  310    HA   CYS  30           HA       CYS  30   0.271  -4.017   5.808
  311   1HB   CYS  30          2HB       CYS  30   2.851  -4.098   7.370
  312   2HB   CYS  30          3HB       CYS  30   2.591  -3.137   5.908
  313    QB   CYS  30           QB       CYS  30   2.721  -3.617   6.639
  314    H    GLN  31           HN       GLN  31   0.516  -4.872   3.816
  315    HA   GLN  31           HA       GLN  31   2.302  -7.254   3.438
  316   1HB   GLN  31          2HB       GLN  31  -0.600  -6.804   2.805
  317   2HB   GLN  31          3HB       GLN  31   0.341  -7.742   1.652
  318   1HG   GLN  31          2HG       GLN  31   0.970  -9.377   3.271
  319   2HG   GLN  31          3HG       GLN  31   0.368  -8.384   4.619
  320   1HE2  GLN  31          2HE2      GLN  31  -2.532 -10.415   4.465
  321   2HE2  GLN  31          1HE2      GLN  31  -1.098  -9.994   5.378
  322    QB   GLN  31           QB       GLN  31  -0.130  -7.273   2.229
  323    QG   GLN  31           QG       GLN  31   0.669  -8.880   3.945
  324    QE2  GLN  31           QE2      GLN  31  -1.815 -10.205   4.922
  325    H    THR  32           HN       THR  32   2.697  -7.655   1.186
  326    HA   THR  32           HA       THR  32   3.737  -5.158  -0.052
  327    HB   THR  32           HB       THR  32   5.429  -6.471  -0.994
  328    HG1  THR  32          1HG       THR  32   3.855  -8.739  -0.303
  329   1HG2  THR  32          3HG2      THR  32   5.438  -6.232   1.584
  330   2HG2  THR  32          1HG2      THR  32   4.995  -7.939   1.643
  331   3HG2  THR  32          2HG2      THR  32   6.519  -7.450   0.879
  332    QG2  THR  32           QG2      THR  32   5.650  -7.207   1.369
  333    H    PHE  33           HN       PHE  33   3.561  -4.848  -2.386
  334    HA   PHE  33           HA       PHE  33   2.081  -6.711  -3.990
  335   1HB   PHE  33          2HB       PHE  33   0.162  -5.471  -4.480
  336   2HB   PHE  33          3HB       PHE  33   0.232  -5.458  -2.734
  337    HD1  PHE  33          2HD       PHE  33   1.568  -3.277  -1.725
  338    HD2  PHE  33          1HD       PHE  33  -0.417  -3.494  -5.539
  339    HE1  PHE  33          2HE       PHE  33   1.315  -0.801  -1.750
  340    HE2  PHE  33          1HE       PHE  33  -0.520  -1.032  -5.629
  341    HZ   PHE  33           HZ       PHE  33   0.317   0.326  -3.720
  342    QB   PHE  33           QB       PHE  33   0.197  -5.465  -3.607
  343    QR   PHE  33           QR       PHE  33   0.487  -2.151  -3.661
  344    H    VAL  34           HN       VAL  34   1.997  -5.872  -6.289
  345    HA   VAL  34           HA       VAL  34   4.337  -4.163  -6.924
  346    HB   VAL  34           HB       VAL  34   2.388  -5.824  -8.575
  347   1HG1  VAL  34          1HG1      VAL  34   4.523  -3.869  -9.510
  348   2HG1  VAL  34          2HG1      VAL  34   3.811  -5.138 -10.544
  349   3HG1  VAL  34          3HG1      VAL  34   2.799  -3.836  -9.925
  350   1HG2  VAL  34          1HG2      VAL  34   4.235  -7.046  -7.434
  351   2HG2  VAL  34          2HG2      VAL  34   4.455  -7.039  -9.192
  352   3HG2  VAL  34          3HG2      VAL  34   5.414  -5.944  -8.178
  353    QG1  VAL  34           QG1      VAL  34   3.711  -4.281  -9.993
  354    QG2  VAL  34           QG2      VAL  34   4.701  -6.676  -8.268
  355    QQG  VAL  34           QQG      VAL  34   4.206  -5.479  -9.131
  356    H    TYR  35           HN       TYR  35   4.085  -2.029  -7.512
  357    HA   TYR  35           HA       TYR  35   1.323  -0.928  -7.824
  358   1HB   TYR  35          2HB       TYR  35   2.365  -0.244  -5.765
  359   2HB   TYR  35          3HB       TYR  35   3.877   0.105  -6.596
  360    HD1  TYR  35           HD1      TYR  35   0.269   1.166  -6.814
  361    HD2  TYR  35           HD2      TYR  35   4.419   2.275  -7.008
  362    HE1  TYR  35           HE1      TYR  35  -0.372   3.530  -7.311
  363    HE2  TYR  35           HE2      TYR  35   3.743   4.677  -7.285
  364    HH   TYR  35           HH       TYR  35   0.459   5.471  -8.240
  365    QB   TYR  35           QB       TYR  35   3.121  -0.069  -6.180
  366    QR   TYR  35           QR       TYR  35   2.015   2.912  -7.104
  367    H    GLY  36           HN       GLY  36   0.993   0.557  -9.508
  368   1HA   GLY  36          1HA       GLY  36   2.270   0.225 -11.988
  369   2HA   GLY  36          2HA       GLY  36   1.216   1.551 -11.547
  370    QA   GLY  36           QA       GLY  36   1.743   0.888 -11.768
  371    H    GLY  37           HN       GLY  37   2.236   3.267 -10.128
  372   1HA   GLY  37          1HA       GLY  37   4.520   4.227  -9.488
  373   2HA   GLY  37          2HA       GLY  37   4.974   3.953 -11.168
  374    QA   GLY  37           QA       GLY  37   4.747   4.090 -10.328
  375    H    CYS  38           HN       CYS  38   1.886   5.251  -9.838
  376    HA   CYS  38           HA       CYS  38   2.181   7.932 -10.428
  377   1HB   CYS  38          2HB       CYS  38   1.179   8.272 -12.537
  378   2HB   CYS  38          3HB       CYS  38   2.386   7.045 -12.870
  379    QB   CYS  38           QB       CYS  38   1.782   7.658 -12.703
  380    H    ARG  39           HN       ARG  39   0.087   8.999  -9.985
  381    HA   ARG  39           HA       ARG  39  -1.872   9.175  -8.822
  382   1HB   ARG  39          2HB       ARG  39  -2.467   6.793 -10.623
  383   2HB   ARG  39          3HB       ARG  39  -3.713   7.539  -9.634
  384   1HG   ARG  39          2HG       ARG  39  -2.040   9.271 -11.463
  385   2HG   ARG  39          3HG       ARG  39  -3.345   8.293 -12.132
  386   1HD   ARG  39          2HD       ARG  39  -3.814  10.106  -9.727
  387   2HD   ARG  39          3HD       ARG  39  -3.883  10.755 -11.349
  388    HE   ARG  39           HE       ARG  39  -5.815   9.026 -10.013
  389   1HH1  ARG  39          2HH2      ARG  39  -4.622  10.040 -13.163
  390   2HH1  ARG  39          1HH2      ARG  39  -6.094   9.718 -14.025
  391   1HH2  ARG  39          2HH1      ARG  39  -7.797   8.529 -11.126
  392   2HH2  ARG  39          1HH1      ARG  39  -7.930   8.810 -12.829
  393    QB   ARG  39           QB       ARG  39  -3.090   7.166 -10.129
  394    QG   ARG  39           QG       ARG  39  -2.692   8.782 -11.797
  395    QD   ARG  39           QD       ARG  39  -3.848  10.430 -10.538
  396    QH1  ARG  39           QH2      ARG  39  -5.358   9.879 -13.594
  397    QH2  ARG  39           QH1      ARG  39  -7.864   8.670 -11.978
  398    H    ALA  40           HN       ALA  40   0.128   7.955  -7.295
  399    HA   ALA  40           HA       ALA  40  -0.603   5.510  -6.131
  400   1HB   ALA  40          1HB       ALA  40   1.602   6.906  -5.926
  401   2HB   ALA  40          2HB       ALA  40   0.807   7.611  -4.510
  402   3HB   ALA  40          3HB       ALA  40   1.074   5.857  -4.603
  403    QB   ALA  40           QB       ALA  40   1.161   6.792  -5.013
  404    H    LYS  41           HN       LYS  41  -1.748   4.964  -4.229
  405    HA   LYS  41           HA       LYS  41  -3.847   6.857  -3.362
  406   1HB   LYS  41          2HB       LYS  41  -3.280   3.968  -2.574
  407   2HB   LYS  41          3HB       LYS  41  -4.713   4.900  -2.144
  408   1HG   LYS  41          2HG       LYS  41  -3.949   4.183  -4.997
  409   2HG   LYS  41          3HG       LYS  41  -5.078   3.310  -3.948
  410   1HD   LYS  41          2HD       LYS  41  -5.979   5.969  -3.813
  411   2HD   LYS  41          3HD       LYS  41  -5.487   5.771  -5.509
  412   1HE   LYS  41          2HE       LYS  41  -6.904   3.630  -5.545
  413   2HE   LYS  41          3HE       LYS  41  -7.366   3.996  -3.867
  414   1HZ   LYS  41          1HZ       LYS  41  -8.172   6.176  -4.852
  415   2HZ   LYS  41          2HZ       LYS  41  -8.142   5.394  -6.307
  416   3HZ   LYS  41          3HZ       LYS  41  -9.076   4.825  -5.079
  417    QB   LYS  41           QB       LYS  41  -3.996   4.434  -2.359
  418    QG   LYS  41           QG       LYS  41  -4.514   3.747  -4.472
  419    QD   LYS  41           QD       LYS  41  -5.733   5.870  -4.661
  420    QE   LYS  41           QE       LYS  41  -7.135   3.813  -4.706
  421    QZ   LYS  41           QZ       LYS  41  -8.464   5.465  -5.413
  422    H    ARG  42           HN       ARG  42  -4.246   6.475  -0.786
  423    HA   ARG  42           HA       ARG  42  -1.909   7.785   0.439
  424   1HB   ARG  42          2HB       ARG  42  -4.785   7.254   1.207
  425   2HB   ARG  42          3HB       ARG  42  -3.611   7.468   2.493
  426   1HG   ARG  42          2HG       ARG  42  -3.085   9.561   0.595
  427   2HG   ARG  42          3HG       ARG  42  -4.831   9.474   0.729
  428   1HD   ARG  42          2HD       ARG  42  -3.084   9.497   3.224
  429   2HD   ARG  42          3HD       ARG  42  -3.355  10.987   2.374
  430    HE   ARG  42           HE       ARG  42  -5.302   9.378   3.900
  431   1HH1  ARG  42          2HH2      ARG  42  -4.874  12.068   1.648
  432   2HH1  ARG  42          1HH2      ARG  42  -6.355  12.872   2.057
  433   1HH2  ARG  42          2HH1      ARG  42  -7.340  10.388   4.406
  434   2HH2  ARG  42          1HH1      ARG  42  -7.804  11.862   3.626
  435    QB   ARG  42           QB       ARG  42  -4.198   7.361   1.850
  436    QG   ARG  42           QG       ARG  42  -3.958   9.517   0.662
  437    QD   ARG  42           QD       ARG  42  -3.220  10.242   2.799
  438    QH1  ARG  42           QH2      ARG  42  -5.614  12.470   1.852
  439    QH2  ARG  42           QH1      ARG  42  -7.572  11.125   4.016
  440    H    ASN  43           HN       ASN  43  -3.707   4.723   0.873
  441    HA   ASN  43           HA       ASN  43  -1.778   3.618   2.693
  442   1HB   ASN  43          2HB       ASN  43  -4.155   3.024   2.497
  443   2HB   ASN  43          3HB       ASN  43  -3.878   2.274   0.921
  444   1HD2  ASN  43          2HD2      ASN  43  -3.911  -0.602   3.214
  445   2HD2  ASN  43          1HD2      ASN  43  -4.844   0.340   2.086
  446    QB   ASN  43           QB       ASN  43  -4.016   2.649   1.709
  447    QD2  ASN  43           QD2      ASN  43  -4.378  -0.131   2.650
  448    H    ASN  44           HN       ASN  44   0.117   4.358   1.237
  449    HA   ASN  44           HA       ASN  44   1.095   1.987  -0.282
  450   1HB   ASN  44          2HB       ASN  44   0.215   3.498  -1.960
  451   2HB   ASN  44          3HB       ASN  44   1.172   4.840  -1.319
  452   1HD2  ASN  44          2HD2      ASN  44   2.845   3.121  -4.319
  453   2HD2  ASN  44          1HD2      ASN  44   1.176   3.563  -4.065
  454    QB   ASN  44           QB       ASN  44   0.693   4.169  -1.640
  455    QD2  ASN  44           QD2      ASN  44   2.011   3.342  -4.192
  456    H    PHE  45           HN       PHE  45   2.742   1.363   1.048
  457    HA   PHE  45           HA       PHE  45   4.711   3.429   1.968
  458   1HB   PHE  45          2HB       PHE  45   4.149   0.753   3.246
  459   2HB   PHE  45          3HB       PHE  45   5.042   2.106   3.922
  460    HD1  PHE  45          2HD       PHE  45   3.780   4.301   4.405
  461    HD2  PHE  45          1HD       PHE  45   1.777   0.580   3.529
  462    HE1  PHE  45          2HE       PHE  45   1.696   5.186   5.357
  463    HE2  PHE  45          1HE       PHE  45  -0.214   1.377   4.770
  464    HZ   PHE  45           HZ       PHE  45  -0.287   3.676   5.669
  465    QB   PHE  45           QB       PHE  45   4.595   1.429   3.584
  466    QR   PHE  45           QR       PHE  45   1.760   2.861   4.515
  467    H    LYS  46           HN       LYS  46   6.866   2.334   2.535
  468    HA   LYS  46           HA       LYS  46   7.780   0.717   0.214
  469   1HB   LYS  46          2HB       LYS  46   9.508   2.470   1.987
  470   2HB   LYS  46          3HB       LYS  46   9.780   1.861   0.348
  471   1HG   LYS  46          2HG       LYS  46   7.563   3.203  -0.156
  472   2HG   LYS  46          3HG       LYS  46   8.011   4.107   1.308
  473   1HD   LYS  46          2HD       LYS  46  10.305   4.483   0.302
  474   2HD   LYS  46          3HD       LYS  46   9.720   3.804  -1.215
  475   1HE   LYS  46          2HE       LYS  46   8.722   6.307   0.239
  476   2HE   LYS  46          3HE       LYS  46   9.629   6.263  -1.278
  477   1HZ   LYS  46          3HZ       LYS  46   6.893   5.220  -0.890
  478   2HZ   LYS  46          1HZ       LYS  46   7.286   6.636  -1.618
  479   3HZ   LYS  46          2HZ       LYS  46   7.732   5.216  -2.310
  480    QB   LYS  46           QB       LYS  46   9.644   2.166   1.167
  481    QG   LYS  46           QG       LYS  46   7.787   3.655   0.576
  482    QD   LYS  46           QD       LYS  46  10.013   4.143  -0.457
  483    QE   LYS  46           QE       LYS  46   9.175   6.285  -0.519
  484    QZ   LYS  46           QZ       LYS  46   7.304   5.691  -1.606
  485    H    SER  47           HN       SER  47   7.138   0.491   3.516
  486    HA   SER  47           HA       SER  47   8.274  -2.155   3.576
  487   1HB   SER  47          2HB       SER  47   9.707  -1.890   5.511
  488   2HB   SER  47          3HB       SER  47  10.270  -0.805   4.233
  489    HG   SER  47           HG       SER  47  10.136   0.308   6.211
  490    QB   SER  47           QB       SER  47   9.988  -1.347   4.872
  491    H    ALA  48           HN       ALA  48   7.581  -3.344   5.503
  492    HA   ALA  48           HA       ALA  48   5.008  -2.616   6.508
  493   1HB   ALA  48          2HB       ALA  48   7.034  -4.596   7.619
  494   2HB   ALA  48          3HB       ALA  48   5.343  -4.436   8.133
  495   3HB   ALA  48          1HB       ALA  48   5.709  -4.958   6.478
  496    QB   ALA  48           QB       ALA  48   6.028  -4.664   7.410
  497    H    GLU  49           HN       GLU  49   8.349  -2.069   7.666
  498    HA   GLU  49           HA       GLU  49   7.736  -1.192  10.259
  499   1HB   GLU  49          2HB       GLU  49  10.021  -1.593   9.486
  500   2HB   GLU  49          3HB       GLU  49   9.956  -0.187   8.408
  501   1HG   GLU  49          2HG       GLU  49   9.706   1.326  10.304
  502   2HG   GLU  49          3HG       GLU  49   9.537  -0.042  11.419
  503    QB   GLU  49           QB       GLU  49   9.988  -0.890   8.947
  504    QG   GLU  49           QG       GLU  49   9.622   0.642  10.862
  505    H    ASP  50           HN       ASP  50   7.974   0.785   7.226
  506    HA   ASP  50           HA       ASP  50   7.182   3.121   8.713
  507   1HB   ASP  50          2HB       ASP  50   8.515   2.910   6.426
  508   2HB   ASP  50          3HB       ASP  50   6.893   3.114   5.732
  509    QB   ASP  50           QB       ASP  50   7.704   3.012   6.079
  510    H    CYS  51           HN       CYS  51   5.458   0.832   6.595
  511    HA   CYS  51           HA       CYS  51   2.891   1.992   6.581
  512   1HB   CYS  51          2HB       CYS  51   3.403  -0.046   5.343
  513   2HB   CYS  51          3HB       CYS  51   3.686  -0.913   6.842
  514    QB   CYS  51           QB       CYS  51   3.545  -0.480   6.092
  515    H    MET  52           HN       MET  52   4.193  -0.230   9.120
  516    HA   MET  52           HA       MET  52   1.881   0.078  10.773
  517   1HB   MET  52          2HB       MET  52   4.711  -0.859  11.403
  518   2HB   MET  52          3HB       MET  52   3.334  -0.959  12.509
  519   1HG   MET  52          2HG       MET  52   2.093  -2.333  10.838
  520   2HG   MET  52          3HG       MET  52   3.490  -2.278   9.778
  521   1HE   MET  52          3HE       MET  52   2.013  -3.704  13.076
  522   2HE   MET  52          1HE       MET  52   1.625  -4.630  11.603
  523   3HE   MET  52          2HE       MET  52   2.646  -5.357  12.864
  524    QB   MET  52           QB       MET  52   4.022  -0.909  11.956
  525    QG   MET  52           QG       MET  52   2.791  -2.305  10.308
  526    QE   MET  52           QE       MET  52   2.095  -4.564  12.515
  527    H    ARG  53           HN       ARG  53   5.091   1.705  10.745
  528    HA   ARG  53           HA       ARG  53   4.675   3.298  13.028
  529   1HB   ARG  53          2HB       ARG  53   6.807   2.917  11.818
  530   2HB   ARG  53          3HB       ARG  53   6.254   4.017  10.535
  531   1HG   ARG  53          2HG       ARG  53   6.299   5.898  12.041
  532   2HG   ARG  53          3HG       ARG  53   6.431   4.842  13.455
  533   1HD   ARG  53          2HD       ARG  53   8.570   5.878  12.975
  534   2HD   ARG  53          3HD       ARG  53   8.660   4.108  12.808
  535    HE   ARG  53           HE       ARG  53   8.146   5.062  10.212
  536   1HH1  ARG  53          2HH2      ARG  53  10.686   5.294  12.625
  537   2HH1  ARG  53          1HH2      ARG  53  11.964   5.599  11.484
  538   1HH2  ARG  53          2HH1      ARG  53   9.681   5.553   8.714
  539   2HH2  ARG  53          1HH1      ARG  53  11.381   5.700   9.127
  540    QB   ARG  53           QB       ARG  53   6.530   3.467  11.176
  541    QG   ARG  53           QG       ARG  53   6.365   5.370  12.748
  542    QD   ARG  53           QD       ARG  53   8.615   4.993  12.892
  543    QH1  ARG  53           QH2      ARG  53  11.325   5.447  12.054
  544    QH2  ARG  53           QH1      ARG  53  10.531   5.627   8.921
  545    H    THR  54           HN       THR  54   3.448   3.708   9.726
  546    HA   THR  54           HA       THR  54   2.225   6.306  10.321
  547    HB   THR  54           HB       THR  54   2.152   4.437   7.927
  548    HG1  THR  54          1HG       THR  54   4.051   5.572   8.354
  549   1HG2  THR  54          2HG2      THR  54   0.586   6.968   8.494
  550   2HG2  THR  54          3HG2      THR  54   1.174   6.654   6.860
  551   3HG2  THR  54          1HG2      THR  54   0.091   5.492   7.639
  552    QG2  THR  54           QG2      THR  54   0.617   6.372   7.665
  553    H    CYS  55           HN       CYS  55   0.805   3.099   9.449
  554    HA   CYS  55           HA       CYS  55  -1.786   4.007  10.637
  555   1HB   CYS  55          2HB       CYS  55  -1.439   3.792   8.102
  556   2HB   CYS  55          3HB       CYS  55  -1.531   2.045   8.334
  557    QB   CYS  55           QB       CYS  55  -1.485   2.919   8.218
  558    H    GLY  56           HN       GLY  56   0.469   2.405  11.952
  559   1HA   GLY  56          1HA       GLY  56   0.079  -0.266  12.156
  560   2HA   GLY  56          2HA       GLY  56   0.529   0.761  13.524
  561    QA   GLY  56           QA       GLY  56   0.304   0.248  12.840
  562    H    GLY  57           HN       GLY  57  -1.432   1.985  14.513
  563   1HA   GLY  57          1HA       GLY  57  -3.208   1.688  15.947
  564   2HA   GLY  57          2HA       GLY  57  -4.037   0.904  14.587
  565    QA   GLY  57           QA       GLY  57  -3.623   1.296  15.267
  566    H    ALA  58           HN       ALA  58  -4.686  -1.093  15.105
  567    HA   ALA  58           HA       ALA  58  -4.840  -3.188  15.916
  568   1HB   ALA  58          3HB       ALA  58  -2.547  -3.489  14.909
  569   2HB   ALA  58          1HB       ALA  58  -1.856  -3.139  16.509
  570   3HB   ALA  58          2HB       ALA  58  -2.908  -4.543  16.289
  571    QB   ALA  58           QB       ALA  58  -2.437  -3.724  15.903
   
  No H/Q in entry =         571
  Start of MODEL    9
    1    H    ARG   1           HN       ARG   1  -6.607   3.982  15.463
    2    HA   ARG   1           HA       ARG   1  -5.281   4.773  13.464
    3   1HB   ARG   1          2HB       ARG   1  -5.732   2.774  12.107
    4   2HB   ARG   1          3HB       ARG   1  -5.581   2.372  13.813
    5   1HG   ARG   1          2HG       ARG   1  -7.900   1.904  14.029
    6   2HG   ARG   1          3HG       ARG   1  -8.338   2.809  12.581
    7   1HD   ARG   1          2HD       ARG   1  -8.482   0.395  12.141
    8   2HD   ARG   1          3HD       ARG   1  -7.372   1.254  11.092
    9    HE   ARG   1           HE       ARG   1  -5.656  -0.041  11.802
   10   1HH1  ARG   1          2HH2      ARG   1  -8.180  -0.222  14.245
   11   2HH1  ARG   1          1HH2      ARG   1  -7.380  -1.411  15.229
   12   1HH2  ARG   1          2HH1      ARG   1  -4.660  -1.757  12.945
   13   2HH2  ARG   1          1HH1      ARG   1  -5.229  -2.197  14.533
   14    QB   ARG   1           QB       ARG   1  -5.656   2.573  12.960
   15    QG   ARG   1           QG       ARG   1  -8.119   2.357  13.305
   16    QD   ARG   1           QD       ARG   1  -7.927   0.825  11.616
   17    QH1  ARG   1           QH2      ARG   1  -7.780  -0.816  14.737
   18    QH2  ARG   1           QH1      ARG   1  -4.945  -1.977  13.739
   19    HA   PRO   2           HA       PRO   2  -8.044   6.852  10.550
   20   1HB   PRO   2          2HB       PRO   2  -6.625   6.734   8.188
   21   2HB   PRO   2          3HB       PRO   2  -6.253   7.852   9.498
   22   1HG   PRO   2          2HG       PRO   2  -4.869   5.318   8.704
   23   2HG   PRO   2          3HG       PRO   2  -4.170   6.747   9.500
   24   1HD   PRO   2          2HD       PRO   2  -4.881   4.330  10.751
   25   2HD   PRO   2          3HD       PRO   2  -4.538   5.877  11.575
   26    QB   PRO   2           QB       PRO   2  -6.439   7.293   8.843
   27    QG   PRO   2           QG       PRO   2  -4.519   6.033   9.102
   28    QD   PRO   2           QD       PRO   2  -4.709   5.104  11.163
   29    H    ASP   3           HN       ASP   3  -9.257   6.540   8.549
   30    HA   ASP   3           HA       ASP   3 -10.096   3.821   8.186
   31   1HB   ASP   3          2HB       ASP   3 -11.642   5.766   8.374
   32   2HB   ASP   3          3HB       ASP   3 -11.056   6.352   6.801
   33    QB   ASP   3           QB       ASP   3 -11.349   6.059   7.588
   34    H    PHE   4           HN       PHE   4  -8.028   6.098   6.396
   35    HA   PHE   4           HA       PHE   4  -8.353   4.851   3.829
   36   1HB   PHE   4          2HB       PHE   4  -6.403   5.956   3.112
   37   2HB   PHE   4          3HB       PHE   4  -7.344   7.075   4.080
   38    HD1  PHE   4          1HD       PHE   4  -4.310   4.823   4.116
   39    HD2  PHE   4          2HD       PHE   4  -6.309   8.200   5.925
   40    HE1  PHE   4          1HE       PHE   4  -2.457   5.068   5.729
   41    HE2  PHE   4          2HE       PHE   4  -4.413   8.466   7.497
   42    HZ   PHE   4           HZ       PHE   4  -2.592   6.805   7.517
   43    QB   PHE   4           QB       PHE   4  -6.874   6.516   3.596
   44    QR   PHE   4           QR       PHE   4  -4.372   6.639   5.817
   45    H    CYS   5           HN       CYS   5  -6.806   3.727   6.689
   46    HA   CYS   5           HA       CYS   5  -4.824   2.090   5.405
   47   1HB   CYS   5          2HB       CYS   5  -5.449   2.819   8.065
   48   2HB   CYS   5          3HB       CYS   5  -5.642   1.068   8.009
   49    QB   CYS   5           QB       CYS   5  -5.545   1.944   8.037
   50    H    LEU   6           HN       LEU   6  -8.225   1.834   5.357
   51    HA   LEU   6           HA       LEU   6  -8.088  -1.121   4.943
   52   1HB   LEU   6          2HB       LEU   6 -10.549   0.605   5.285
   53   2HB   LEU   6          3HB       LEU   6 -10.419  -1.142   5.288
   54    HG   LEU   6           HG       LEU   6  -8.633  -0.407   7.336
   55   1HD1  LEU   6          3HD1      LEU   6 -10.674   1.708   7.132
   56   2HD1  LEU   6          1HD1      LEU   6 -10.780   0.844   8.653
   57   3HD1  LEU   6          2HD1      LEU   6  -9.245   1.589   8.182
   58   1HD2  LEU   6          2HD2      LEU   6 -10.194  -2.327   7.221
   59   2HD2  LEU   6          3HD2      LEU   6 -10.192  -1.503   8.786
   60   3HD2  LEU   6          1HD2      LEU   6 -11.526  -1.248   7.624
   61    QB   LEU   6           QB       LEU   6 -10.484  -0.269   5.287
   62    QD1  LEU   6           QD1      LEU   6 -10.233   1.380   7.989
   63    QD2  LEU   6           QD2      LEU   6 -10.637  -1.692   7.877
   64    QQD  LEU   6           QQD      LEU   6 -10.435  -0.156   7.933
   65    H    GLU   7           HN       GLU   7  -7.157   0.975   2.944
   66    HA   GLU   7           HA       GLU   7  -9.101   0.739   0.768
   67   1HB   GLU   7          2HB       GLU   7  -6.656   2.225   1.320
   68   2HB   GLU   7          3HB       GLU   7  -6.611   1.519  -0.300
   69   1HG   GLU   7          2HG       GLU   7  -8.861   2.682  -0.665
   70   2HG   GLU   7          3HG       GLU   7  -8.553   3.524   0.861
   71    QB   GLU   7           QB       GLU   7  -6.633   1.872   0.510
   72    QG   GLU   7           QG       GLU   7  -8.707   3.103   0.098
   73    HA   PRO   8           HA       PRO   8  -7.095  -2.927  -0.963
   74   1HB   PRO   8          2HB       PRO   8  -8.008  -2.909  -3.538
   75   2HB   PRO   8          3HB       PRO   8  -9.087  -3.172  -2.139
   76   1HG   PRO   8          2HG       PRO   8  -8.626  -0.627  -3.707
   77   2HG   PRO   8          3HG       PRO   8 -10.173  -1.312  -3.129
   78   1HD   PRO   8          2HD       PRO   8  -8.695   0.682  -1.832
   79   2HD   PRO   8          3HD       PRO   8  -9.878  -0.392  -1.023
   80    QB   PRO   8           QB       PRO   8  -8.547  -3.040  -2.839
   81    QG   PRO   8           QG       PRO   8  -9.400  -0.970  -3.418
   82    QD   PRO   8           QD       PRO   8  -9.286   0.145  -1.428
   83    HA   PRO   9           HA       PRO   9  -3.350  -1.506  -2.799
   84   1HB   PRO   9          2HB       PRO   9  -2.383  -3.729  -4.078
   85   2HB   PRO   9          3HB       PRO   9  -2.494  -3.570  -2.305
   86   1HG   PRO   9          2HG       PRO   9  -4.345  -4.999  -4.214
   87   2HG   PRO   9          3HG       PRO   9  -3.764  -5.548  -2.613
   88   1HD   PRO   9          2HD       PRO   9  -6.232  -4.377  -3.059
   89   2HD   PRO   9          3HD       PRO   9  -5.371  -4.268  -1.508
   90    QB   PRO   9           QB       PRO   9  -2.439  -3.649  -3.191
   91    QG   PRO   9           QG       PRO   9  -4.054  -5.273  -3.413
   92    QD   PRO   9           QD       PRO   9  -5.801  -4.323  -2.284
   93    H    TYR  10           HN       TYR  10  -4.133   0.085  -4.215
   94    HA   TYR  10           HA       TYR  10  -5.072  -0.551  -6.879
   95   1HB   TYR  10          2HB       TYR  10  -5.827   1.360  -5.416
   96   2HB   TYR  10          3HB       TYR  10  -4.275   2.138  -5.693
   97    HD1  TYR  10           HD1      TYR  10  -7.163   0.595  -7.535
   98    HD2  TYR  10           HD2      TYR  10  -4.105   3.633  -7.575
   99    HE1  TYR  10           HE1      TYR  10  -8.055   1.472  -9.676
  100    HE2  TYR  10           HE2      TYR  10  -5.117   4.604  -9.624
  101    HH   TYR  10           HH       TYR  10  -6.633   4.300 -11.338
  102    QB   TYR  10           QB       TYR  10  -5.051   1.749  -5.554
  103    QR   TYR  10           QR       TYR  10  -6.110   2.576  -8.603
  104    H    THR  11           HN       THR  11  -3.591  -1.278  -8.429
  105    HA   THR  11           HA       THR  11  -0.846  -0.533  -8.387
  106    HB   THR  11           HB       THR  11  -2.587  -1.882 -10.452
  107    HG1  THR  11          1HG       THR  11  -1.095  -3.515  -9.930
  108   1HG2  THR  11          2HG2      THR  11   0.342  -1.172 -10.877
  109   2HG2  THR  11          3HG2      THR  11  -0.612  -2.274 -11.866
  110   3HG2  THR  11          1HG2      THR  11  -1.006  -0.553 -11.857
  111    QG2  THR  11           QG2      THR  11  -0.425  -1.333 -11.533
  112    H    GLY  12           HN       GLY  12  -3.624   0.836 -10.073
  113   1HA   GLY  12          1HA       GLY  12  -3.809   3.098 -10.706
  114   2HA   GLY  12          2HA       GLY  12  -2.052   3.306 -10.700
  115    QA   GLY  12           QA       GLY  12  -2.931   3.202 -10.703
  116    HA   PRO  13           HA       PRO  13  -3.726   2.076 -14.926
  117   1HB   PRO  13          2HB       PRO  13  -3.835   4.487 -16.243
  118   2HB   PRO  13          3HB       PRO  13  -5.140   3.870 -15.213
  119   1HG   PRO  13          2HG       PRO  13  -3.049   5.922 -14.515
  120   2HG   PRO  13          3HG       PRO  13  -4.802   5.937 -14.153
  121   1HD   PRO  13          2HD       PRO  13  -2.821   5.117 -12.365
  122   2HD   PRO  13          3HD       PRO  13  -4.523   4.565 -12.308
  123    QB   PRO  13           QB       PRO  13  -4.487   4.179 -15.728
  124    QG   PRO  13           QG       PRO  13  -3.925   5.929 -14.334
  125    QD   PRO  13           QD       PRO  13  -3.672   4.841 -12.336
  126    H    CYS  14           HN       CYS  14  -0.854   2.055 -13.639
  127    HA   CYS  14           HA       CYS  14   0.545   3.619 -15.843
  128   1HB   CYS  14          2HB       CYS  14   1.771   2.934 -13.256
  129   2HB   CYS  14          3HB       CYS  14   2.379   4.058 -14.462
  130    QB   CYS  14           QB       CYS  14   2.075   3.496 -13.859
  131    H    LYS  15           HN       LYS  15   2.120   2.675 -17.022
  132    HA   LYS  15           HA       LYS  15   1.954  -0.279 -17.062
  133   1HB   LYS  15          2HB       LYS  15   2.621   1.903 -19.032
  134   2HB   LYS  15          3HB       LYS  15   3.141   0.263 -19.358
  135   1HG   LYS  15          2HG       LYS  15   0.312   0.416 -18.456
  136   2HG   LYS  15          3HG       LYS  15   0.596   1.359 -19.897
  137   1HD   LYS  15          2HD       LYS  15   1.873  -1.329 -20.024
  138   2HD   LYS  15          3HD       LYS  15   0.164  -1.442 -19.716
  139   1HE   LYS  15          2HE       LYS  15   0.868   0.483 -21.921
  140   2HE   LYS  15          3HE       LYS  15   1.423  -1.157 -22.200
  141   1HZ   LYS  15          3HZ       LYS  15  -1.131  -1.498 -21.368
  142   2HZ   LYS  15          1HZ       LYS  15  -1.217  -0.156 -22.312
  143   3HZ   LYS  15          2HZ       LYS  15  -0.588  -1.548 -22.913
  144    QB   LYS  15           QB       LYS  15   2.881   1.083 -19.195
  145    QG   LYS  15           QG       LYS  15   0.454   0.887 -19.176
  146    QD   LYS  15           QD       LYS  15   1.019  -1.385 -19.870
  147    QE   LYS  15           QE       LYS  15   1.145  -0.337 -22.060
  148    QZ   LYS  15           QZ       LYS  15  -0.979  -1.067 -22.197
  149    H    ALA  16           HN       ALA  16   3.159   0.000 -14.957
  150    HA   ALA  16           HA       ALA  16   5.908  -0.834 -15.463
  151   1HB   ALA  16          3HB       ALA  16   5.275   1.533 -13.641
  152   2HB   ALA  16          1HB       ALA  16   6.846   0.711 -13.753
  153   3HB   ALA  16          2HB       ALA  16   6.206   1.599 -15.149
  154    QB   ALA  16           QB       ALA  16   6.109   1.281 -14.181
  155    H    ARG  17           HN       ARG  17   6.818  -1.552 -13.122
  156    HA   ARG  17           HA       ARG  17   4.674  -2.400 -11.334
  157   1HB   ARG  17          2HB       ARG  17   6.770  -4.455 -11.957
  158   2HB   ARG  17          3HB       ARG  17   5.191  -4.591 -11.339
  159   1HG   ARG  17          2HG       ARG  17   5.043  -5.631 -13.353
  160   2HG   ARG  17          3HG       ARG  17   4.239  -4.084 -13.633
  161   1HD   ARG  17          2HD       ARG  17   6.015  -3.353 -15.085
  162   2HD   ARG  17          3HD       ARG  17   7.208  -4.297 -14.208
  163    HE   ARG  17           HE       ARG  17   6.940  -6.010 -15.626
  164   1HH1  ARG  17          2HH2      ARG  17   4.034  -4.049 -15.777
  165   2HH1  ARG  17          1HH2      ARG  17   3.240  -4.989 -17.004
  166   1HH2  ARG  17          2HH1      ARG  17   5.925  -7.339 -17.220
  167   2HH2  ARG  17          1HH1      ARG  17   4.371  -6.916 -17.859
  168    QB   ARG  17           QB       ARG  17   5.980  -4.523 -11.648
  169    QG   ARG  17           QG       ARG  17   4.641  -4.857 -13.493
  170    QD   ARG  17           QD       ARG  17   6.611  -3.825 -14.646
  171    QH1  ARG  17           QH2      ARG  17   3.637  -4.519 -16.391
  172    QH2  ARG  17           QH1      ARG  17   5.148  -7.127 -17.539
  173    H    ILE  18           HN       ILE  18   5.365  -1.738  -9.371
  174    HA   ILE  18           HA       ILE  18   8.261  -1.706  -8.672
  175    HB   ILE  18           HB       ILE  18   6.149   0.425  -8.080
  176   1HG1  ILE  18          2HG1      ILE  18   8.605   0.527  -9.872
  177   2HG1  ILE  18          3HG1      ILE  18   6.920   0.461 -10.405
  178   1HG2  ILE  18          2HG2      ILE  18   8.991  -0.036  -7.116
  179   2HG2  ILE  18          3HG2      ILE  18   8.326   1.603  -7.173
  180   3HG2  ILE  18          1HG2      ILE  18   7.540   0.377  -6.188
  181   1HD1  ILE  18          3HD1      ILE  18   6.496   2.594  -9.119
  182   2HD1  ILE  18          1HD1      ILE  18   8.264   2.790  -9.039
  183   3HD1  ILE  18          2HD1      ILE  18   7.455   2.706 -10.609
  184    QG1  ILE  18           QG1      ILE  18   7.763   0.494 -10.138
  185    QG2  ILE  18           QG2      ILE  18   8.286   0.648  -6.826
  186    QD1  ILE  18           QD1      ILE  18   7.405   2.697  -9.589
  187    H    ILE  19           HN       ILE  19   8.484  -3.144  -6.999
  188    HA   ILE  19           HA       ILE  19   6.269  -4.099  -5.487
  189    HB   ILE  19           HB       ILE  19   9.230  -4.164  -4.809
  190   1HG1  ILE  19          2HG1      ILE  19   8.909  -5.271  -6.936
  191   2HG1  ILE  19          3HG1      ILE  19   9.167  -6.474  -5.683
  192   1HG2  ILE  19          3HG2      ILE  19   6.838  -5.633  -3.634
  193   2HG2  ILE  19          1HG2      ILE  19   8.510  -6.202  -3.451
  194   3HG2  ILE  19          2HG2      ILE  19   8.036  -4.629  -2.800
  195   1HD1  ILE  19          1HD1      ILE  19   6.613  -6.778  -5.603
  196   2HD1  ILE  19          2HD1      ILE  19   6.559  -5.770  -7.068
  197   3HD1  ILE  19          3HD1      ILE  19   7.430  -7.310  -7.079
  198    QG1  ILE  19           QG1      ILE  19   9.038  -5.873  -6.309
  199    QG2  ILE  19           QG2      ILE  19   7.795  -5.488  -3.295
  200    QD1  ILE  19           QD1      ILE  19   6.867  -6.619  -6.583
  201    H    ARG  20           HN       ARG  20   5.198  -3.229  -3.853
  202    HA   ARG  20           HA       ARG  20   6.350  -1.149  -2.109
  203   1HB   ARG  20          2HB       ARG  20   3.813  -1.003  -3.829
  204   2HB   ARG  20          3HB       ARG  20   3.942  -0.055  -2.348
  205   1HG   ARG  20          2HG       ARG  20   5.801   0.145  -4.725
  206   2HG   ARG  20          3HG       ARG  20   4.549   1.292  -4.255
  207   1HD   ARG  20          2HD       ARG  20   6.034   2.367  -3.006
  208   2HD   ARG  20          3HD       ARG  20   6.032   1.027  -1.887
  209    HE   ARG  20           HE       ARG  20   7.780   0.020  -3.610
  210   1HH1  ARG  20          2HH2      ARG  20   7.673   3.207  -2.132
  211   2HH1  ARG  20          1HH2      ARG  20   9.197   3.762  -2.749
  212   1HH2  ARG  20          2HH1      ARG  20   9.823   0.644  -4.409
  213   2HH2  ARG  20          1HH1      ARG  20  10.491   2.217  -4.092
  214    QB   ARG  20           QB       ARG  20   3.877  -0.529  -3.088
  215    QG   ARG  20           QG       ARG  20   5.175   0.718  -4.490
  216    QD   ARG  20           QD       ARG  20   6.033   1.697  -2.446
  217    QH1  ARG  20           QH2      ARG  20   8.435   3.485  -2.440
  218    QH2  ARG  20           QH1      ARG  20  10.157   1.430  -4.250
  219    H    TYR  21           HN       TYR  21   4.455  -0.691  -0.348
  220    HA   TYR  21           HA       TYR  21   3.365  -3.323   0.427
  221   1HB   TYR  21          2HB       TYR  21   4.477  -1.449   2.476
  222   2HB   TYR  21          3HB       TYR  21   4.104  -3.132   2.640
  223    HD1  TYR  21           HD1      TYR  21   6.563  -1.110   0.499
  224    HD2  TYR  21           HD2      TYR  21   5.966  -4.424   3.182
  225    HE1  TYR  21           HE1      TYR  21   8.698  -2.074  -0.235
  226    HE2  TYR  21           HE2      TYR  21   8.232  -5.248   2.630
  227    HH   TYR  21           HH       TYR  21  10.053  -5.047   1.188
  228    QB   TYR  21           QB       TYR  21   4.291  -2.291   2.558
  229    QR   TYR  21           QR       TYR  21   7.365  -3.214   1.519
  230    H    PHE  22           HN       PHE  22   1.753  -3.083   2.236
  231    HA   PHE  22           HA       PHE  22   0.332  -0.571   2.399
  232   1HB   PHE  22          2HB       PHE  22  -1.582  -0.945   1.237
  233   2HB   PHE  22          3HB       PHE  22  -0.341  -1.205   0.074
  234    HD1  PHE  22          2HD       PHE  22   0.435  -4.020   0.341
  235    HD2  PHE  22          1HD       PHE  22  -3.477  -2.240   0.741
  236    HE1  PHE  22          2HE       PHE  22  -0.630  -6.218  -0.006
  237    HE2  PHE  22          1HE       PHE  22  -4.514  -4.429   0.549
  238    HZ   PHE  22           HZ       PHE  22  -3.106  -6.417   0.056
  239    QB   PHE  22           QB       PHE  22  -0.962  -1.075   0.655
  240    QR   PHE  22           QR       PHE  22  -2.047  -4.227   0.406
  241    H    TYR  23           HN       TYR  23  -1.314  -0.654   3.953
  242    HA   TYR  23           HA       TYR  23  -1.324  -2.921   5.789
  243   1HB   TYR  23          2HB       TYR  23  -1.622  -0.409   6.306
  244   2HB   TYR  23          3HB       TYR  23  -3.256  -0.596   5.714
  245    HD1  TYR  23           HD2      TYR  23  -4.635  -2.601   6.857
  246    HD2  TYR  23           HD1      TYR  23  -1.227  -0.599   8.584
  247    HE1  TYR  23           HE2      TYR  23  -5.422  -3.208   9.114
  248    HE2  TYR  23           HE1      TYR  23  -2.067  -1.125  10.848
  249    HH   TYR  23           HH       TYR  23  -4.868  -3.238  11.343
  250    QB   TYR  23           QB       TYR  23  -2.439  -0.503   6.010
  251    QR   TYR  23           QR       TYR  23  -3.338  -1.884   8.851
  252    H    ASN  24           HN       ASN  24  -2.503  -4.804   5.199
  253    HA   ASN  24           HA       ASN  24  -4.832  -4.413   3.349
  254   1HB   ASN  24          2HB       ASN  24  -3.120  -5.959   2.641
  255   2HB   ASN  24          3HB       ASN  24  -3.316  -6.952   4.067
  256   1HD2  ASN  24          2HD2      ASN  24  -5.330  -8.452   1.298
  257   2HD2  ASN  24          1HD2      ASN  24  -3.654  -8.319   1.808
  258    QB   ASN  24           QB       ASN  24  -3.218  -6.456   3.354
  259    QD2  ASN  24           QD2      ASN  24  -4.492  -8.385   1.553
  260    H    ALA  25           HN       ALA  25  -6.308  -3.685   4.982
  261    HA   ALA  25           HA       ALA  25  -6.778  -5.033   7.411
  262   1HB   ALA  25          1HB       ALA  25  -7.822  -2.914   6.800
  263   2HB   ALA  25          2HB       ALA  25  -8.763  -3.725   5.519
  264   3HB   ALA  25          3HB       ALA  25  -9.036  -4.152   7.229
  265    QB   ALA  25           QB       ALA  25  -8.540  -3.597   6.516
  266    H    LYS  26           HN       LYS  26  -7.098  -6.424   4.199
  267    HA   LYS  26           HA       LYS  26  -9.342  -8.185   5.078
  268   1HB   LYS  26          2HB       LYS  26  -9.158  -7.185   2.737
  269   2HB   LYS  26          3HB       LYS  26  -7.827  -8.312   2.474
  270   1HG   LYS  26          2HG       LYS  26  -9.369  -9.716   1.743
  271   2HG   LYS  26          3HG       LYS  26  -9.739 -10.049   3.435
  272   1HD   LYS  26          2HD       LYS  26 -11.543  -8.417   3.455
  273   2HD   LYS  26          3HD       LYS  26 -11.143  -7.857   1.832
  274   1HE   LYS  26          2HE       LYS  26 -12.236 -10.619   2.568
  275   2HE   LYS  26          3HE       LYS  26 -13.106  -9.296   1.783
  276   1HZ   LYS  26          2HZ       LYS  26 -11.339  -9.488   0.006
  277   2HZ   LYS  26          3HZ       LYS  26 -10.972 -10.953   0.663
  278   3HZ   LYS  26          1HZ       LYS  26 -12.476 -10.673   0.071
  279    QB   LYS  26           QB       LYS  26  -8.493  -7.749   2.605
  280    QG   LYS  26           QG       LYS  26  -9.554  -9.882   2.589
  281    QD   LYS  26           QD       LYS  26 -11.343  -8.137   2.643
  282    QE   LYS  26           QE       LYS  26 -12.671  -9.957   2.175
  283    QZ   LYS  26           QZ       LYS  26 -11.596 -10.371   0.247
  284    H    ALA  27           HN       ALA  27  -5.849  -8.081   4.929
  285    HA   ALA  27           HA       ALA  27  -5.642 -11.027   5.472
  286   1HB   ALA  27          3HB       ALA  27  -3.692  -9.096   4.211
  287   2HB   ALA  27          1HB       ALA  27  -3.377 -10.808   4.533
  288   3HB   ALA  27          2HB       ALA  27  -4.618 -10.334   3.346
  289    QB   ALA  27           QB       ALA  27  -3.896 -10.079   4.030
  290    H    GLY  28           HN       GLY  28  -5.344  -7.916   6.847
  291   1HA   GLY  28          1HA       GLY  28  -4.779  -7.364   9.024
  292   2HA   GLY  28          2HA       GLY  28  -3.980  -8.932   9.257
  293    QA   GLY  28           QA       GLY  28  -4.380  -8.148   9.140
  294    H    LEU  29           HN       LEU  29  -2.594  -6.926  10.120
  295    HA   LEU  29           HA       LEU  29  -0.747  -5.622   9.977
  296   1HB   LEU  29          2HB       LEU  29   1.245  -7.032   9.529
  297   2HB   LEU  29          3HB       LEU  29   0.015  -7.715  10.561
  298    HG   LEU  29           HG       LEU  29  -0.813  -9.137   8.643
  299   1HD1  LEU  29          1HD1      LEU  29   1.794  -8.216   7.360
  300   2HD1  LEU  29          2HD1      LEU  29   0.788  -9.574   6.821
  301   3HD1  LEU  29          3HD1      LEU  29   0.157  -7.930   6.711
  302   1HD2  LEU  29          3HD2      LEU  29   2.049  -9.486   9.584
  303   2HD2  LEU  29          1HD2      LEU  29   0.578 -10.021  10.427
  304   3HD2  LEU  29          2HD2      LEU  29   1.018 -10.749   8.877
  305    QB   LEU  29           QB       LEU  29   0.630  -7.374  10.045
  306    QD1  LEU  29           QD1      LEU  29   0.913  -8.573   6.964
  307    QD2  LEU  29           QD2      LEU  29   1.215 -10.085   9.629
  308    QQD  LEU  29           QQD      LEU  29   1.064  -9.329   8.297
  309    H    CYS  30           HN       CYS  30   1.450  -6.011   7.876
  310    HA   CYS  30           HA       CYS  30   0.285  -4.374   5.695
  311   1HB   CYS  30          2HB       CYS  30   2.922  -3.950   7.135
  312   2HB   CYS  30          3HB       CYS  30   2.383  -3.100   5.689
  313    QB   CYS  30           QB       CYS  30   2.653  -3.525   6.412
  314    H    GLN  31           HN       GLN  31   0.732  -5.277   3.759
  315    HA   GLN  31           HA       GLN  31   2.893  -7.365   3.598
  316   1HB   GLN  31          2HB       GLN  31   0.005  -7.452   2.739
  317   2HB   GLN  31          3HB       GLN  31   1.192  -8.322   1.773
  318   1HG   GLN  31          2HG       GLN  31   1.703  -9.860   3.371
  319   2HG   GLN  31          3HG       GLN  31   1.422  -8.751   4.713
  320   1HE2  GLN  31          2HE2      GLN  31  -1.412 -11.385   4.112
  321   2HE2  GLN  31          1HE2      GLN  31   0.267 -11.591   3.658
  322    QB   GLN  31           QB       GLN  31   0.599  -7.887   2.256
  323    QG   GLN  31           QG       GLN  31   1.563  -9.306   4.042
  324    QE2  GLN  31           QE2      GLN  31  -0.573 -11.488   3.885
  325    H    THR  32           HN       THR  32   3.454  -7.812   1.300
  326    HA   THR  32           HA       THR  32   4.164  -5.294   0.039
  327    HB   THR  32           HB       THR  32   5.545  -6.816  -1.377
  328    HG1  THR  32          1HG       THR  32   4.145  -8.664  -1.205
  329   1HG2  THR  32          1HG2      THR  32   5.891  -6.193   1.352
  330   2HG2  THR  32          2HG2      THR  32   6.250  -7.915   1.266
  331   3HG2  THR  32          3HG2      THR  32   7.144  -6.776   0.241
  332    QG2  THR  32           QG2      THR  32   6.428  -6.961   0.953
  333    H    PHE  33           HN       PHE  33   3.725  -4.953  -2.318
  334    HA   PHE  33           HA       PHE  33   2.082  -6.818  -3.753
  335   1HB   PHE  33          2HB       PHE  33   0.164  -5.548  -4.137
  336   2HB   PHE  33          3HB       PHE  33   0.373  -5.449  -2.405
  337    HD1  PHE  33          2HD       PHE  33   1.821  -3.279  -1.601
  338    HD2  PHE  33          1HD       PHE  33  -0.365  -3.594  -5.307
  339    HE1  PHE  33          2HE       PHE  33   1.637  -0.799  -1.735
  340    HE2  PHE  33          1HE       PHE  33  -0.619  -1.146  -5.372
  341    HZ   PHE  33           HZ       PHE  33   0.362   0.261  -3.566
  342    QB   PHE  33           QB       PHE  33   0.268  -5.499  -3.271
  343    QR   PHE  33           QR       PHE  33   0.618  -2.204  -3.504
  344    H    VAL  34           HN       VAL  34   1.690  -5.825  -6.043
  345    HA   VAL  34           HA       VAL  34   4.134  -4.358  -6.919
  346    HB   VAL  34           HB       VAL  34   1.934  -5.866  -8.387
  347   1HG1  VAL  34          1HG1      VAL  34   4.227  -4.162  -9.448
  348   2HG1  VAL  34          2HG1      VAL  34   3.345  -5.359 -10.441
  349   3HG1  VAL  34          3HG1      VAL  34   2.510  -3.950  -9.798
  350   1HG2  VAL  34          1HG2      VAL  34   4.015  -7.045  -7.188
  351   2HG2  VAL  34          2HG2      VAL  34   3.468  -7.545  -8.794
  352   3HG2  VAL  34          3HG2      VAL  34   4.874  -6.479  -8.632
  353    QG1  VAL  34           QG1      VAL  34   3.361  -4.490  -9.896
  354    QG2  VAL  34           QG2      VAL  34   4.119  -7.023  -8.205
  355    QQG  VAL  34           QQG      VAL  34   3.740  -5.757  -9.050
  356    H    TYR  35           HN       TYR  35   3.927  -2.187  -7.337
  357    HA   TYR  35           HA       TYR  35   1.197  -1.026  -7.709
  358   1HB   TYR  35          2HB       TYR  35   2.133  -0.246  -5.645
  359   2HB   TYR  35          3HB       TYR  35   3.736  -0.086  -6.343
  360    HD1  TYR  35           HD1      TYR  35   0.264   1.297  -6.791
  361    HD2  TYR  35           HD2      TYR  35   4.509   2.041  -6.859
  362    HE1  TYR  35           HE1      TYR  35  -0.147   3.686  -7.409
  363    HE2  TYR  35           HE2      TYR  35   4.046   4.454  -7.287
  364    HH   TYR  35           HH       TYR  35   2.550   5.936  -8.036
  365    QB   TYR  35           QB       TYR  35   2.935  -0.166  -5.994
  366    QR   TYR  35           QR       TYR  35   2.168   2.869  -7.087
  367    H    GLY  36           HN       GLY  36   1.044   0.561  -9.379
  368   1HA   GLY  36          1HA       GLY  36   2.491   0.062 -11.734
  369   2HA   GLY  36          2HA       GLY  36   1.436   1.445 -11.438
  370    QA   GLY  36           QA       GLY  36   1.964   0.754 -11.586
  371    H    GLY  37           HN       GLY  37   2.350   3.414 -10.596
  372   1HA   GLY  37          1HA       GLY  37   4.778   4.006  -9.566
  373   2HA   GLY  37          2HA       GLY  37   5.215   3.767 -11.261
  374    QA   GLY  37           QA       GLY  37   4.996   3.886 -10.413
  375    H    CYS  38           HN       CYS  38   2.112   5.272 -10.247
  376    HA   CYS  38           HA       CYS  38   2.941   7.939 -10.417
  377   1HB   CYS  38          2HB       CYS  38   2.325   8.660 -12.549
  378   2HB   CYS  38          3HB       CYS  38   3.282   7.235 -12.869
  379    QB   CYS  38           QB       CYS  38   2.803   7.948 -12.709
  380    H    ARG  39           HN       ARG  39   1.181   9.189  -9.619
  381    HA   ARG  39           HA       ARG  39  -0.814   9.617  -8.673
  382   1HB   ARG  39          2HB       ARG  39  -1.448   8.310 -11.115
  383   2HB   ARG  39          3HB       ARG  39  -2.445   7.508  -9.955
  384   1HG   ARG  39          2HG       ARG  39  -3.842   9.179 -10.483
  385   2HG   ARG  39          3HG       ARG  39  -3.028  10.024  -9.177
  386   1HD   ARG  39          2HD       ARG  39  -1.874  11.447 -10.621
  387   2HD   ARG  39          3HD       ARG  39  -1.797  10.305 -11.945
  388    HE   ARG  39           HE       ARG  39  -3.804  12.294 -11.512
  389   1HH1  ARG  39          2HH2      ARG  39  -3.319   9.052 -12.780
  390   2HH1  ARG  39          1HH2      ARG  39  -4.713   9.049 -13.820
  391   1HH2  ARG  39          2HH1      ARG  39  -5.710  12.335 -12.858
  392   2HH2  ARG  39          1HH1      ARG  39  -6.113  10.967 -13.839
  393    QB   ARG  39           QB       ARG  39  -1.947   7.909 -10.535
  394    QG   ARG  39           QG       ARG  39  -3.435   9.601  -9.830
  395    QD   ARG  39           QD       ARG  39  -1.835  10.876 -11.283
  396    QH1  ARG  39           QH2      ARG  39  -4.016   9.051 -13.300
  397    QH2  ARG  39           QH1      ARG  39  -5.912  11.651 -13.348
  398    H    ALA  40           HN       ALA  40   0.866   7.977  -7.192
  399    HA   ALA  40           HA       ALA  40  -0.223   5.623  -6.117
  400   1HB   ALA  40          1HB       ALA  40   1.654   7.675  -4.924
  401   2HB   ALA  40          2HB       ALA  40   1.211   6.157  -4.114
  402   3HB   ALA  40          3HB       ALA  40   2.061   6.112  -5.657
  403    QB   ALA  40           QB       ALA  40   1.642   6.648  -4.898
  404    H    LYS  41           HN       LYS  41  -1.395   5.223  -4.152
  405    HA   LYS  41           HA       LYS  41  -3.064   7.488  -3.146
  406   1HB   LYS  41          2HB       LYS  41  -3.663   4.553  -3.608
  407   2HB   LYS  41          3HB       LYS  41  -4.460   5.338  -2.285
  408   1HG   LYS  41          2HG       LYS  41  -6.004   5.716  -3.847
  409   2HG   LYS  41          3HG       LYS  41  -5.115   7.241  -3.865
  410   1HD   LYS  41          2HD       LYS  41  -3.644   5.844  -5.704
  411   2HD   LYS  41          3HD       LYS  41  -5.176   4.959  -5.772
  412   1HE   LYS  41          2HE       LYS  41  -6.321   7.207  -6.213
  413   2HE   LYS  41          3HE       LYS  41  -4.720   7.982  -6.145
  414   1HZ   LYS  41          1HZ       LYS  41  -4.023   6.683  -7.989
  415   2HZ   LYS  41          2HZ       LYS  41  -5.526   5.954  -8.087
  416   3HZ   LYS  41          3HZ       LYS  41  -5.370   7.565  -8.390
  417    QB   LYS  41           QB       LYS  41  -4.062   4.945  -2.946
  418    QG   LYS  41           QG       LYS  41  -5.559   6.479  -3.856
  419    QD   LYS  41           QD       LYS  41  -4.410   5.402  -5.738
  420    QE   LYS  41           QE       LYS  41  -5.521   7.594  -6.179
  421    QZ   LYS  41           QZ       LYS  41  -4.973   6.734  -8.155
  422    H    ARG  42           HN       ARG  42  -3.952   6.724  -0.919
  423    HA   ARG  42           HA       ARG  42  -1.783   7.273   0.887
  424   1HB   ARG  42          2HB       ARG  42  -4.682   6.457   1.336
  425   2HB   ARG  42          3HB       ARG  42  -3.592   7.013   2.608
  426   1HG   ARG  42          2HG       ARG  42  -3.683   8.899   0.310
  427   2HG   ARG  42          3HG       ARG  42  -5.272   8.598   1.013
  428   1HD   ARG  42          2HD       ARG  42  -4.251  10.495   2.121
  429   2HD   ARG  42          3HD       ARG  42  -4.440   9.131   3.242
  430    HE   ARG  42           HE       ARG  42  -1.842   9.328   1.859
  431   1HH1  ARG  42          2HH2      ARG  42  -3.636  10.198   4.772
  432   2HH1  ARG  42          1HH2      ARG  42  -2.234  10.575   5.721
  433   1HH2  ARG  42          2HH1      ARG  42   0.045   9.813   3.093
  434   2HH2  ARG  42          1HH1      ARG  42  -0.091  10.348   4.734
  435    QB   ARG  42           QB       ARG  42  -4.137   6.735   1.972
  436    QG   ARG  42           QG       ARG  42  -4.478   8.748   0.662
  437    QD   ARG  42           QD       ARG  42  -4.345   9.813   2.682
  438    QH1  ARG  42           QH2      ARG  42  -2.935  10.386   5.247
  439    QH2  ARG  42           QH1      ARG  42  -0.023  10.081   3.914
  440    H    ASN  43           HN       ASN  43  -3.805   4.375   0.261
  441    HA   ASN  43           HA       ASN  43  -2.383   2.662   2.115
  442   1HB   ASN  43          2HB       ASN  43  -4.631   2.346   1.651
  443   2HB   ASN  43          3HB       ASN  43  -4.402   2.292  -0.096
  444   1HD2  ASN  43          2HD2      ASN  43  -3.947  -1.057   2.237
  445   2HD2  ASN  43          1HD2      ASN  43  -3.576   0.537   2.802
  446    QB   ASN  43           QB       ASN  43  -4.516   2.319   0.777
  447    QD2  ASN  43           QD2      ASN  43  -3.761  -0.260   2.520
  448    H    ASN  44           HN       ASN  44  -0.265   3.614   1.103
  449    HA   ASN  44           HA       ASN  44   0.980   1.432  -0.376
  450   1HB   ASN  44          2HB       ASN  44   0.013   2.762  -2.218
  451   2HB   ASN  44          3HB       ASN  44   0.864   4.199  -1.634
  452   1HD2  ASN  44          2HD2      ASN  44   2.778   2.484  -4.422
  453   2HD2  ASN  44          1HD2      ASN  44   1.105   2.970  -4.268
  454    QB   ASN  44           QB       ASN  44   0.439   3.480  -1.926
  455    QD2  ASN  44           QD2      ASN  44   1.941   2.727  -4.345
  456    H    PHE  45           HN       PHE  45   2.721   1.167   1.000
  457    HA   PHE  45           HA       PHE  45   4.239   3.575   1.915
  458   1HB   PHE  45          2HB       PHE  45   3.917   0.920   3.342
  459   2HB   PHE  45          3HB       PHE  45   4.689   2.371   3.965
  460    HD1  PHE  45          2HD       PHE  45   3.278   4.455   4.423
  461    HD2  PHE  45          1HD       PHE  45   1.586   0.597   3.592
  462    HE1  PHE  45          2HE       PHE  45   1.159   5.182   5.401
  463    HE2  PHE  45          1HE       PHE  45  -0.587   1.329   4.588
  464    HZ   PHE  45           HZ       PHE  45  -0.751   3.564   5.626
  465    QB   PHE  45           QB       PHE  45   4.303   1.645   3.653
  466    QR   PHE  45           QR       PHE  45   1.359   2.891   4.501
  467    H    LYS  46           HN       LYS  46   6.572   2.847   2.560
  468    HA   LYS  46           HA       LYS  46   7.639   1.263   0.331
  469   1HB   LYS  46          2HB       LYS  46   8.406   3.518   0.355
  470   2HB   LYS  46          3HB       LYS  46   8.733   3.498   2.104
  471   1HG   LYS  46          2HG       LYS  46  10.470   1.982   1.914
  472   2HG   LYS  46          3HG       LYS  46   9.946   1.506   0.264
  473   1HD   LYS  46          2HD       LYS  46  10.741   3.740  -0.579
  474   2HD   LYS  46          3HD       LYS  46  11.243   4.159   1.060
  475   1HE   LYS  46          2HE       LYS  46  13.147   3.398  -0.383
  476   2HE   LYS  46          3HE       LYS  46  12.954   2.458   1.102
  477   1HZ   LYS  46          3HZ       LYS  46  12.013   1.591  -1.552
  478   2HZ   LYS  46          1HZ       LYS  46  13.381   1.077  -0.808
  479   3HZ   LYS  46          2HZ       LYS  46  11.921   0.722  -0.153
  480    QB   LYS  46           QB       LYS  46   8.570   3.508   1.230
  481    QG   LYS  46           QG       LYS  46  10.208   1.744   1.089
  482    QD   LYS  46           QD       LYS  46  10.992   3.949   0.240
  483    QE   LYS  46           QE       LYS  46  13.050   2.928   0.360
  484    QZ   LYS  46           QZ       LYS  46  12.438   1.130  -0.838
  485    H    SER  47           HN       SER  47   7.135   1.242   3.848
  486    HA   SER  47           HA       SER  47   8.402  -1.400   3.900
  487   1HB   SER  47          2HB       SER  47   9.740  -0.941   5.849
  488   2HB   SER  47          3HB       SER  47  10.158   0.285   4.648
  489    HG   SER  47           HG       SER  47   9.764   1.475   6.428
  490    QB   SER  47           QB       SER  47   9.949  -0.328   5.249
  491    H    ALA  48           HN       ALA  48   7.698  -2.645   5.717
  492    HA   ALA  48           HA       ALA  48   4.976  -2.251   6.493
  493   1HB   ALA  48          1HB       ALA  48   5.973  -4.485   6.364
  494   2HB   ALA  48          2HB       ALA  48   7.109  -4.073   7.675
  495   3HB   ALA  48          3HB       ALA  48   5.365  -4.154   7.999
  496    QB   ALA  48           QB       ALA  48   6.149  -4.237   7.346
  497    H    GLU  49           HN       GLU  49   8.120  -1.425   7.937
  498    HA   GLU  49           HA       GLU  49   7.227  -0.692  10.523
  499   1HB   GLU  49          2HB       GLU  49   9.592  -0.962   9.989
  500   2HB   GLU  49          3HB       GLU  49   9.541   0.402   8.852
  501   1HG   GLU  49          2HG       GLU  49   9.063   1.950  10.609
  502   2HG   GLU  49          3HG       GLU  49   8.852   0.650  11.812
  503    QB   GLU  49           QB       GLU  49   9.567  -0.280   9.421
  504    QG   GLU  49           QG       GLU  49   8.957   1.300  11.210
  505    H    ASP  50           HN       ASP  50   7.599   1.333   7.525
  506    HA   ASP  50           HA       ASP  50   6.605   3.660   8.840
  507   1HB   ASP  50          2HB       ASP  50   7.922   3.323   6.527
  508   2HB   ASP  50          3HB       ASP  50   6.283   3.448   5.863
  509    QB   ASP  50           QB       ASP  50   7.103   3.386   6.195
  510    H    CYS  51           HN       CYS  51   5.053   1.344   6.613
  511    HA   CYS  51           HA       CYS  51   2.395   2.131   6.671
  512   1HB   CYS  51          2HB       CYS  51   3.211   0.183   5.438
  513   2HB   CYS  51          3HB       CYS  51   3.501  -0.680   6.940
  514    QB   CYS  51           QB       CYS  51   3.356  -0.248   6.189
  515    H    MET  52           HN       MET  52   3.883   0.044   9.237
  516    HA   MET  52           HA       MET  52   1.506   0.140  10.834
  517   1HB   MET  52          2HB       MET  52   4.267  -0.884  11.283
  518   2HB   MET  52          3HB       MET  52   3.477  -0.229  12.718
  519   1HG   MET  52          2HG       MET  52   1.443  -1.589  12.216
  520   2HG   MET  52          3HG       MET  52   2.375  -2.426  10.959
  521   1HE   MET  52          3HE       MET  52   0.757  -3.775  13.329
  522   2HE   MET  52          1HE       MET  52   1.732  -4.787  12.230
  523   3HE   MET  52          2HE       MET  52   1.898  -4.965  13.993
  524    QB   MET  52           QB       MET  52   3.872  -0.557  12.000
  525    QG   MET  52           QG       MET  52   1.909  -2.007  11.587
  526    QE   MET  52           QE       MET  52   1.462  -4.509  13.184
  527    H    ARG  53           HN       ARG  53   4.564   2.052  11.158
  528    HA   ARG  53           HA       ARG  53   3.809   3.646  13.314
  529   1HB   ARG  53          2HB       ARG  53   5.548   4.093  10.897
  530   2HB   ARG  53          3HB       ARG  53   5.167   5.480  11.929
  531   1HG   ARG  53          2HG       ARG  53   6.148   4.543  13.849
  532   2HG   ARG  53          3HG       ARG  53   6.134   2.901  13.183
  533   1HD   ARG  53          2HD       ARG  53   8.399   3.899  13.280
  534   2HD   ARG  53          3HD       ARG  53   7.881   3.346  11.673
  535    HE   ARG  53           HE       ARG  53   7.200   5.970  11.596
  536   1HH1  ARG  53          2HH2      ARG  53  10.240   4.161  12.047
  537   2HH1  ARG  53          1HH2      ARG  53  11.253   5.499  11.675
  538   1HH2  ARG  53          2HH1      ARG  53   8.542   7.663  10.831
  539   2HH2  ARG  53          1HH1      ARG  53  10.268   7.522  10.882
  540    QB   ARG  53           QB       ARG  53   5.357   4.786  11.413
  541    QG   ARG  53           QG       ARG  53   6.141   3.722  13.516
  542    QD   ARG  53           QD       ARG  53   8.140   3.622  12.477
  543    QH1  ARG  53           QH2      ARG  53  10.747   4.830  11.861
  544    QH2  ARG  53           QH1      ARG  53   9.405   7.593  10.857
  545    H    THR  54           HN       THR  54   2.860   4.108   9.906
  546    HA   THR  54           HA       THR  54   1.456   6.544  10.280
  547    HB   THR  54           HB       THR  54   1.093   4.281   8.268
  548    HG1  THR  54          1HG       THR  54   3.093   5.256   8.117
  549   1HG2  THR  54          2HG2      THR  54  -0.145   7.050   8.396
  550   2HG2  THR  54          3HG2      THR  54   0.015   6.159   6.882
  551   3HG2  THR  54          1HG2      THR  54  -0.933   5.464   8.189
  552    QG2  THR  54           QG2      THR  54  -0.354   6.224   7.822
  553    H    CYS  55           HN       CYS  55   0.397   3.192  10.884
  554    HA   CYS  55           HA       CYS  55  -2.368   4.189  11.562
  555   1HB   CYS  55          2HB       CYS  55  -1.566   1.677  10.060
  556   2HB   CYS  55          3HB       CYS  55  -3.181   1.989  10.708
  557    QB   CYS  55           QB       CYS  55  -2.373   1.833  10.384
  558    H    GLY  56           HN       GLY  56  -0.278   1.310  11.905
  559   1HA   GLY  56          1HA       GLY  56  -1.512   0.579  14.506
  560   2HA   GLY  56          2HA       GLY  56  -0.348  -0.360  13.555
  561    QA   GLY  56           QA       GLY  56  -0.930   0.110  14.031
  562    H    GLY  57           HN       GLY  57  -0.570   2.915  14.989
  563   1HA   GLY  57          1HA       GLY  57   1.741   2.567  16.725
  564   2HA   GLY  57          2HA       GLY  57   2.099   3.551  15.288
  565    QA   GLY  57           QA       GLY  57   1.920   3.059  16.007
  566    H    ALA  58           HN       ALA  58  -0.198   3.185  18.021
  567    HA   ALA  58           HA       ALA  58  -0.393   6.026  18.455
  568   1HB   ALA  58          1HB       ALA  58  -2.109   5.724  16.663
  569   2HB   ALA  58          2HB       ALA  58  -2.873   4.439  17.628
  570   3HB   ALA  58          3HB       ALA  58  -2.847   6.110  18.232
  571    QB   ALA  58           QB       ALA  58  -2.610   5.424  17.508
   
  No H/Q in entry =         571
  Start of MODEL   10
    1    H    ARG   1           HN       ARG   1  -8.476   5.031  14.565
    2    HA   ARG   1           HA       ARG   1  -6.538   4.517  13.218
    3   1HB   ARG   1          2HB       ARG   1  -6.426   2.535  11.878
    4   2HB   ARG   1          3HB       ARG   1  -6.702   2.064  13.540
    5   1HG   ARG   1          2HG       ARG   1  -8.522   0.877  12.969
    6   2HG   ARG   1          3HG       ARG   1  -9.312   2.298  12.333
    7   1HD   ARG   1          2HD       ARG   1  -9.235   1.444  10.313
    8   2HD   ARG   1          3HD       ARG   1  -7.505   1.604  10.252
    9    HE   ARG   1           HE       ARG   1  -9.008  -0.772  10.319
   10   1HH1  ARG   1          2HH2      ARG   1  -5.987   0.480  11.714
   11   2HH1  ARG   1          1HH2      ARG   1  -5.348  -1.139  11.991
   12   1HH2  ARG   1          2HH1      ARG   1  -8.127  -2.901  10.899
   13   2HH2  ARG   1          1HH1      ARG   1  -6.449  -2.930  11.421
   14    QB   ARG   1           QB       ARG   1  -6.564   2.299  12.709
   15    QG   ARG   1           QG       ARG   1  -8.917   1.588  12.651
   16    QD   ARG   1           QD       ARG   1  -8.370   1.524  10.283
   17    QH1  ARG   1           QH2      ARG   1  -5.667  -0.329  11.852
   18    QH2  ARG   1           QH1      ARG   1  -7.288  -2.916  11.160
   19    HA   PRO   2           HA       PRO   2  -9.021   6.555  10.124
   20   1HB   PRO   2          2HB       PRO   2  -7.361   6.611   7.919
   21   2HB   PRO   2          3HB       PRO   2  -7.222   7.706   9.295
   22   1HG   PRO   2          2HG       PRO   2  -5.602   5.298   8.594
   23   2HG   PRO   2          3HG       PRO   2  -5.070   6.735   9.504
   24   1HD   PRO   2          2HD       PRO   2  -5.704   4.260  10.623
   25   2HD   PRO   2          3HD       PRO   2  -5.671   5.811  11.506
   26    QB   PRO   2           QB       PRO   2  -7.292   7.158   8.607
   27    QG   PRO   2           QG       PRO   2  -5.336   6.017   9.049
   28    QD   PRO   2           QD       PRO   2  -5.688   5.035  11.065
   29    H    ASP   3           HN       ASP   3 -10.084   6.334   8.073
   30    HA   ASP   3           HA       ASP   3 -10.888   3.677   7.411
   31   1HB   ASP   3          2HB       ASP   3 -12.384   5.642   7.343
   32   2HB   ASP   3          3HB       ASP   3 -11.404   6.358   6.046
   33    QB   ASP   3           QB       ASP   3 -11.894   6.000   6.695
   34    H    PHE   4           HN       PHE   4  -8.575   5.979   5.974
   35    HA   PHE   4           HA       PHE   4  -8.470   4.636   3.444
   36   1HB   PHE   4          2HB       PHE   4  -6.572   5.864   2.905
   37   2HB   PHE   4          3HB       PHE   4  -7.645   6.937   3.785
   38    HD1  PHE   4          1HD       PHE   4  -4.515   4.881   4.022
   39    HD2  PHE   4          2HD       PHE   4  -6.877   8.006   5.836
   40    HE1  PHE   4          1HE       PHE   4  -2.842   5.100   5.823
   41    HE2  PHE   4          2HE       PHE   4  -5.148   8.290   7.583
   42    HZ   PHE   4           HZ       PHE   4  -3.199   6.748   7.664
   43    QB   PHE   4           QB       PHE   4  -7.109   6.401   3.345
   44    QR   PHE   4           QR       PHE   4  -4.846   6.569   5.816
   45    H    CYS   5           HN       CYS   5  -7.088   3.781   6.552
   46    HA   CYS   5           HA       CYS   5  -4.943   2.130   5.642
   47   1HB   CYS   5          2HB       CYS   5  -6.698   1.952   8.109
   48   2HB   CYS   5          3HB       CYS   5  -5.458   0.764   7.733
   49    QB   CYS   5           QB       CYS   5  -6.078   1.358   7.921
   50    H    LEU   6           HN       LEU   6  -8.411   1.723   5.199
   51    HA   LEU   6           HA       LEU   6  -8.025  -1.203   4.769
   52   1HB   LEU   6          2HB       LEU   6 -10.646   0.265   4.909
   53   2HB   LEU   6          3HB       LEU   6 -10.311  -1.458   5.026
   54    HG   LEU   6           HG       LEU   6  -8.834  -0.396   7.184
   55   1HD1  LEU   6          1HD1      LEU   6 -11.352   1.238   6.835
   56   2HD1  LEU   6          2HD1      LEU   6 -10.590   0.976   8.412
   57   3HD1  LEU   6          3HD1      LEU   6  -9.665   1.744   7.146
   58   1HD2  LEU   6          3HD2      LEU   6 -11.457  -1.845   6.949
   59   2HD2  LEU   6          1HD2      LEU   6  -9.933  -2.311   7.724
   60   3HD2  LEU   6          2HD2      LEU   6 -10.983  -1.180   8.526
   61    QB   LEU   6           QB       LEU   6 -10.479  -0.596   4.967
   62    QD1  LEU   6           QD1      LEU   6 -10.536   1.320   7.464
   63    QD2  LEU   6           QD2      LEU   6 -10.791  -1.779   7.733
   64    QQD  LEU   6           QQD      LEU   6 -10.663  -0.230   7.599
   65    H    GLU   7           HN       GLU   7  -7.441   1.387   2.882
   66    HA   GLU   7           HA       GLU   7  -9.060   0.933   0.594
   67   1HB   GLU   7          2HB       GLU   7  -6.596   2.418   1.225
   68   2HB   GLU   7          3HB       GLU   7  -6.543   1.728  -0.381
   69   1HG   GLU   7          2HG       GLU   7  -8.799   2.890  -0.775
   70   2HG   GLU   7          3HG       GLU   7  -8.519   3.720   0.760
   71    QB   GLU   7           QB       GLU   7  -6.570   2.073   0.422
   72    QG   GLU   7           QG       GLU   7  -8.659   3.305  -0.007
   73    HA   PRO   8           HA       PRO   8  -6.862  -2.633  -1.144
   74   1HB   PRO   8          2HB       PRO   8  -7.722  -2.609  -3.727
   75   2HB   PRO   8          3HB       PRO   8  -8.845  -2.885  -2.364
   76   1HG   PRO   8          2HG       PRO   8  -8.345  -0.323  -3.897
   77   2HG   PRO   8          3HG       PRO   8  -9.908  -1.029  -3.393
   78   1HD   PRO   8          2HD       PRO   8  -8.481   0.958  -2.014
   79   2HD   PRO   8          3HD       PRO   8  -9.714  -0.110  -1.276
   80    QB   PRO   8           QB       PRO   8  -8.283  -2.747  -3.046
   81    QG   PRO   8           QG       PRO   8  -9.127  -0.676  -3.645
   82    QD   PRO   8           QD       PRO   8  -9.097   0.424  -1.645
   83    HA   PRO   9           HA       PRO   9  -3.129  -1.035  -2.881
   84   1HB   PRO   9          2HB       PRO   9  -2.179  -3.184  -4.332
   85   2HB   PRO   9          3HB       PRO   9  -2.153  -3.068  -2.546
   86   1HG   PRO   9          2HG       PRO   9  -4.044  -4.536  -4.372
   87   2HG   PRO   9          3HG       PRO   9  -3.387  -5.065  -2.795
   88   1HD   PRO   9          2HD       PRO   9  -5.913  -4.004  -3.138
   89   2HD   PRO   9          3HD       PRO   9  -4.983  -3.830  -1.626
   90    QB   PRO   9           QB       PRO   9  -2.166  -3.126  -3.439
   91    QG   PRO   9           QG       PRO   9  -3.715  -4.800  -3.584
   92    QD   PRO   9           QD       PRO   9  -5.448  -3.917  -2.382
   93    H    TYR  10           HN       TYR  10  -3.808   0.628  -4.246
   94    HA   TYR  10           HA       TYR  10  -4.832   0.105  -6.903
   95   1HB   TYR  10          2HB       TYR  10  -5.401   1.992  -5.215
   96   2HB   TYR  10          3HB       TYR  10  -3.956   2.796  -5.805
   97    HD1  TYR  10           HD1      TYR  10  -7.140   1.172  -6.913
   98    HD2  TYR  10           HD2      TYR  10  -4.235   4.253  -7.690
   99    HE1  TYR  10           HE1      TYR  10  -8.634   2.131  -8.624
  100    HE2  TYR  10           HE2      TYR  10  -5.741   5.237  -9.401
  101    HH   TYR  10           HH       TYR  10  -9.033   3.923  -9.990
  102    QB   TYR  10           QB       TYR  10  -4.679   2.394  -5.510
  103    QR   TYR  10           QR       TYR  10  -6.437   3.198  -8.157
  104    H    THR  11           HN       THR  11  -3.268  -0.830  -8.265
  105    HA   THR  11           HA       THR  11  -0.558  -0.001  -8.417
  106    HB   THR  11           HB       THR  11  -2.374  -1.542 -10.277
  107    HG1  THR  11          1HG       THR  11  -1.165  -2.416  -8.388
  108   1HG2  THR  11          1HG2      THR  11  -0.803  -0.294 -11.846
  109   2HG2  THR  11          2HG2      THR  11   0.540  -1.033 -10.947
  110   3HG2  THR  11          3HG2      THR  11  -0.603  -2.051 -11.795
  111    QG2  THR  11           QG2      THR  11  -0.289  -1.126 -11.529
  112    H    GLY  12           HN       GLY  12  -3.415   1.186 -10.077
  113   1HA   GLY  12          1HA       GLY  12  -3.712   3.382 -10.858
  114   2HA   GLY  12          2HA       GLY  12  -1.957   3.614 -11.010
  115    QA   GLY  12           QA       GLY  12  -2.835   3.498 -10.934
  116    HA   PRO  13           HA       PRO  13  -3.841   2.004 -15.034
  117   1HB   PRO  13          2HB       PRO  13  -4.079   4.247 -16.562
  118   2HB   PRO  13          3HB       PRO  13  -5.309   3.737 -15.377
  119   1HG   PRO  13          2HG       PRO  13  -3.137   5.801 -14.981
  120   2HG   PRO  13          3HG       PRO  13  -4.879   5.945 -14.602
  121   1HD   PRO  13          2HD       PRO  13  -3.006   5.262 -12.708
  122   2HD   PRO  13          3HD       PRO  13  -4.669   4.604 -12.679
  123    QB   PRO  13           QB       PRO  13  -4.694   3.992 -15.970
  124    QG   PRO  13           QG       PRO  13  -4.008   5.873 -14.792
  125    QD   PRO  13           QD       PRO  13  -3.837   4.933 -12.694
  126    H    CYS  14           HN       CYS  14  -0.907   3.418 -13.915
  127    HA   CYS  14           HA       CYS  14   0.289   3.691 -16.561
  128   1HB   CYS  14          2HB       CYS  14   1.506   3.877 -13.802
  129   2HB   CYS  14          3HB       CYS  14   2.361   4.155 -15.323
  130    QB   CYS  14           QB       CYS  14   1.934   4.016 -14.563
  131    H    LYS  15           HN       LYS  15   1.791   2.403 -17.570
  132    HA   LYS  15           HA       LYS  15   1.758  -0.430 -16.770
  133   1HB   LYS  15          2HB       LYS  15   2.411   1.095 -19.286
  134   2HB   LYS  15          3HB       LYS  15   3.029  -0.535 -19.089
  135   1HG   LYS  15          2HG       LYS  15   0.178  -0.403 -18.369
  136   2HG   LYS  15          3HG       LYS  15   0.464   0.181 -20.003
  137   1HD   LYS  15          2HD       LYS  15   1.386  -1.830 -20.761
  138   2HD   LYS  15          3HD       LYS  15   1.769  -2.408 -19.132
  139   1HE   LYS  15          2HE       LYS  15  -0.586  -2.768 -18.610
  140   2HE   LYS  15          3HE       LYS  15  -1.085  -2.077 -20.161
  141   1HZ   LYS  15          2HZ       LYS  15   0.506  -4.548 -19.871
  142   2HZ   LYS  15          3HZ       LYS  15  -1.105  -4.481 -20.150
  143   3HZ   LYS  15          1HZ       LYS  15  -0.060  -3.910 -21.278
  144    QB   LYS  15           QB       LYS  15   2.720   0.280 -19.188
  145    QG   LYS  15           QG       LYS  15   0.321  -0.111 -19.186
  146    QD   LYS  15           QD       LYS  15   1.577  -2.119 -19.946
  147    QE   LYS  15           QE       LYS  15  -0.835  -2.423 -19.385
  148    QZ   LYS  15           QZ       LYS  15  -0.220  -4.313 -20.433
  149    H    ALA  16           HN       ALA  16   2.969   0.123 -14.831
  150    HA   ALA  16           HA       ALA  16   5.811  -0.550 -15.304
  151   1HB   ALA  16          2HB       ALA  16   4.799   1.724 -13.556
  152   2HB   ALA  16          3HB       ALA  16   6.432   1.022 -13.404
  153   3HB   ALA  16          1HB       ALA  16   5.929   1.822 -14.909
  154    QB   ALA  16           QB       ALA  16   5.720   1.523 -13.957
  155    H    ARG  17           HN       ARG  17   6.703  -1.235 -12.904
  156    HA   ARG  17           HA       ARG  17   4.647  -2.352 -11.206
  157   1HB   ARG  17          2HB       ARG  17   6.876  -4.164 -12.187
  158   2HB   ARG  17          3HB       ARG  17   5.596  -4.515 -11.139
  159   1HG   ARG  17          2HG       ARG  17   4.924  -5.604 -13.043
  160   2HG   ARG  17          3HG       ARG  17   4.002  -4.110 -13.176
  161   1HD   ARG  17          2HD       ARG  17   5.958  -3.253 -14.706
  162   2HD   ARG  17          3HD       ARG  17   6.705  -4.817 -14.465
  163    HE   ARG  17           HE       ARG  17   5.405  -5.701 -16.053
  164   1HH1  ARG  17          2HH2      ARG  17   3.584  -2.880 -14.818
  165   2HH1  ARG  17          1HH2      ARG  17   2.596  -2.743 -16.224
  166   1HH2  ARG  17          2HH1      ARG  17   4.115  -5.497 -17.912
  167   2HH2  ARG  17          1HH1      ARG  17   2.906  -4.260 -18.028
  168    QB   ARG  17           QB       ARG  17   6.236  -4.339 -11.663
  169    QG   ARG  17           QG       ARG  17   4.463  -4.857 -13.109
  170    QD   ARG  17           QD       ARG  17   6.331  -4.035 -14.585
  171    QH1  ARG  17           QH2      ARG  17   3.090  -2.812 -15.521
  172    QH2  ARG  17           QH1      ARG  17   3.510  -4.879 -17.970
  173    H    ILE  18           HN       ILE  18   5.425  -1.927  -9.168
  174    HA   ILE  18           HA       ILE  18   8.335  -1.837  -8.565
  175    HB   ILE  18           HB       ILE  18   6.233   0.274  -7.858
  176   1HG1  ILE  18          2HG1      ILE  18   8.638   0.489  -9.716
  177   2HG1  ILE  18          3HG1      ILE  18   6.941   0.474 -10.205
  178   1HG2  ILE  18          2HG2      ILE  18   7.963  -0.134  -6.072
  179   2HG2  ILE  18          3HG2      ILE  18   9.224   0.227  -7.265
  180   3HG2  ILE  18          1HG2      ILE  18   8.058   1.474  -6.773
  181   1HD1  ILE  18          2HD1      ILE  18   6.546   2.537  -8.851
  182   2HD1  ILE  18          3HD1      ILE  18   8.315   2.671  -8.646
  183   3HD1  ILE  18          1HD1      ILE  18   7.605   2.730 -10.264
  184    QG1  ILE  18           QG1      ILE  18   7.790   0.481  -9.961
  185    QG2  ILE  18           QG2      ILE  18   8.415   0.522  -6.703
  186    QD1  ILE  18           QD1      ILE  18   7.489   2.646  -9.254
  187    H    ILE  19           HN       ILE  19   8.546  -3.286  -6.841
  188    HA   ILE  19           HA       ILE  19   6.243  -4.242  -5.423
  189    HB   ILE  19           HB       ILE  19   9.190  -4.479  -4.749
  190   1HG1  ILE  19          2HG1      ILE  19   8.491  -5.486  -6.970
  191   2HG1  ILE  19          3HG1      ILE  19   9.206  -6.595  -5.810
  192   1HG2  ILE  19          2HG2      ILE  19   6.759  -5.931  -3.608
  193   2HG2  ILE  19          3HG2      ILE  19   8.438  -6.466  -3.384
  194   3HG2  ILE  19          1HG2      ILE  19   7.911  -4.909  -2.734
  195   1HD1  ILE  19          2HD1      ILE  19   6.196  -6.347  -6.204
  196   2HD1  ILE  19          3HD1      ILE  19   7.232  -7.508  -7.052
  197   3HD1  ILE  19          1HD1      ILE  19   7.074  -7.592  -5.293
  198    QG1  ILE  19           QG1      ILE  19   8.849  -6.041  -6.390
  199    QG2  ILE  19           QG2      ILE  19   7.703  -5.769  -3.242
  200    QD1  ILE  19           QD1      ILE  19   6.834  -7.149  -6.183
  201    H    ARG  20           HN       ARG  20   5.167  -3.270  -3.831
  202    HA   ARG  20           HA       ARG  20   6.436  -1.317  -1.999
  203   1HB   ARG  20          2HB       ARG  20   3.853  -0.970  -3.625
  204   2HB   ARG  20          3HB       ARG  20   4.268   0.038  -2.237
  205   1HG   ARG  20          2HG       ARG  20   5.835  -0.128  -4.837
  206   2HG   ARG  20          3HG       ARG  20   4.765   1.185  -4.313
  207   1HD   ARG  20          2HD       ARG  20   6.244   1.535  -2.306
  208   2HD   ARG  20          3HD       ARG  20   7.333   0.289  -2.981
  209    HE   ARG  20           HE       ARG  20   6.740   2.494  -4.786
  210   1HH1  ARG  20          2HH2      ARG  20   8.935   1.244  -2.310
  211   2HH1  ARG  20          1HH2      ARG  20  10.347   2.045  -2.914
  212   1HH2  ARG  20          2HH1      ARG  20   8.603   3.601  -5.606
  213   2HH2  ARG  20          1HH1      ARG  20  10.138   3.450  -4.819
  214    QB   ARG  20           QB       ARG  20   4.061  -0.466  -2.931
  215    QG   ARG  20           QG       ARG  20   5.300   0.528  -4.575
  216    QD   ARG  20           QD       ARG  20   6.788   0.912  -2.644
  217    QH1  ARG  20           QH2      ARG  20   9.641   1.644  -2.612
  218    QH2  ARG  20           QH1      ARG  20   9.371   3.525  -5.213
  219    H    TYR  21           HN       TYR  21   4.532  -0.784  -0.272
  220    HA   TYR  21           HA       TYR  21   3.387  -3.401   0.435
  221   1HB   TYR  21          2HB       TYR  21   4.533  -1.525   2.490
  222   2HB   TYR  21          3HB       TYR  21   4.044  -3.161   2.739
  223    HD1  TYR  21           HD1      TYR  21   6.639  -1.330   0.644
  224    HD2  TYR  21           HD2      TYR  21   5.777  -4.637   3.260
  225    HE1  TYR  21           HE1      TYR  21   8.755  -2.382  -0.017
  226    HE2  TYR  21           HE2      TYR  21   8.031  -5.558   2.800
  227    HH   TYR  21           HH       TYR  21  10.193  -4.166   0.311
  228    QB   TYR  21           QB       TYR  21   4.289  -2.343   2.615
  229    QR   TYR  21           QR       TYR  21   7.301  -3.477   1.672
  230    H    PHE  22           HN       PHE  22   1.779  -3.111   2.303
  231    HA   PHE  22           HA       PHE  22   0.400  -0.570   2.437
  232   1HB   PHE  22          2HB       PHE  22  -1.569  -0.988   1.387
  233   2HB   PHE  22          3HB       PHE  22  -0.371  -1.240   0.184
  234    HD1  PHE  22          2HD       PHE  22   0.418  -4.098   0.496
  235    HD2  PHE  22          1HD       PHE  22  -3.461  -2.237   0.797
  236    HE1  PHE  22          2HE       PHE  22  -0.687  -6.279   0.153
  237    HE2  PHE  22          1HE       PHE  22  -4.545  -4.411   0.622
  238    HZ   PHE  22           HZ       PHE  22  -3.169  -6.439   0.222
  239    QB   PHE  22           QB       PHE  22  -0.970  -1.114   0.786
  240    QR   PHE  22           QR       PHE  22  -2.068  -4.256   0.517
  241    H    TYR  23           HN       TYR  23  -1.345  -0.635   3.976
  242    HA   TYR  23           HA       TYR  23  -1.173  -2.824   5.953
  243   1HB   TYR  23          2HB       TYR  23  -1.447  -0.397   6.653
  244   2HB   TYR  23          3HB       TYR  23  -3.030  -0.419   5.899
  245    HD1  TYR  23           HD2      TYR  23  -4.835  -1.924   6.826
  246    HD2  TYR  23           HD1      TYR  23  -1.052  -1.430   8.826
  247    HE1  TYR  23           HE2      TYR  23  -5.846  -2.716   8.924
  248    HE2  TYR  23           HE1      TYR  23  -2.068  -2.234  10.943
  249    HH   TYR  23           HH       TYR  23  -4.159  -3.327  11.908
  250    QB   TYR  23           QB       TYR  23  -2.239  -0.408   6.276
  251    QR   TYR  23           QR       TYR  23  -3.450  -2.076   8.880
  252    H    ASN  24           HN       ASN  24  -2.339  -4.642   5.493
  253    HA   ASN  24           HA       ASN  24  -4.638  -4.402   3.567
  254   1HB   ASN  24          2HB       ASN  24  -2.918  -5.945   2.945
  255   2HB   ASN  24          3HB       ASN  24  -3.023  -6.792   4.499
  256   1HD2  ASN  24          2HD2      ASN  24  -4.988  -8.927   2.324
  257   2HD2  ASN  24          1HD2      ASN  24  -3.381  -8.632   2.994
  258    QB   ASN  24           QB       ASN  24  -2.970  -6.368   3.722
  259    QD2  ASN  24           QD2      ASN  24  -4.184  -8.779   2.659
  260    H    ALA  25           HN       ALA  25  -6.236  -3.647   5.113
  261    HA   ALA  25           HA       ALA  25  -6.822  -4.868   7.557
  262   1HB   ALA  25          2HB       ALA  25  -8.658  -3.743   5.402
  263   2HB   ALA  25          3HB       ALA  25  -9.133  -4.149   7.065
  264   3HB   ALA  25          1HB       ALA  25  -7.922  -2.863   6.768
  265    QB   ALA  25           QB       ALA  25  -8.571  -3.585   6.411
  266    H    LYS  26           HN       LYS  26  -6.935  -6.433   4.378
  267    HA   LYS  26           HA       LYS  26  -9.181  -8.162   5.190
  268   1HB   LYS  26          2HB       LYS  26  -8.739  -7.327   2.869
  269   2HB   LYS  26          3HB       LYS  26  -7.389  -8.450   2.758
  270   1HG   LYS  26          2HG       LYS  26 -10.150  -9.466   3.534
  271   2HG   LYS  26          3HG       LYS  26  -9.813  -8.987   1.874
  272   1HD   LYS  26          2HD       LYS  26  -7.634 -10.594   2.323
  273   2HD   LYS  26          3HD       LYS  26  -8.817 -11.356   3.397
  274   1HE   LYS  26          2HE       LYS  26 -10.431 -11.483   1.466
  275   2HE   LYS  26          3HE       LYS  26  -9.216 -10.722   0.422
  276   1HZ   LYS  26          3HZ       LYS  26  -7.786 -12.613   0.809
  277   2HZ   LYS  26          1HZ       LYS  26  -8.939 -13.339   1.736
  278   3HZ   LYS  26          2HZ       LYS  26  -9.214 -13.065   0.139
  279    QB   LYS  26           QB       LYS  26  -8.064  -7.888   2.814
  280    QG   LYS  26           QG       LYS  26  -9.981  -9.227   2.704
  281    QD   LYS  26           QD       LYS  26  -8.226 -10.975   2.860
  282    QE   LYS  26           QE       LYS  26  -9.823 -11.102   0.944
  283    QZ   LYS  26           QZ       LYS  26  -8.646 -13.006   0.894
  284    H    ALA  27           HN       ALA  27  -5.782  -8.024   5.709
  285    HA   ALA  27           HA       ALA  27  -5.693 -10.904   6.551
  286   1HB   ALA  27          2HB       ALA  27  -4.120 -10.334   4.746
  287   2HB   ALA  27          3HB       ALA  27  -3.445  -9.028   5.743
  288   3HB   ALA  27          1HB       ALA  27  -3.276 -10.724   6.255
  289    QB   ALA  27           QB       ALA  27  -3.614 -10.029   5.581
  290    H    GLY  28           HN       GLY  28  -4.799  -7.556   7.364
  291   1HA   GLY  28          1HA       GLY  28  -5.135  -6.539   9.431
  292   2HA   GLY  28          2HA       GLY  28  -5.086  -8.098  10.257
  293    QA   GLY  28           QA       GLY  28  -5.111  -7.318   9.844
  294    H    LEU  29           HN       LEU  29  -2.750  -6.689   7.869
  295    HA   LEU  29           HA       LEU  29  -0.901  -5.748   9.738
  296   1HB   LEU  29          2HB       LEU  29   0.934  -7.347   9.556
  297   2HB   LEU  29          3HB       LEU  29  -0.425  -7.988  10.417
  298    HG   LEU  29           HG       LEU  29   0.573  -9.699   9.165
  299   1HD1  LEU  29          3HD1      LEU  29  -1.930  -9.767   9.263
  300   2HD1  LEU  29          1HD1      LEU  29  -1.956  -9.092   7.616
  301   3HD1  LEU  29          2HD1      LEU  29  -1.211 -10.658   7.919
  302   1HD2  LEU  29          2HD2      LEU  29   1.678  -8.342   7.431
  303   2HD2  LEU  29          3HD2      LEU  29   0.834  -9.752   6.766
  304   3HD2  LEU  29          1HD2      LEU  29   0.099  -8.142   6.616
  305    QB   LEU  29           QB       LEU  29   0.255  -7.668   9.986
  306    QD1  LEU  29           QD1      LEU  29  -1.699  -9.839   8.266
  307    QD2  LEU  29           QD2      LEU  29   0.870  -8.745   6.938
  308    QQD  LEU  29           QQD      LEU  29  -0.414  -9.292   7.602
  309    H    CYS  30           HN       CYS  30   1.486  -5.738   8.378
  310    HA   CYS  30           HA       CYS  30   0.715  -4.170   5.977
  311   1HB   CYS  30          2HB       CYS  30   3.212  -4.328   7.662
  312   2HB   CYS  30          3HB       CYS  30   3.046  -3.336   6.210
  313    QB   CYS  30           QB       CYS  30   3.129  -3.832   6.936
  314    H    GLN  31           HN       GLN  31   1.035  -5.010   3.981
  315    HA   GLN  31           HA       GLN  31   2.777  -7.441   3.635
  316   1HB   GLN  31          2HB       GLN  31  -0.103  -6.929   2.967
  317   2HB   GLN  31          3HB       GLN  31   0.816  -7.828   1.781
  318   1HG   GLN  31          2HG       GLN  31   1.365  -9.589   3.238
  319   2HG   GLN  31          3HG       GLN  31   0.856  -8.683   4.658
  320   1HE2  GLN  31          2HE2      GLN  31  -1.849 -11.103   3.090
  321   2HE2  GLN  31          1HE2      GLN  31  -0.117 -11.297   2.939
  322    QB   GLN  31           QB       GLN  31   0.356  -7.379   2.374
  323    QG   GLN  31           QG       GLN  31   1.111  -9.136   3.948
  324    QE2  GLN  31           QE2      GLN  31  -0.983 -11.200   3.015
  325    H    THR  32           HN       THR  32   3.169  -7.836   1.314
  326    HA   THR  32           HA       THR  32   4.162  -5.378   0.056
  327    HB   THR  32           HB       THR  32   5.381  -7.094  -1.366
  328    HG1  THR  32          1HG       THR  32   3.922  -8.854  -0.926
  329   1HG2  THR  32          1HG2      THR  32   5.742  -7.109   1.663
  330   2HG2  THR  32          2HG2      THR  32   6.882  -7.850   0.523
  331   3HG2  THR  32          3HG2      THR  32   6.566  -6.109   0.441
  332    QG2  THR  32           QG2      THR  32   6.396  -7.023   0.876
  333    H    PHE  33           HN       PHE  33   3.754  -5.065  -2.326
  334    HA   PHE  33           HA       PHE  33   2.017  -6.850  -3.767
  335   1HB   PHE  33          2HB       PHE  33   0.142  -5.500  -4.075
  336   2HB   PHE  33          3HB       PHE  33   0.407  -5.401  -2.351
  337    HD1  PHE  33          2HD       PHE  33   1.794  -3.272  -1.505
  338    HD2  PHE  33          1HD       PHE  33  -0.123  -3.572  -5.344
  339    HE1  PHE  33          2HE       PHE  33   1.676  -0.782  -1.673
  340    HE2  PHE  33          1HE       PHE  33  -0.282  -1.116  -5.475
  341    HZ   PHE  33           HZ       PHE  33   0.555   0.286  -3.592
  342    QB   PHE  33           QB       PHE  33   0.275  -5.450  -3.213
  343    QR   PHE  33           QR       PHE  33   0.766  -2.186  -3.499
  344    H    VAL  34           HN       VAL  34   1.674  -5.850  -6.090
  345    HA   VAL  34           HA       VAL  34   4.120  -4.337  -6.887
  346    HB   VAL  34           HB       VAL  34   2.006  -5.753  -8.564
  347   1HG1  VAL  34          1HG1      VAL  34   4.486  -4.132  -9.310
  348   2HG1  VAL  34          2HG1      VAL  34   3.629  -5.204 -10.444
  349   3HG1  VAL  34          3HG1      VAL  34   2.829  -3.776  -9.804
  350   1HG2  VAL  34          3HG2      VAL  34   3.644  -7.264  -7.373
  351   2HG2  VAL  34          1HG2      VAL  34   3.809  -7.296  -9.135
  352   3HG2  VAL  34          2HG2      VAL  34   4.965  -6.372  -8.161
  353    QG1  VAL  34           QG1      VAL  34   3.648  -4.371  -9.852
  354    QG2  VAL  34           QG2      VAL  34   4.139  -6.977  -8.223
  355    QQG  VAL  34           QQG      VAL  34   3.894  -5.674  -9.038
  356    H    TYR  35           HN       TYR  35   3.945  -2.202  -7.193
  357    HA   TYR  35           HA       TYR  35   1.284  -0.918  -7.668
  358   1HB   TYR  35          2HB       TYR  35   2.372  -0.222  -5.552
  359   2HB   TYR  35          3HB       TYR  35   3.918  -0.076  -6.366
  360    HD1  TYR  35           HD1      TYR  35   0.445   1.358  -6.567
  361    HD2  TYR  35           HD2      TYR  35   4.690   2.058  -6.832
  362    HE1  TYR  35           HE1      TYR  35   0.036   3.778  -7.083
  363    HE2  TYR  35           HE2      TYR  35   4.240   4.487  -7.163
  364    HH   TYR  35           HH       TYR  35   2.729   6.006  -7.815
  365    QB   TYR  35           QB       TYR  35   3.145  -0.149  -5.959
  366    QR   TYR  35           QR       TYR  35   2.353   2.920  -6.911
  367    H    GLY  36           HN       GLY  36   1.220   0.630  -9.387
  368   1HA   GLY  36          1HA       GLY  36   2.852  -0.026 -11.625
  369   2HA   GLY  36          2HA       GLY  36   1.692   1.302 -11.530
  370    QA   GLY  36           QA       GLY  36   2.272   0.638 -11.577
  371    H    GLY  37           HN       GLY  37   2.385   3.294 -10.450
  372   1HA   GLY  37          1HA       GLY  37   4.765   4.125  -9.447
  373   2HA   GLY  37          2HA       GLY  37   5.192   3.938 -11.147
  374    QA   GLY  37           QA       GLY  37   4.979   4.032 -10.297
  375    H    CYS  38           HN       CYS  38   1.993   5.122  -9.912
  376    HA   CYS  38           HA       CYS  38   2.549   7.859 -10.375
  377   1HB   CYS  38          2HB       CYS  38   1.456   8.265 -12.442
  378   2HB   CYS  38          3HB       CYS  38   2.549   6.932 -12.768
  379    QB   CYS  38           QB       CYS  38   2.003   7.598 -12.605
  380    H    ARG  39           HN       ARG  39   0.840   9.059  -9.534
  381    HA   ARG  39           HA       ARG  39  -0.997   9.512  -8.282
  382   1HB   ARG  39          2HB       ARG  39  -2.257   7.326  -9.984
  383   2HB   ARG  39          3HB       ARG  39  -3.154   8.483  -9.016
  384   1HG   ARG  39          2HG       ARG  39  -1.171   9.555 -11.043
  385   2HG   ARG  39          3HG       ARG  39  -2.671   8.853 -11.624
  386   1HD   ARG  39          2HD       ARG  39  -2.951  10.797  -9.355
  387   2HD   ARG  39          3HD       ARG  39  -2.372  11.494 -10.847
  388    HE   ARG  39           HE       ARG  39  -5.033  10.429 -10.281
  389   1HH1  ARG  39          2HH2      ARG  39  -2.746  11.171 -12.857
  390   2HH1  ARG  39          1HH2      ARG  39  -3.940  11.371 -14.099
  391   1HH2  ARG  39          2HH1      ARG  39  -6.664  10.599 -11.934
  392   2HH2  ARG  39          1HH1      ARG  39  -6.217  10.999 -13.556
  393    QB   ARG  39           QB       ARG  39  -2.705   7.905  -9.500
  394    QG   ARG  39           QG       ARG  39  -1.921   9.204 -11.333
  395    QD   ARG  39           QD       ARG  39  -2.661  11.146 -10.101
  396    QH1  ARG  39           QH2      ARG  39  -3.343  11.271 -13.478
  397    QH2  ARG  39           QH1      ARG  39  -6.441  10.799 -12.745
  398    H    ALA  40           HN       ALA  40   0.847   7.960  -6.996
  399    HA   ALA  40           HA       ALA  40   0.026   5.604  -5.769
  400   1HB   ALA  40          3HB       ALA  40   1.761   7.853  -4.767
  401   2HB   ALA  40          1HB       ALA  40   1.461   6.361  -3.839
  402   3HB   ALA  40          2HB       ALA  40   2.249   6.273  -5.413
  403    QB   ALA  40           QB       ALA  40   1.823   6.829  -4.673
  404    H    LYS  41           HN       LYS  41  -1.599   5.112  -4.380
  405    HA   LYS  41           HA       LYS  41  -3.156   7.262  -3.080
  406   1HB   LYS  41          2HB       LYS  41  -3.502   4.223  -3.199
  407   2HB   LYS  41          3HB       LYS  41  -4.599   5.320  -2.358
  408   1HG   LYS  41          2HG       LYS  41  -4.074   5.267  -5.353
  409   2HG   LYS  41          3HG       LYS  41  -5.539   4.786  -4.467
  410   1HD   LYS  41          2HD       LYS  41  -5.410   7.281  -3.533
  411   2HD   LYS  41          3HD       LYS  41  -4.416   7.551  -4.995
  412   1HE   LYS  41          2HE       LYS  41  -6.315   6.563  -6.335
  413   2HE   LYS  41          3HE       LYS  41  -7.249   6.431  -4.823
  414   1HZ   LYS  41          1HZ       LYS  41  -7.107   8.816  -4.598
  415   2HZ   LYS  41          2HZ       LYS  41  -6.274   8.946  -6.014
  416   3HZ   LYS  41          3HZ       LYS  41  -7.832   8.413  -6.017
  417    QB   LYS  41           QB       LYS  41  -4.050   4.772  -2.779
  418    QG   LYS  41           QG       LYS  41  -4.806   5.027  -4.910
  419    QD   LYS  41           QD       LYS  41  -4.913   7.416  -4.264
  420    QE   LYS  41           QE       LYS  41  -6.782   6.497  -5.579
  421    QZ   LYS  41           QZ       LYS  41  -7.071   8.725  -5.543
  422    H    ARG  42           HN       ARG  42  -3.901   6.645  -0.808
  423    HA   ARG  42           HA       ARG  42  -1.507   7.156   0.735
  424   1HB   ARG  42          2HB       ARG  42  -4.251   6.601   1.907
  425   2HB   ARG  42          3HB       ARG  42  -2.882   7.498   2.577
  426   1HG   ARG  42          2HG       ARG  42  -3.226   9.122   0.561
  427   2HG   ARG  42          3HG       ARG  42  -4.738   8.243   0.276
  428   1HD   ARG  42          2HD       ARG  42  -5.416  10.061   1.539
  429   2HD   ARG  42          3HD       ARG  42  -5.365   8.773   2.728
  430    HE   ARG  42           HE       ARG  42  -3.556  11.099   2.351
  431   1HH1  ARG  42          2HH2      ARG  42  -4.118   8.165   4.255
  432   2HH1  ARG  42          1HH2      ARG  42  -3.060   8.608   5.534
  433   1HH2  ARG  42          2HH1      ARG  42  -2.202  11.756   4.103
  434   2HH2  ARG  42          1HH1      ARG  42  -1.946  10.692   5.446
  435    QB   ARG  42           QB       ARG  42  -3.567   7.050   2.242
  436    QG   ARG  42           QG       ARG  42  -3.982   8.682   0.419
  437    QD   ARG  42           QD       ARG  42  -5.390   9.417   2.134
  438    QH1  ARG  42           QH2      ARG  42  -3.589   8.387   4.894
  439    QH2  ARG  42           QH1      ARG  42  -2.074  11.224   4.775
  440    H    ASN  43           HN       ASN  43  -3.645   4.385   0.314
  441    HA   ASN  43           HA       ASN  43  -2.306   2.630   2.219
  442   1HB   ASN  43          2HB       ASN  43  -4.571   2.353   1.771
  443   2HB   ASN  43          3HB       ASN  43  -4.359   2.338   0.021
  444   1HD2  ASN  43          2HD2      ASN  43  -3.913  -1.055   2.311
  445   2HD2  ASN  43          1HD2      ASN  43  -3.601   0.534   2.902
  446    QB   ASN  43           QB       ASN  43  -4.465   2.345   0.896
  447    QD2  ASN  43           QD2      ASN  43  -3.757  -0.261   2.606
  448    H    ASN  44           HN       ASN  44  -0.182   3.568   1.186
  449    HA   ASN  44           HA       ASN  44   1.024   1.383  -0.312
  450   1HB   ASN  44          2HB       ASN  44   0.065   2.711  -2.150
  451   2HB   ASN  44          3HB       ASN  44   0.910   4.152  -1.558
  452   1HD2  ASN  44          2HD2      ASN  44   2.870   2.581  -4.351
  453   2HD2  ASN  44          1HD2      ASN  44   1.225   3.160  -4.191
  454    QB   ASN  44           QB       ASN  44   0.488   3.432  -1.854
  455    QD2  ASN  44           QD2      ASN  44   2.047   2.870  -4.271
  456    H    PHE  45           HN       PHE  45   2.785   1.092   0.999
  457    HA   PHE  45           HA       PHE  45   4.327   3.458   1.941
  458   1HB   PHE  45          2HB       PHE  45   3.949   0.830   3.394
  459   2HB   PHE  45          3HB       PHE  45   4.716   2.288   3.996
  460    HD1  PHE  45          2HD       PHE  45   3.285   4.406   4.362
  461    HD2  PHE  45          1HD       PHE  45   1.643   0.487   3.748
  462    HE1  PHE  45          2HE       PHE  45   1.135   5.165   5.299
  463    HE2  PHE  45          1HE       PHE  45  -0.525   1.238   4.726
  464    HZ   PHE  45           HZ       PHE  45  -0.775   3.573   5.511
  465    QB   PHE  45           QB       PHE  45   4.333   1.559   3.695
  466    QR   PHE  45           QR       PHE  45   1.385   2.824   4.534
  467    H    LYS  46           HN       LYS  46   6.566   2.777   2.533
  468    HA   LYS  46           HA       LYS  46   7.693   1.229   0.262
  469   1HB   LYS  46          2HB       LYS  46   9.059   3.199   2.150
  470   2HB   LYS  46          3HB       LYS  46   9.669   2.521   0.623
  471   1HG   LYS  46          2HG       LYS  46   7.353   3.422  -0.290
  472   2HG   LYS  46          3HG       LYS  46   7.424   4.513   1.092
  473   1HD   LYS  46          2HD       LYS  46   9.473   5.504   0.393
  474   2HD   LYS  46          3HD       LYS  46   9.740   4.306  -0.886
  475   1HE   LYS  46          2HE       LYS  46   8.053   5.156  -2.279
  476   2HE   LYS  46          3HE       LYS  46   7.181   5.928  -0.952
  477   1HZ   LYS  46          3HZ       LYS  46   9.761   6.888  -1.997
  478   2HZ   LYS  46          1HZ       LYS  46   8.281   7.519  -2.353
  479   3HZ   LYS  46          2HZ       LYS  46   8.851   7.587  -0.816
  480    QB   LYS  46           QB       LYS  46   9.364   2.860   1.387
  481    QG   LYS  46           QG       LYS  46   7.389   3.968   0.401
  482    QD   LYS  46           QD       LYS  46   9.607   4.905  -0.247
  483    QE   LYS  46           QE       LYS  46   7.617   5.542  -1.615
  484    QZ   LYS  46           QZ       LYS  46   8.964   7.331  -1.722
  485    H    SER  47           HN       SER  47   7.155   0.998   3.602
  486    HA   SER  47           HA       SER  47   8.312  -1.664   3.540
  487   1HB   SER  47          2HB       SER  47   9.842  -1.469   5.360
  488   2HB   SER  47          3HB       SER  47  10.251  -0.133   4.280
  489    HG   SER  47           HG       SER  47   9.188   1.286   5.639
  490    QB   SER  47           QB       SER  47  10.046  -0.801   4.820
  491    H    ALA  48           HN       ALA  48   7.786  -2.839   5.614
  492    HA   ALA  48           HA       ALA  48   5.119  -2.300   6.494
  493   1HB   ALA  48          1HB       ALA  48   7.235  -4.137   7.677
  494   2HB   ALA  48          2HB       ALA  48   5.526  -4.094   8.150
  495   3HB   ALA  48          3HB       ALA  48   5.967  -4.583   6.505
  496    QB   ALA  48           QB       ALA  48   6.243  -4.272   7.444
  497    H    GLU  49           HN       GLU  49   8.295  -1.221   7.572
  498    HA   GLU  49           HA       GLU  49   7.620  -0.506  10.245
  499   1HB   GLU  49          2HB       GLU  49   9.923  -0.760   9.367
  500   2HB   GLU  49          3HB       GLU  49   9.724   0.686   8.369
  501   1HG   GLU  49          2HG       GLU  49   9.473   2.090  10.328
  502   2HG   GLU  49          3HG       GLU  49   9.461   0.669  11.385
  503    QB   GLU  49           QB       GLU  49   9.824  -0.037   8.868
  504    QG   GLU  49           QG       GLU  49   9.467   1.379  10.857
  505    H    ASP  50           HN       ASP  50   7.760   1.362   7.204
  506    HA   ASP  50           HA       ASP  50   6.708   3.825   8.168
  507   1HB   ASP  50          2HB       ASP  50   6.391   2.534   5.420
  508   2HB   ASP  50          3HB       ASP  50   5.988   4.217   5.808
  509    QB   ASP  50           QB       ASP  50   6.189   3.375   5.614
  510    H    CYS  51           HN       CYS  51   5.062   1.145   6.520
  511    HA   CYS  51           HA       CYS  51   2.408   1.947   6.640
  512   1HB   CYS  51          2HB       CYS  51   3.176  -0.011   5.415
  513   2HB   CYS  51          3HB       CYS  51   3.676  -0.779   6.903
  514    QB   CYS  51           QB       CYS  51   3.426  -0.395   6.159
  515    H    MET  52           HN       MET  52   4.045  -0.023   9.177
  516    HA   MET  52           HA       MET  52   1.845   0.113  11.010
  517   1HB   MET  52          2HB       MET  52   4.752  -0.627  11.196
  518   2HB   MET  52          3HB       MET  52   3.967  -0.116  12.680
  519   1HG   MET  52          2HG       MET  52   2.215  -1.995  11.322
  520   2HG   MET  52          3HG       MET  52   3.826  -2.678  11.502
  521   1HE   MET  52          3HE       MET  52   2.446  -4.591  12.919
  522   2HE   MET  52          1HE       MET  52   1.605  -4.224  14.444
  523   3HE   MET  52          2HE       MET  52   0.924  -3.659  12.905
  524    QB   MET  52           QB       MET  52   4.359  -0.371  11.938
  525    QG   MET  52           QG       MET  52   3.020  -2.336  11.412
  526    QE   MET  52           QE       MET  52   1.658  -4.158  13.422
  527    H    ARG  53           HN       ARG  53   4.758   2.256  10.673
  528    HA   ARG  53           HA       ARG  53   4.106   3.816  12.908
  529   1HB   ARG  53          2HB       ARG  53   6.250   3.907  11.586
  530   2HB   ARG  53          3HB       ARG  53   5.412   4.901  10.389
  531   1HG   ARG  53          2HG       ARG  53   4.845   5.986  13.028
  532   2HG   ARG  53          3HG       ARG  53   6.563   5.641  12.971
  533   1HD   ARG  53          2HD       ARG  53   5.150   7.151  10.726
  534   2HD   ARG  53          3HD       ARG  53   5.634   7.993  12.177
  535    HE   ARG  53           HE       ARG  53   7.349   6.995  10.031
  536   1HH1  ARG  53          2HH2      ARG  53   7.277   7.809  13.449
  537   2HH1  ARG  53          1HH2      ARG  53   8.943   8.284  13.565
  538   1HH2  ARG  53          2HH1      ARG  53   9.602   7.565  10.131
  539   2HH2  ARG  53          1HH1      ARG  53  10.303   8.114  11.618
  540    QB   ARG  53           QB       ARG  53   5.831   4.404  10.987
  541    QG   ARG  53           QG       ARG  53   5.704   5.813  12.999
  542    QD   ARG  53           QD       ARG  53   5.392   7.572  11.452
  543    QH1  ARG  53           QH2      ARG  53   8.110   8.047  13.507
  544    QH2  ARG  53           QH1      ARG  53   9.952   7.839  10.874
  545    H    THR  54           HN       THR  54   2.839   4.072   9.558
  546    HA   THR  54           HA       THR  54   1.144   6.337  10.127
  547    HB   THR  54           HB       THR  54   0.756   4.130   8.066
  548    HG1  THR  54          1HG       THR  54   2.334   6.460   8.164
  549   1HG2  THR  54          1HG2      THR  54  -1.232   5.671   8.493
  550   2HG2  THR  54          2HG2      THR  54  -0.189   7.031   8.022
  551   3HG2  THR  54          3HG2      THR  54  -0.567   5.750   6.858
  552    QG2  THR  54           QG2      THR  54  -0.663   6.150   7.791
  553    H    CYS  55           HN       CYS  55   0.354   2.785   9.985
  554    HA   CYS  55           HA       CYS  55  -2.311   3.501  11.095
  555   1HB   CYS  55          2HB       CYS  55  -1.808   1.981   8.967
  556   2HB   CYS  55          3HB       CYS  55  -1.703   0.719  10.190
  557    QB   CYS  55           QB       CYS  55  -1.755   1.350   9.578
  558    H    GLY  56           HN       GLY  56   0.020   0.881  11.576
  559   1HA   GLY  56          1HA       GLY  56   0.378  -0.587  13.334
  560   2HA   GLY  56          2HA       GLY  56   0.835   0.967  14.039
  561    QA   GLY  56           QA       GLY  56   0.606   0.190  13.686
  562    H    GLY  57           HN       GLY  57  -2.326  -0.584  13.375
  563   1HA   GLY  57          1HA       GLY  57  -3.096  -0.284  16.265
  564   2HA   GLY  57          2HA       GLY  57  -4.086   0.356  14.944
  565    QA   GLY  57           QA       GLY  57  -3.591   0.036  15.605
  566    H    ALA  58           HN       ALA  58  -2.511  -2.545  16.150
  567    HA   ALA  58           HA       ALA  58  -2.913  -4.719  16.187
  568   1HB   ALA  58          3HB       ALA  58  -5.143  -4.205  17.069
  569   2HB   ALA  58          1HB       ALA  58  -5.799  -4.146  15.418
  570   3HB   ALA  58          2HB       ALA  58  -5.129  -5.658  16.062
  571    QB   ALA  58           QB       ALA  58  -5.357  -4.669  16.183
   
  No H/Q in entry =         571
  Start of MODEL   11
    1    H    ARG   1           HN       ARG   1  -5.392   5.653  14.037
    2    HA   ARG   1           HA       ARG   1  -5.025   4.758  11.898
    3   1HB   ARG   1          2HB       ARG   1  -6.128   3.301  13.745
    4   2HB   ARG   1          3HB       ARG   1  -7.571   3.314  12.727
    5   1HG   ARG   1          2HG       ARG   1  -4.881   2.584  11.575
    6   2HG   ARG   1          3HG       ARG   1  -5.689   1.436  12.613
    7   1HD   ARG   1          2HD       ARG   1  -7.103   2.582  10.146
    8   2HD   ARG   1          3HD       ARG   1  -6.062   1.193  10.038
    9    HE   ARG   1           HE       ARG   1  -8.732   1.274  10.908
   10   1HH1  ARG   1          2HH2      ARG   1  -5.680  -0.321  11.404
   11   2HH1  ARG   1          1HH2      ARG   1  -6.264  -1.874  11.856
   12   1HH2  ARG   1          2HH1      ARG   1  -9.701  -0.704  11.736
   13   2HH2  ARG   1          1HH1      ARG   1  -8.691  -2.049  12.161
   14    QB   ARG   1           QB       ARG   1  -6.849   3.307  13.236
   15    QG   ARG   1           QG       ARG   1  -5.285   2.010  12.094
   16    QD   ARG   1           QD       ARG   1  -6.582   1.888  10.092
   17    QH1  ARG   1           QH2      ARG   1  -5.972  -1.098  11.630
   18    QH2  ARG   1           QH1      ARG   1  -9.196  -1.376  11.948
   19    HA   PRO   2           HA       PRO   2  -7.978   6.834   9.164
   20   1HB   PRO   2          2HB       PRO   2  -6.674   6.429   6.762
   21   2HB   PRO   2          3HB       PRO   2  -6.252   7.687   7.942
   22   1HG   PRO   2          2HG       PRO   2  -4.809   5.131   7.345
   23   2HG   PRO   2          3HG       PRO   2  -4.188   6.641   8.058
   24   1HD   PRO   2          2HD       PRO   2  -4.828   4.296   9.479
   25   2HD   PRO   2          3HD       PRO   2  -4.475   5.923  10.127
   26    QB   PRO   2           QB       PRO   2  -6.463   7.058   7.352
   27    QG   PRO   2           QG       PRO   2  -4.499   5.886   7.701
   28    QD   PRO   2           QD       PRO   2  -4.652   5.110   9.803
   29    H    ASP   3           HN       ASP   3  -9.356   6.400   7.251
   30    HA   ASP   3           HA       ASP   3 -10.373   3.724   7.124
   31   1HB   ASP   3          2HB       ASP   3 -11.698   5.857   6.760
   32   2HB   ASP   3          3HB       ASP   3 -10.849   6.063   5.213
   33    QB   ASP   3           QB       ASP   3 -11.273   5.960   5.986
   34    H    PHE   4           HN       PHE   4  -8.182   5.682   5.121
   35    HA   PHE   4           HA       PHE   4  -8.141   3.935   2.911
   36   1HB   PHE   4          2HB       PHE   4  -6.210   5.006   2.131
   37   2HB   PHE   4          3HB       PHE   4  -7.181   6.242   2.901
   38    HD1  PHE   4          1HD       PHE   4  -4.256   3.924   3.386
   39    HD2  PHE   4          2HD       PHE   4  -6.118   7.609   4.616
   40    HE1  PHE   4          1HE       PHE   4  -2.328   4.400   4.795
   41    HE2  PHE   4          2HE       PHE   4  -4.190   8.014   6.135
   42    HZ   PHE   4           HZ       PHE   4  -2.344   6.397   6.271
   43    QB   PHE   4           QB       PHE   4  -6.696   5.624   2.516
   44    QR   PHE   4           QR       PHE   4  -4.223   5.987   4.733
   45    H    CYS   5           HN       CYS   5  -6.670   3.579   6.087
   46    HA   CYS   5           HA       CYS   5  -4.635   1.702   5.335
   47   1HB   CYS   5          2HB       CYS   5  -5.846   2.620   7.871
   48   2HB   CYS   5          3HB       CYS   5  -5.492   0.901   7.844
   49    QB   CYS   5           QB       CYS   5  -5.669   1.761   7.857
   50    H    LEU   6           HN       LEU   6  -8.099   1.389   5.215
   51    HA   LEU   6           HA       LEU   6  -7.826  -1.581   5.145
   52   1HB   LEU   6          2HB       LEU   6 -10.390  -0.009   5.263
   53   2HB   LEU   6          3HB       LEU   6 -10.108  -1.714   5.574
   54    HG   LEU   6           HG       LEU   6  -8.425  -0.405   7.449
   55   1HD1  LEU   6          1HD1      LEU   6 -10.941   1.212   7.095
   56   2HD1  LEU   6          2HD1      LEU   6 -10.059   1.135   8.636
   57   3HD1  LEU   6          3HD1      LEU   6  -9.235   1.723   7.203
   58   1HD2  LEU   6          3HD2      LEU   6 -10.457  -2.300   7.644
   59   2HD2  LEU   6          1HD2      LEU   6  -9.427  -1.668   8.939
   60   3HD2  LEU   6          2HD2      LEU   6 -11.023  -0.957   8.638
   61    QB   LEU   6           QB       LEU   6 -10.249  -0.861   5.419
   62    QD1  LEU   6           QD1      LEU   6 -10.078   1.357   7.645
   63    QD2  LEU   6           QD2      LEU   6 -10.302  -1.642   8.407
   64    QQD  LEU   6           QQD      LEU   6 -10.190  -0.142   8.026
   65    H    GLU   7           HN       GLU   7  -7.793   1.103   2.966
   66    HA   GLU   7           HA       GLU   7  -9.604   0.048   1.062
   67   1HB   GLU   7          2HB       GLU   7  -8.886   1.731  -0.382
   68   2HB   GLU   7          3HB       GLU   7  -9.012   2.428   1.216
   69   1HG   GLU   7          2HG       GLU   7  -6.881   3.095   1.173
   70   2HG   GLU   7          3HG       GLU   7  -6.274   1.531   0.631
   71    QB   GLU   7           QB       GLU   7  -8.949   2.079   0.417
   72    QG   GLU   7           QG       GLU   7  -6.578   2.313   0.902
   73    HA   PRO   8           HA       PRO   8  -6.856  -2.888  -0.796
   74   1HB   PRO   8          2HB       PRO   8  -7.844  -3.112  -3.379
   75   2HB   PRO   8          3HB       PRO   8  -8.600  -3.821  -1.923
   76   1HG   PRO   8          2HG       PRO   8  -9.389  -1.352  -3.433
   77   2HG   PRO   8          3HG       PRO   8 -10.422  -2.522  -2.563
   78   1HD   PRO   8          2HD       PRO   8  -9.568  -0.016  -1.612
   79   2HD   PRO   8          3HD       PRO   8 -10.220  -1.338  -0.601
   80    QB   PRO   8           QB       PRO   8  -8.222  -3.466  -2.651
   81    QG   PRO   8           QG       PRO   8  -9.906  -1.937  -2.998
   82    QD   PRO   8           QD       PRO   8  -9.894  -0.677  -1.106
   83    HA   PRO   9           HA       PRO   9  -3.681  -0.541  -2.782
   84   1HB   PRO   9          2HB       PRO   9  -2.339  -2.471  -4.237
   85   2HB   PRO   9          3HB       PRO   9  -2.176  -2.276  -2.472
   86   1HG   PRO   9          2HG       PRO   9  -3.774  -4.271  -4.038
   87   2HG   PRO   9          3HG       PRO   9  -2.932  -4.490  -2.480
   88   1HD   PRO   9          2HD       PRO   9  -5.664  -4.090  -2.762
   89   2HD   PRO   9          3HD       PRO   9  -4.747  -3.669  -1.283
   90    QB   PRO   9           QB       PRO   9  -2.257  -2.373  -3.355
   91    QG   PRO   9           QG       PRO   9  -3.353  -4.381  -3.259
   92    QD   PRO   9           QD       PRO   9  -5.206  -3.879  -2.023
   93    H    TYR  10           HN       TYR  10  -3.608   0.737  -4.586
   94    HA   TYR  10           HA       TYR  10  -5.248  -0.037  -6.961
   95   1HB   TYR  10          2HB       TYR  10  -5.807   1.909  -5.399
   96   2HB   TYR  10          3HB       TYR  10  -4.371   2.693  -6.051
   97    HD1  TYR  10           HD2      TYR  10  -4.361   3.535  -8.409
   98    HD2  TYR  10           HD1      TYR  10  -7.829   1.662  -6.652
   99    HE1  TYR  10           HE2      TYR  10  -5.818   4.563 -10.143
  100    HE2  TYR  10           HE1      TYR  10  -9.253   2.621  -8.423
  101    HH   TYR  10           HH       TYR  10  -9.342   4.057 -10.240
  102    QB   TYR  10           QB       TYR  10  -5.089   2.301  -5.725
  103    QR   TYR  10           QR       TYR  10  -6.816   3.095  -8.407
  104    H    THR  11           HN       THR  11  -3.864  -0.795  -8.607
  105    HA   THR  11           HA       THR  11  -1.114   0.151  -8.753
  106    HB   THR  11           HB       THR  11  -2.796  -1.739 -10.358
  107    HG1  THR  11          1HG       THR  11  -0.201  -2.029  -9.156
  108   1HG2  THR  11          3HG2      THR  11  -0.020  -0.873 -11.239
  109   2HG2  THR  11          1HG2      THR  11  -0.968  -2.243 -11.856
  110   3HG2  THR  11          2HG2      THR  11  -1.534  -0.597 -12.137
  111    QG2  THR  11           QG2      THR  11  -0.841  -1.238 -11.744
  112    H    GLY  12           HN       GLY  12  -4.152   1.022 -10.244
  113   1HA   GLY  12          1HA       GLY  12  -4.787   2.841 -11.410
  114   2HA   GLY  12          2HA       GLY  12  -3.210   3.602 -11.079
  115    QA   GLY  12           QA       GLY  12  -3.999   3.221 -11.245
  116    HA   PRO  13           HA       PRO  13  -3.362   2.245 -15.568
  117   1HB   PRO  13          2HB       PRO  13  -3.762   4.623 -16.833
  118   2HB   PRO  13          3HB       PRO  13  -5.089   3.623 -16.194
  119   1HG   PRO  13          2HG       PRO  13  -3.928   6.109 -15.028
  120   2HG   PRO  13          3HG       PRO  13  -5.621   5.556 -15.010
  121   1HD   PRO  13          2HD       PRO  13  -3.689   5.236 -12.930
  122   2HD   PRO  13          3HD       PRO  13  -5.260   4.471 -12.985
  123    QB   PRO  13           QB       PRO  13  -4.426   4.123 -16.514
  124    QG   PRO  13           QG       PRO  13  -4.774   5.832 -15.019
  125    QD   PRO  13           QD       PRO  13  -4.475   4.854 -12.958
  126    H    CYS  14           HN       CYS  14  -1.254   1.960 -14.314
  127    HA   CYS  14           HA       CYS  14   0.890   3.721 -15.442
  128   1HB   CYS  14          2HB       CYS  14   0.754   2.262 -12.796
  129   2HB   CYS  14          3HB       CYS  14   2.226   3.019 -13.463
  130    QB   CYS  14           QB       CYS  14   1.490   2.641 -13.130
  131    H    LYS  15           HN       LYS  15   2.755   2.455 -16.092
  132    HA   LYS  15           HA       LYS  15   2.264  -0.484 -16.503
  133   1HB   LYS  15          2HB       LYS  15   3.412   1.693 -18.249
  134   2HB   LYS  15          3HB       LYS  15   3.978   0.027 -18.457
  135   1HG   LYS  15          2HG       LYS  15   1.708  -0.788 -18.816
  136   2HG   LYS  15          3HG       LYS  15   1.054   0.815 -18.486
  137   1HD   LYS  15          2HD       LYS  15   1.143   1.247 -20.651
  138   2HD   LYS  15          3HD       LYS  15   2.889   1.362 -20.536
  139   1HE   LYS  15          2HE       LYS  15   1.415  -1.285 -21.082
  140   2HE   LYS  15          3HE       LYS  15   1.817  -0.139 -22.357
  141   1HZ   LYS  15          2HZ       LYS  15   4.166  -0.466 -21.072
  142   2HZ   LYS  15          3HZ       LYS  15   3.526  -1.982 -21.065
  143   3HZ   LYS  15          1HZ       LYS  15   3.708  -1.175 -22.481
  144    QB   LYS  15           QB       LYS  15   3.695   0.860 -18.353
  145    QG   LYS  15           QG       LYS  15   1.381   0.014 -18.651
  146    QD   LYS  15           QD       LYS  15   2.016   1.305 -20.594
  147    QE   LYS  15           QE       LYS  15   1.616  -0.712 -21.719
  148    QZ   LYS  15           QZ       LYS  15   3.800  -1.208 -21.539
  149    H    ALA  16           HN       ALA  16   4.408   1.802 -15.036
  150    HA   ALA  16           HA       ALA  16   6.824   0.274 -15.094
  151   1HB   ALA  16          1HB       ALA  16   5.740   2.321 -13.115
  152   2HB   ALA  16          2HB       ALA  16   7.418   1.740 -13.143
  153   3HB   ALA  16          3HB       ALA  16   6.768   2.648 -14.519
  154    QB   ALA  16           QB       ALA  16   6.642   2.237 -13.592
  155    H    ARG  17           HN       ARG  17   7.754  -0.519 -12.809
  156    HA   ARG  17           HA       ARG  17   5.726  -2.055 -11.290
  157   1HB   ARG  17          2HB       ARG  17   6.558  -3.458 -13.014
  158   2HB   ARG  17          3HB       ARG  17   8.256  -3.086 -12.600
  159   1HG   ARG  17          2HG       ARG  17   7.994  -4.172 -10.392
  160   2HG   ARG  17          3HG       ARG  17   6.277  -4.397 -10.699
  161   1HD   ARG  17          2HD       ARG  17   7.210  -6.489 -11.027
  162   2HD   ARG  17          3HD       ARG  17   6.899  -5.922 -12.654
  163    HE   ARG  17           HE       ARG  17   9.454  -6.423 -11.275
  164   1HH1  ARG  17          2HH2      ARG  17   8.005  -4.868 -14.083
  165   2HH1  ARG  17          1HH2      ARG  17   9.486  -4.720 -14.977
  166   1HH2  ARG  17          2HH1      ARG  17  11.444  -6.206 -12.392
  167   2HH2  ARG  17          1HH1      ARG  17  11.498  -5.500 -13.972
  168    QB   ARG  17           QB       ARG  17   7.407  -3.272 -12.807
  169    QG   ARG  17           QG       ARG  17   7.136  -4.284 -10.546
  170    QD   ARG  17           QD       ARG  17   7.054  -6.205 -11.840
  171    QH1  ARG  17           QH2      ARG  17   8.745  -4.794 -14.530
  172    QH2  ARG  17           QH1      ARG  17  11.471  -5.853 -13.182
  173    H    ILE  18           HN       ILE  18   5.969  -1.474  -9.284
  174    HA   ILE  18           HA       ILE  18   8.632  -1.300  -7.980
  175    HB   ILE  18           HB       ILE  18   6.331   0.702  -7.742
  176   1HG1  ILE  18          2HG1      ILE  18   9.077   0.884  -9.024
  177   2HG1  ILE  18          3HG1      ILE  18   7.510   0.998  -9.825
  178   1HG2  ILE  18          2HG2      ILE  18   7.647   0.269  -5.602
  179   2HG2  ILE  18          3HG2      ILE  18   9.095   0.826  -6.465
  180   3HG2  ILE  18          1HG2      ILE  18   7.721   1.926  -6.199
  181   1HD1  ILE  18          1HD1      ILE  18   7.037   3.085  -8.468
  182   2HD1  ILE  18          2HD1      ILE  18   8.756   3.057  -7.988
  183   3HD1  ILE  18          3HD1      ILE  18   8.313   3.211  -9.696
  184    QG1  ILE  18           QG1      ILE  18   8.294   0.941  -9.425
  185    QG2  ILE  18           QG2      ILE  18   8.154   1.007  -6.089
  186    QD1  ILE  18           QD1      ILE  18   8.035   3.118  -8.717
  187    H    ILE  19           HN       ILE  19   8.517  -2.888  -6.451
  188    HA   ILE  19           HA       ILE  19   6.070  -3.961  -5.443
  189    HB   ILE  19           HB       ILE  19   8.893  -4.085  -4.342
  190   1HG1  ILE  19          2HG1      ILE  19   8.712  -5.051  -6.612
  191   2HG1  ILE  19          3HG1      ILE  19   9.063  -6.244  -5.376
  192   1HG2  ILE  19          1HG2      ILE  19   6.345  -5.511  -3.510
  193   2HG2  ILE  19          2HG2      ILE  19   7.948  -6.227  -3.247
  194   3HG2  ILE  19          3HG2      ILE  19   7.540  -4.670  -2.512
  195   1HD1  ILE  19          2HD1      ILE  19   6.262  -6.382  -5.550
  196   2HD1  ILE  19          3HD1      ILE  19   6.788  -6.052  -7.208
  197   3HD1  ILE  19          1HD1      ILE  19   7.426  -7.456  -6.338
  198    QG1  ILE  19           QG1      ILE  19   8.888  -5.648  -5.994
  199    QG2  ILE  19           QG2      ILE  19   7.278  -5.469  -3.090
  200    QD1  ILE  19           QD1      ILE  19   6.826  -6.630  -6.366
  201    H    ARG  20           HN       ARG  20   4.736  -3.090  -4.006
  202    HA   ARG  20           HA       ARG  20   5.595  -0.973  -2.090
  203   1HB   ARG  20          2HB       ARG  20   3.273  -1.107  -4.046
  204   2HB   ARG  20          3HB       ARG  20   3.096  -0.201  -2.549
  205   1HG   ARG  20          2HG       ARG  20   5.299   0.345  -4.574
  206   2HG   ARG  20          3HG       ARG  20   3.722   1.162  -4.466
  207   1HD   ARG  20          2HD       ARG  20   4.394   1.486  -1.948
  208   2HD   ARG  20          3HD       ARG  20   6.031   1.328  -2.529
  209    HE   ARG  20           HE       ARG  20   4.769   3.144  -4.275
  210   1HH1  ARG  20          2HH2      ARG  20   5.010   2.977  -0.788
  211   2HH1  ARG  20          1HH2      ARG  20   4.527   4.602  -0.496
  212   1HH2  ARG  20          2HH1      ARG  20   4.473   5.439  -3.980
  213   2HH2  ARG  20          1HH1      ARG  20   4.485   6.105  -2.382
  214    QB   ARG  20           QB       ARG  20   3.185  -0.654  -3.298
  215    QG   ARG  20           QG       ARG  20   4.511   0.754  -4.520
  216    QD   ARG  20           QD       ARG  20   5.212   1.407  -2.238
  217    QH1  ARG  20           QH2      ARG  20   4.768   3.789  -0.642
  218    QH2  ARG  20           QH1      ARG  20   4.479   5.772  -3.181
  219    H    TYR  21           HN       TYR  21   3.734  -0.762  -0.430
  220    HA   TYR  21           HA       TYR  21   2.574  -3.375   0.189
  221   1HB   TYR  21          2HB       TYR  21   3.991  -1.652   2.185
  222   2HB   TYR  21          3HB       TYR  21   3.459  -3.218   2.556
  223    HD1  TYR  21           HD1      TYR  21   5.949  -1.416   0.343
  224    HD2  TYR  21           HD2      TYR  21   5.176  -4.827   2.830
  225    HE1  TYR  21           HE1      TYR  21   8.042  -2.432  -0.445
  226    HE2  TYR  21           HE2      TYR  21   7.376  -5.777   2.180
  227    HH   TYR  21           HH       TYR  21   8.945  -5.731   0.316
  228    QB   TYR  21           QB       TYR  21   3.725  -2.435   2.370
  229    QR   TYR  21           QR       TYR  21   6.635  -3.613   1.227
  230    H    PHE  22           HN       PHE  22   1.171  -3.132   2.190
  231    HA   PHE  22           HA       PHE  22  -0.308  -0.601   2.400
  232   1HB   PHE  22          2HB       PHE  22  -2.348  -1.364   1.410
  233   2HB   PHE  22          3HB       PHE  22  -1.097  -1.444   0.208
  234    HD1  PHE  22          2HD       PHE  22  -0.187  -3.708  -0.435
  235    HD2  PHE  22          1HD       PHE  22  -3.590  -3.292   2.154
  236    HE1  PHE  22          2HE       PHE  22  -0.921  -6.007  -1.042
  237    HE2  PHE  22          1HE       PHE  22  -4.304  -5.596   1.591
  238    HZ   PHE  22           HZ       PHE  22  -3.002  -6.934  -0.055
  239    QB   PHE  22           QB       PHE  22  -1.722  -1.404   0.809
  240    QR   PHE  22           QR       PHE  22  -2.250  -4.651   0.567
  241    H    TYR  23           HN       TYR  23  -1.948  -0.741   4.107
  242    HA   TYR  23           HA       TYR  23  -1.381  -2.880   6.071
  243   1HB   TYR  23          2HB       TYR  23  -1.766  -0.567   6.784
  244   2HB   TYR  23          3HB       TYR  23  -3.379  -0.601   6.126
  245    HD1  TYR  23           HD2      TYR  23  -5.050  -2.442   7.168
  246    HD2  TYR  23           HD1      TYR  23  -1.419  -1.054   9.006
  247    HE1  TYR  23           HE2      TYR  23  -5.917  -3.085   9.383
  248    HE2  TYR  23           HE1      TYR  23  -2.280  -1.740  11.221
  249    HH   TYR  23           HH       TYR  23  -3.950  -3.004  12.321
  250    QB   TYR  23           QB       TYR  23  -2.573  -0.584   6.455
  251    QR   TYR  23           QR       TYR  23  -3.667  -2.080   9.195
  252    H    ASN  24           HN       ASN  24  -2.332  -4.889   5.745
  253    HA   ASN  24           HA       ASN  24  -4.763  -5.038   4.057
  254   1HB   ASN  24          2HB       ASN  24  -2.977  -6.621   3.789
  255   2HB   ASN  24          3HB       ASN  24  -3.169  -7.227   5.439
  256   1HD2  ASN  24          2HD2      ASN  24  -4.929  -9.481   3.041
  257   2HD2  ASN  24          1HD2      ASN  24  -3.284  -9.010   3.429
  258    QB   ASN  24           QB       ASN  24  -3.073  -6.924   4.614
  259    QD2  ASN  24           QD2      ASN  24  -4.106  -9.245   3.235
  260    H    ALA  25           HN       ALA  25  -6.486  -4.208   5.274
  261    HA   ALA  25           HA       ALA  25  -6.929  -4.774   8.023
  262   1HB   ALA  25          2HB       ALA  25  -8.877  -4.164   5.764
  263   2HB   ALA  25          3HB       ALA  25  -9.300  -4.213   7.490
  264   3HB   ALA  25          1HB       ALA  25  -8.122  -3.016   6.904
  265    QB   ALA  25           QB       ALA  25  -8.766  -3.798   6.720
  266    H    LYS  26           HN       LYS  26  -6.906  -7.064   5.473
  267    HA   LYS  26           HA       LYS  26  -8.987  -8.756   6.792
  268   1HB   LYS  26          2HB       LYS  26  -8.837  -8.459   4.270
  269   2HB   LYS  26          3HB       LYS  26  -7.354  -9.431   4.344
  270   1HG   LYS  26          2HG       LYS  26  -8.771 -11.189   5.611
  271   2HG   LYS  26          3HG       LYS  26 -10.184 -10.263   5.112
  272   1HD   LYS  26          2HD       LYS  26  -8.049 -11.449   3.262
  273   2HD   LYS  26          3HD       LYS  26  -9.590 -12.211   3.653
  274   1HE   LYS  26          2HE       LYS  26 -10.342  -9.630   2.769
  275   2HE   LYS  26          3HE       LYS  26  -8.968 -10.028   1.733
  276   1HZ   LYS  26          3HZ       LYS  26 -10.130 -12.087   1.164
  277   2HZ   LYS  26          1HZ       LYS  26 -11.404 -11.647   2.112
  278   3HZ   LYS  26          2HZ       LYS  26 -11.026 -10.761   0.782
  279    QB   LYS  26           QB       LYS  26  -8.095  -8.945   4.307
  280    QG   LYS  26           QG       LYS  26  -9.478 -10.726   5.362
  281    QD   LYS  26           QD       LYS  26  -8.819 -11.830   3.457
  282    QE   LYS  26           QE       LYS  26  -9.655  -9.829   2.251
  283    QZ   LYS  26           QZ       LYS  26 -10.853 -11.499   1.353
  284    H    ALA  27           HN       ALA  27  -5.505  -8.368   6.486
  285    HA   ALA  27           HA       ALA  27  -5.020 -10.953   7.945
  286   1HB   ALA  27          1HB       ALA  27  -3.164  -9.325   6.179
  287   2HB   ALA  27          2HB       ALA  27  -2.699 -10.749   7.119
  288   3HB   ALA  27          3HB       ALA  27  -3.885 -10.905   5.809
  289    QB   ALA  27           QB       ALA  27  -3.249 -10.326   6.369
  290    H    GLY  28           HN       GLY  28  -5.194  -7.573   8.331
  291   1HA   GLY  28          1HA       GLY  28  -4.714  -6.168  10.011
  292   2HA   GLY  28          2HA       GLY  28  -4.383  -7.561  11.052
  293    QA   GLY  28           QA       GLY  28  -4.548  -6.864  10.531
  294    H    LEU  29           HN       LEU  29  -2.565  -7.026   8.002
  295    HA   LEU  29           HA       LEU  29  -0.217  -6.107   9.497
  296   1HB   LEU  29          2HB       LEU  29  -0.498  -8.634   9.737
  297   2HB   LEU  29          3HB       LEU  29  -0.207  -8.782   8.012
  298    HG   LEU  29           HG       LEU  29   1.675  -9.247   9.632
  299   1HD1  LEU  29          1HD1      LEU  29   1.861  -8.266   7.067
  300   2HD1  LEU  29          2HD1      LEU  29   2.980  -7.211   7.968
  301   3HD1  LEU  29          3HD1      LEU  29   3.175  -8.955   8.025
  302   1HD2  LEU  29          2HD2      LEU  29   1.203  -7.283  11.125
  303   2HD2  LEU  29          3HD2      LEU  29   2.910  -7.497  10.691
  304   3HD2  LEU  29          1HD2      LEU  29   1.959  -6.233   9.911
  305    QB   LEU  29           QB       LEU  29  -0.353  -8.708   8.875
  306    QD1  LEU  29           QD1      LEU  29   2.672  -8.144   7.687
  307    QD2  LEU  29           QD2      LEU  29   2.024  -7.004  10.576
  308    QQD  LEU  29           QQD      LEU  29   2.348  -7.574   9.131
  309    H    CYS  30           HN       CYS  30   1.733  -5.689   7.979
  310    HA   CYS  30           HA       CYS  30   0.551  -4.299   5.726
  311   1HB   CYS  30          2HB       CYS  30   3.390  -4.534   6.646
  312   2HB   CYS  30          3HB       CYS  30   2.826  -3.431   5.374
  313    QB   CYS  30           QB       CYS  30   3.108  -3.982   6.010
  314    H    GLN  31           HN       GLN  31   0.342  -5.081   3.673
  315    HA   GLN  31           HA       GLN  31   1.675  -7.679   3.043
  316   1HB   GLN  31          2HB       GLN  31  -0.981  -6.406   2.347
  317   2HB   GLN  31          3HB       GLN  31  -0.242  -7.441   1.132
  318   1HG   GLN  31          2HG       GLN  31  -1.043  -8.304   3.905
  319   2HG   GLN  31          3HG       GLN  31  -1.756  -8.741   2.327
  320   1HE2  GLN  31          2HE2      GLN  31   0.531 -11.497   3.515
  321   2HE2  GLN  31          1HE2      GLN  31  -0.755 -10.632   4.329
  322    QB   GLN  31           QB       GLN  31  -0.612  -6.924   1.740
  323    QG   GLN  31           QG       GLN  31  -1.400  -8.523   3.116
  324    QE2  GLN  31           QE2      GLN  31  -0.112 -11.064   3.922
  325    H    THR  32           HN       THR  32   1.812  -7.866   0.432
  326    HA   THR  32           HA       THR  32   3.313  -5.409  -0.366
  327    HB   THR  32           HB       THR  32   5.022  -6.779  -1.256
  328    HG1  THR  32          1HG       THR  32   4.164  -8.597  -2.080
  329   1HG2  THR  32          3HG2      THR  32   4.826  -6.550   1.326
  330   2HG2  THR  32          1HG2      THR  32   4.298  -8.232   1.333
  331   3HG2  THR  32          2HG2      THR  32   5.908  -7.821   0.721
  332    QG2  THR  32           QG2      THR  32   5.011  -7.535   1.126
  333    H    PHE  33           HN       PHE  33   3.300  -5.060  -2.756
  334    HA   PHE  33           HA       PHE  33   1.794  -6.809  -4.492
  335   1HB   PHE  33          2HB       PHE  33  -0.052  -5.408  -5.028
  336   2HB   PHE  33          3HB       PHE  33  -0.066  -5.544  -3.290
  337    HD1  PHE  33          2HD       PHE  33   1.313  -3.589  -2.030
  338    HD2  PHE  33          1HD       PHE  33  -0.255  -3.297  -6.033
  339    HE1  PHE  33          2HE       PHE  33   1.019  -1.136  -1.747
  340    HE2  PHE  33          1HE       PHE  33  -0.373  -0.845  -5.807
  341    HZ   PHE  33           HZ       PHE  33   0.281   0.242  -3.665
  342    QB   PHE  33           QB       PHE  33  -0.059  -5.476  -4.159
  343    QR   PHE  33           QR       PHE  33   0.426  -2.217  -3.904
  344    H    VAL  34           HN       VAL  34   1.722  -5.778  -6.747
  345    HA   VAL  34           HA       VAL  34   4.218  -4.224  -7.241
  346    HB   VAL  34           HB       VAL  34   2.312  -5.829  -8.984
  347   1HG1  VAL  34          3HG1      VAL  34   4.447  -3.821  -9.737
  348   2HG1  VAL  34          1HG1      VAL  34   4.074  -5.198 -10.811
  349   3HG1  VAL  34          2HG1      VAL  34   2.829  -4.009 -10.411
  350   1HG2  VAL  34          2HG2      VAL  34   4.351  -6.773  -7.488
  351   2HG2  VAL  34          3HG2      VAL  34   3.978  -7.414  -9.091
  352   3HG2  VAL  34          1HG2      VAL  34   5.283  -6.232  -8.896
  353    QG1  VAL  34           QG1      VAL  34   3.783  -4.343 -10.320
  354    QG2  VAL  34           QG2      VAL  34   4.537  -6.806  -8.492
  355    QQG  VAL  34           QQG      VAL  34   4.160  -5.575  -9.406
  356    H    TYR  35           HN       TYR  35   4.095  -2.065  -7.646
  357    HA   TYR  35           HA       TYR  35   1.453  -0.831  -8.315
  358   1HB   TYR  35          2HB       TYR  35   2.068  -0.346  -6.012
  359   2HB   TYR  35          3HB       TYR  35   3.735  -0.072  -6.473
  360    HD1  TYR  35           HD1      TYR  35   0.292   1.301  -7.195
  361    HD2  TYR  35           HD2      TYR  35   4.515   2.083  -6.749
  362    HE1  TYR  35           HE1      TYR  35  -0.097   3.743  -7.542
  363    HE2  TYR  35           HE2      TYR  35   4.043   4.533  -6.878
  364    HH   TYR  35           HH       TYR  35   0.954   5.694  -8.072
  365    QB   TYR  35           QB       TYR  35   2.901  -0.209  -6.243
  366    QR   TYR  35           QR       TYR  35   2.188   2.915  -7.091
  367    H    GLY  36           HN       GLY  36   1.644   0.787  -9.903
  368   1HA   GLY  36          1HA       GLY  36   3.811   0.591 -11.732
  369   2HA   GLY  36          2HA       GLY  36   2.546   1.802 -11.726
  370    QA   GLY  36           QA       GLY  36   3.178   1.197 -11.729
  371    H    GLY  37           HN       GLY  37   2.900   3.814 -10.634
  372   1HA   GLY  37          1HA       GLY  37   4.970   4.678  -9.021
  373   2HA   GLY  37          2HA       GLY  37   5.719   4.596 -10.620
  374    QA   GLY  37           QA       GLY  37   5.345   4.637  -9.821
  375    H    CYS  38           HN       CYS  38   2.373   5.497  -9.671
  376    HA   CYS  38           HA       CYS  38   2.545   8.236 -10.157
  377   1HB   CYS  38          2HB       CYS  38   1.169   8.201 -12.335
  378   2HB   CYS  38          3HB       CYS  38   2.903   8.090 -12.423
  379    QB   CYS  38           QB       CYS  38   2.036   8.146 -12.379
  380    H    ARG  39           HN       ARG  39   0.443   9.192  -9.978
  381    HA   ARG  39           HA       ARG  39  -1.378   9.463  -8.694
  382   1HB   ARG  39          2HB       ARG  39  -3.420   8.355  -9.449
  383   2HB   ARG  39          3HB       ARG  39  -2.488   8.985 -10.799
  384   1HG   ARG  39          2HG       ARG  39  -2.180   6.084  -9.997
  385   2HG   ARG  39          3HG       ARG  39  -3.619   6.597 -10.851
  386   1HD   ARG  39          2HD       ARG  39  -0.864   7.338 -11.891
  387   2HD   ARG  39          3HD       ARG  39  -1.613   5.798 -12.260
  388    HE   ARG  39           HE       ARG  39  -3.522   7.699 -12.874
  389   1HH1  ARG  39          2HH2      ARG  39  -0.178   7.033 -13.950
  390   2HH1  ARG  39          1HH2      ARG  39  -0.338   7.943 -15.408
  391   1HH2  ARG  39          2HH1      ARG  39  -3.766   8.739 -14.893
  392   2HH2  ARG  39          1HH1      ARG  39  -2.442   8.851 -16.005
  393    QB   ARG  39           QB       ARG  39  -2.954   8.670 -10.124
  394    QG   ARG  39           QG       ARG  39  -2.900   6.340 -10.424
  395    QD   ARG  39           QD       ARG  39  -1.238   6.568 -12.075
  396    QH1  ARG  39           QH2      ARG  39  -0.258   7.488 -14.679
  397    QH2  ARG  39           QH1      ARG  39  -3.104   8.795 -15.449
  398    H    ALA  40           HN       ALA  40   0.474   8.130  -7.238
  399    HA   ALA  40           HA       ALA  40  -0.345   5.638  -6.190
  400   1HB   ALA  40          1HB       ALA  40   1.899   7.160  -5.916
  401   2HB   ALA  40          2HB       ALA  40   1.115   7.503  -4.370
  402   3HB   ALA  40          3HB       ALA  40   1.464   5.820  -4.834
  403    QB   ALA  40           QB       ALA  40   1.493   6.828  -5.040
  404    H    LYS  41           HN       LYS  41  -1.615   5.054  -4.441
  405    HA   LYS  41           HA       LYS  41  -3.512   7.089  -3.444
  406   1HB   LYS  41          2HB       LYS  41  -3.317   4.074  -3.040
  407   2HB   LYS  41          3HB       LYS  41  -4.631   5.087  -2.435
  408   1HG   LYS  41          2HG       LYS  41  -3.956   4.701  -5.360
  409   2HG   LYS  41          3HG       LYS  41  -5.274   3.968  -4.401
  410   1HD   LYS  41          2HD       LYS  41  -5.771   6.594  -3.904
  411   2HD   LYS  41          3HD       LYS  41  -4.998   6.742  -5.504
  412   1HE   LYS  41          2HE       LYS  41  -6.616   5.021  -6.366
  413   2HE   LYS  41          3HE       LYS  41  -7.352   4.925  -4.751
  414   1HZ   LYS  41          1HZ       LYS  41  -7.317   7.319  -6.468
  415   2HZ   LYS  41          2HZ       LYS  41  -8.604   6.325  -6.213
  416   3HZ   LYS  41          3HZ       LYS  41  -8.000   7.211  -4.969
  417    QB   LYS  41           QB       LYS  41  -3.974   4.581  -2.737
  418    QG   LYS  41           QG       LYS  41  -4.615   4.334  -4.880
  419    QD   LYS  41           QD       LYS  41  -5.384   6.668  -4.704
  420    QE   LYS  41           QE       LYS  41  -6.984   4.973  -5.559
  421    QZ   LYS  41           QZ       LYS  41  -7.973   6.952  -5.883
  422    H    ARG  42           HN       ARG  42  -4.066   6.171  -0.968
  423    HA   ARG  42           HA       ARG  42  -1.831   7.431   0.506
  424   1HB   ARG  42          2HB       ARG  42  -4.723   6.770   1.118
  425   2HB   ARG  42          3HB       ARG  42  -3.588   7.231   2.394
  426   1HG   ARG  42          2HG       ARG  42  -3.727   8.987  -0.051
  427   2HG   ARG  42          3HG       ARG  42  -5.072   9.063   1.085
  428   1HD   ARG  42          2HD       ARG  42  -2.182   9.286   1.988
  429   2HD   ARG  42          3HD       ARG  42  -3.115  10.699   1.464
  430    HE   ARG  42           HE       ARG  42  -4.827   9.688   3.245
  431   1HH1  ARG  42          2HH2      ARG  42  -1.349  10.201   3.605
  432   2HH1  ARG  42          1HH2      ARG  42  -1.426  10.590   5.293
  433   1HH2  ARG  42          2HH1      ARG  42  -4.973  10.365   5.439
  434   2HH2  ARG  42          1HH1      ARG  42  -3.539  10.704   6.350
  435    QB   ARG  42           QB       ARG  42  -4.155   7.000   1.756
  436    QG   ARG  42           QG       ARG  42  -4.399   9.025   0.517
  437    QD   ARG  42           QD       ARG  42  -2.649   9.993   1.726
  438    QH1  ARG  42           QH2      ARG  42  -1.387  10.396   4.449
  439    QH2  ARG  42           QH1      ARG  42  -4.256  10.535   5.895
  440    H    ASN  43           HN       ASN  43  -3.554   4.297   0.224
  441    HA   ASN  43           HA       ASN  43  -2.100   3.147   2.466
  442   1HB   ASN  43          2HB       ASN  43  -4.490   2.634   1.696
  443   2HB   ASN  43          3HB       ASN  43  -3.794   1.791   0.343
  444   1HD2  ASN  43          2HD2      ASN  43  -4.370  -0.853   2.938
  445   2HD2  ASN  43          1HD2      ASN  43  -5.194  -0.045   1.630
  446    QB   ASN  43           QB       ASN  43  -4.142   2.213   1.020
  447    QD2  ASN  43           QD2      ASN  43  -4.782  -0.449   2.284
  448    H    ASN  44           HN       ASN  44  -0.090   4.003   1.061
  449    HA   ASN  44           HA       ASN  44   1.034   1.704  -0.520
  450   1HB   ASN  44          2HB       ASN  44   0.608   4.549  -1.417
  451   2HB   ASN  44          3HB       ASN  44   2.091   3.722  -1.879
  452   1HD2  ASN  44          2HD2      ASN  44   0.556   2.406  -4.697
  453   2HD2  ASN  44          1HD2      ASN  44   1.883   3.329  -4.029
  454    QB   ASN  44           QB       ASN  44   1.349   4.136  -1.648
  455    QD2  ASN  44           QD2      ASN  44   1.220   2.868  -4.363
  456    H    PHE  45           HN       PHE  45   2.515   1.100   0.990
  457    HA   PHE  45           HA       PHE  45   4.437   3.159   2.041
  458   1HB   PHE  45          2HB       PHE  45   3.927   0.391   3.114
  459   2HB   PHE  45          3HB       PHE  45   4.681   1.752   3.939
  460    HD1  PHE  45          2HD       PHE  45   3.131   3.974   3.993
  461    HD2  PHE  45          1HD       PHE  45   1.647  -0.054   3.579
  462    HE1  PHE  45          2HE       PHE  45   0.934   4.681   4.838
  463    HE2  PHE  45          1HE       PHE  45  -0.454   0.623   4.719
  464    HZ   PHE  45           HZ       PHE  45  -0.771   2.962   5.447
  465    QB   PHE  45           QB       PHE  45   4.304   1.071   3.527
  466    QR   PHE  45           QR       PHE  45   1.315   2.306   4.282
  467    H    LYS  46           HN       LYS  46   6.669   2.134   2.534
  468    HA   LYS  46           HA       LYS  46   7.504   0.530   0.165
  469   1HB   LYS  46          2HB       LYS  46   9.108   2.444   1.935
  470   2HB   LYS  46          3HB       LYS  46   9.696   1.535   0.544
  471   1HG   LYS  46          2HG       LYS  46   7.382   2.764  -0.395
  472   2HG   LYS  46          3HG       LYS  46   8.051   3.989   0.676
  473   1HD   LYS  46          2HD       LYS  46   9.939   4.338  -0.637
  474   2HD   LYS  46          3HD       LYS  46   9.977   2.705  -1.295
  475   1HE   LYS  46          2HE       LYS  46   7.705   4.584  -2.004
  476   2HE   LYS  46          3HE       LYS  46   9.244   4.690  -2.860
  477   1HZ   LYS  46          1HZ       LYS  46   8.176   2.025  -2.653
  478   2HZ   LYS  46          2HZ       LYS  46   7.325   3.051  -3.618
  479   3HZ   LYS  46          3HZ       LYS  46   8.913   2.775  -3.909
  480    QB   LYS  46           QB       LYS  46   9.402   1.989   1.240
  481    QG   LYS  46           QG       LYS  46   7.717   3.377   0.140
  482    QD   LYS  46           QD       LYS  46   9.958   3.521  -0.966
  483    QE   LYS  46           QE       LYS  46   8.475   4.637  -2.432
  484    QZ   LYS  46           QZ       LYS  46   8.138   2.617  -3.393
  485    H    SER  47           HN       SER  47   7.286   0.604   3.641
  486    HA   SER  47           HA       SER  47   8.450  -2.094   3.775
  487   1HB   SER  47          2HB       SER  47   9.849  -1.624   5.708
  488   2HB   SER  47          3HB       SER  47  10.367  -0.595   4.366
  489    HG   SER  47           HG       SER  47   9.276   1.123   5.336
  490    QB   SER  47           QB       SER  47  10.108  -1.110   5.037
  491    H    ALA  48           HN       ALA  48   7.810  -3.244   5.686
  492    HA   ALA  48           HA       ALA  48   5.107  -2.777   6.410
  493   1HB   ALA  48          2HB       ALA  48   6.221  -5.022   6.318
  494   2HB   ALA  48          3HB       ALA  48   7.129  -4.592   7.788
  495   3HB   ALA  48          1HB       ALA  48   5.362  -4.719   7.843
  496    QB   ALA  48           QB       ALA  48   6.237  -4.778   7.317
  497    H    GLU  49           HN       GLU  49   8.205  -2.186   8.082
  498    HA   GLU  49           HA       GLU  49   7.296  -1.337  10.587
  499   1HB   GLU  49          2HB       GLU  49   9.588  -0.297   8.859
  500   2HB   GLU  49          3HB       GLU  49   9.384   0.051  10.571
  501   1HG   GLU  49          2HG       GLU  49   9.326  -2.874   9.885
  502   2HG   GLU  49          3HG       GLU  49  10.849  -2.052   9.540
  503    QB   GLU  49           QB       GLU  49   9.486  -0.123   9.715
  504    QG   GLU  49           QG       GLU  49  10.088  -2.463   9.713
  505    H    ASP  50           HN       ASP  50   7.862   0.656   7.624
  506    HA   ASP  50           HA       ASP  50   6.962   3.037   8.885
  507   1HB   ASP  50          2HB       ASP  50   8.369   2.547   6.624
  508   2HB   ASP  50          3HB       ASP  50   6.782   2.839   5.885
  509    QB   ASP  50           QB       ASP  50   7.575   2.693   6.255
  510    H    CYS  51           HN       CYS  51   5.392   0.739   6.672
  511    HA   CYS  51           HA       CYS  51   2.828   1.830   6.378
  512   1HB   CYS  51          2HB       CYS  51   3.438  -0.237   5.228
  513   2HB   CYS  51          3HB       CYS  51   3.866  -0.970   6.729
  514    QB   CYS  51           QB       CYS  51   3.652  -0.604   5.979
  515    H    MET  52           HN       MET  52   3.839  -0.418   9.022
  516    HA   MET  52           HA       MET  52   1.431  -0.064  10.529
  517   1HB   MET  52          2HB       MET  52   4.006  -1.407  10.930
  518   2HB   MET  52          3HB       MET  52   3.609  -0.439  12.341
  519   1HG   MET  52          2HG       MET  52   2.683  -2.429  12.877
  520   2HG   MET  52          3HG       MET  52   1.272  -1.580  12.272
  521   1HE   MET  52          2HE       MET  52   0.305  -2.103   9.835
  522   2HE   MET  52          3HE       MET  52  -0.018  -3.832   9.586
  523   3HE   MET  52          1HE       MET  52  -0.386  -3.091  11.158
  524    QB   MET  52           QB       MET  52   3.807  -0.923  11.635
  525    QG   MET  52           QG       MET  52   1.978  -2.004  12.575
  526    QE   MET  52           QE       MET  52  -0.033  -3.009  10.193
  527    H    ARG  53           HN       ARG  53   4.570   1.743  10.726
  528    HA   ARG  53           HA       ARG  53   3.834   3.391  12.878
  529   1HB   ARG  53          2HB       ARG  53   5.457   4.128  10.417
  530   2HB   ARG  53          3HB       ARG  53   5.386   5.082  11.888
  531   1HG   ARG  53          2HG       ARG  53   6.091   2.195  12.303
  532   2HG   ARG  53          3HG       ARG  53   7.243   3.138  11.341
  533   1HD   ARG  53          2HD       ARG  53   7.266   4.845  13.181
  534   2HD   ARG  53          3HD       ARG  53   6.256   3.730  14.151
  535    HE   ARG  53           HE       ARG  53   8.480   2.300  13.131
  536   1HH1  ARG  53          2HH2      ARG  53   7.851   4.944  15.350
  537   2HH1  ARG  53          1HH2      ARG  53   9.282   4.737  16.315
  538   1HH2  ARG  53          2HH1      ARG  53  10.380   1.904  14.420
  539   2HH2  ARG  53          1HH1      ARG  53  10.765   2.937  15.759
  540    QB   ARG  53           QB       ARG  53   5.422   4.605  11.152
  541    QG   ARG  53           QG       ARG  53   6.667   2.667  11.822
  542    QD   ARG  53           QD       ARG  53   6.761   4.288  13.666
  543    QH1  ARG  53           QH2      ARG  53   8.566   4.840  15.832
  544    QH2  ARG  53           QH1      ARG  53  10.572   2.420  15.090
  545    H    THR  54           HN       THR  54   3.054   3.845   9.412
  546    HA   THR  54           HA       THR  54   1.637   6.325   9.783
  547    HB   THR  54           HB       THR  54   1.681   4.216   7.602
  548    HG1  THR  54          1HG       THR  54   3.430   5.653   7.876
  549   1HG2  THR  54          1HG2      THR  54  -0.173   6.597   7.877
  550   2HG2  THR  54          2HG2      THR  54   0.459   6.157   6.298
  551   3HG2  THR  54          3HG2      THR  54  -0.486   4.969   7.223
  552    QG2  THR  54           QG2      THR  54  -0.067   5.907   7.133
  553    H    CYS  55           HN       CYS  55   0.591   2.913  10.035
  554    HA   CYS  55           HA       CYS  55  -2.228   3.725  10.171
  555   1HB   CYS  55          2HB       CYS  55  -1.029   1.464   9.273
  556   2HB   CYS  55          3HB       CYS  55  -1.400   0.959  10.925
  557    QB   CYS  55           QB       CYS  55  -1.214   1.212  10.099
  558    H    GLY  56           HN       GLY  56  -0.003   2.088  12.371
  559   1HA   GLY  56          1HA       GLY  56  -1.496   1.995  14.768
  560   2HA   GLY  56          2HA       GLY  56   0.264   1.941  14.588
  561    QA   GLY  56           QA       GLY  56  -0.616   1.968  14.678
  562    H    GLY  57           HN       GLY  57  -2.497   4.069  14.944
  563   1HA   GLY  57          1HA       GLY  57  -2.241   5.902  16.672
  564   2HA   GLY  57          2HA       GLY  57  -0.780   6.367  15.780
  565    QA   GLY  57           QA       GLY  57  -1.510   6.135  16.226
  566    H    ALA  58           HN       ALA  58  -1.146   7.910  14.331
  567    HA   ALA  58           HA       ALA  58  -2.075   9.350  12.913
  568   1HB   ALA  58          1HB       ALA  58  -2.468   7.087  11.611
  569   2HB   ALA  58          2HB       ALA  58  -4.167   7.386  11.997
  570   3HB   ALA  58          3HB       ALA  58  -3.257   8.585  11.072
  571    QB   ALA  58           QB       ALA  58  -3.297   7.686  11.560
   
  No H/Q in entry =         571
  Start of MODEL   12
    1    H    ARG   1           HN       ARG   1  -6.362   5.260  13.462
    2    HA   ARG   1           HA       ARG   1  -5.191   3.843  11.709
    3   1HB   ARG   1          2HB       ARG   1  -5.969   1.736  12.547
    4   2HB   ARG   1          3HB       ARG   1  -7.671   2.272  12.358
    5   1HG   ARG   1          2HG       ARG   1  -7.454   2.205   9.910
    6   2HG   ARG   1          3HG       ARG   1  -5.764   1.737  10.106
    7   1HD   ARG   1          2HD       ARG   1  -6.713  -0.305   9.754
    8   2HD   ARG   1          3HD       ARG   1  -6.774  -0.309  11.504
    9    HE   ARG   1           HE       ARG   1  -8.922  -0.130   9.531
   10   1HH1  ARG   1          2HH2      ARG   1  -8.251   0.468  12.954
   11   2HH1  ARG   1          1HH2      ARG   1  -9.877   0.214  13.485
   12   1HH2  ARG   1          2HH1      ARG   1 -11.125  -0.283  10.188
   13   2HH2  ARG   1          1HH1      ARG   1 -11.550  -0.215  11.863
   14    QB   ARG   1           QB       ARG   1  -6.820   2.004  12.453
   15    QG   ARG   1           QG       ARG   1  -6.609   1.971  10.008
   16    QD   ARG   1           QD       ARG   1  -6.744  -0.307  10.629
   17    QH1  ARG   1           QH2      ARG   1  -9.064   0.341  13.220
   18    QH2  ARG   1           QH1      ARG   1 -11.337  -0.249  11.026
   19    HA   PRO   2           HA       PRO   2  -8.120   6.562   9.430
   20   1HB   PRO   2          2HB       PRO   2  -6.740   6.498   6.998
   21   2HB   PRO   2          3HB       PRO   2  -6.494   7.682   8.281
   22   1HG   PRO   2          2HG       PRO   2  -4.821   5.326   7.520
   23   2HG   PRO   2          3HG       PRO   2  -4.320   6.807   8.371
   24   1HD   PRO   2          2HD       PRO   2  -4.757   4.290   9.528
   25   2HD   PRO   2          3HD       PRO   2  -4.666   5.840  10.419
   26    QB   PRO   2           QB       PRO   2  -6.617   7.090   7.639
   27    QG   PRO   2           QG       PRO   2  -4.570   6.066   7.945
   28    QD   PRO   2           QD       PRO   2  -4.711   5.065   9.974
   29    H    ASP   3           HN       ASP   3  -9.684   6.194   7.785
   30    HA   ASP   3           HA       ASP   3 -10.406   3.524   7.372
   31   1HB   ASP   3          2HB       ASP   3 -11.881   5.604   7.339
   32   2HB   ASP   3          3HB       ASP   3 -11.357   5.841   5.660
   33    QB   ASP   3           QB       ASP   3 -11.619   5.722   6.500
   34    H    PHE   4           HN       PHE   4  -8.372   5.675   5.404
   35    HA   PHE   4           HA       PHE   4  -8.487   4.122   2.995
   36   1HB   PHE   4          2HB       PHE   4  -6.527   5.172   2.277
   37   2HB   PHE   4          3HB       PHE   4  -7.546   6.385   3.016
   38    HD1  PHE   4          1HD       PHE   4  -4.540   4.172   3.574
   39    HD2  PHE   4          2HD       PHE   4  -6.516   7.859   4.630
   40    HE1  PHE   4          1HE       PHE   4  -2.615   4.800   4.959
   41    HE2  PHE   4          2HE       PHE   4  -4.542   8.508   5.985
   42    HZ   PHE   4           HZ       PHE   4  -2.653   6.915   6.263
   43    QB   PHE   4           QB       PHE   4  -7.036   5.779   2.646
   44    QR   PHE   4           QR       PHE   4  -4.553   6.335   4.787
   45    H    CYS   5           HN       CYS   5  -6.968   3.509   6.106
   46    HA   CYS   5           HA       CYS   5  -4.905   1.785   5.107
   47   1HB   CYS   5          2HB       CYS   5  -5.418   2.941   7.520
   48   2HB   CYS   5          3HB       CYS   5  -5.996   1.297   7.826
   49    QB   CYS   5           QB       CYS   5  -5.707   2.119   7.673
   50    H    LEU   6           HN       LEU   6  -8.305   1.384   5.091
   51    HA   LEU   6           HA       LEU   6  -8.068  -1.584   5.055
   52   1HB   LEU   6          2HB       LEU   6 -10.550   0.150   5.098
   53   2HB   LEU   6          3HB       LEU   6 -10.456  -1.597   5.256
   54    HG   LEU   6           HG       LEU   6  -8.728  -0.721   7.286
   55   1HD1  LEU   6          1HD1      LEU   6 -11.053   1.217   7.015
   56   2HD1  LEU   6          2HD1      LEU   6 -10.247   0.941   8.553
   57   3HD1  LEU   6          3HD1      LEU   6  -9.308   1.553   7.192
   58   1HD2  LEU   6          1HD2      LEU   6 -10.559  -2.515   7.304
   59   2HD2  LEU   6          2HD2      LEU   6 -10.225  -1.648   8.796
   60   3HD2  LEU   6          3HD2      LEU   6 -11.655  -1.221   7.814
   61    QB   LEU   6           QB       LEU   6 -10.503  -0.724   5.177
   62    QD1  LEU   6           QD1      LEU   6 -10.203   1.237   7.587
   63    QD2  LEU   6           QD2      LEU   6 -10.813  -1.795   7.971
   64    QQD  LEU   6           QQD      LEU   6 -10.508  -0.279   7.779
   65    H    GLU   7           HN       GLU   7  -7.719   0.942   2.770
   66    HA   GLU   7           HA       GLU   7  -9.557  -0.087   0.854
   67   1HB   GLU   7          2HB       GLU   7  -8.806   1.557  -0.581
   68   2HB   GLU   7          3HB       GLU   7  -8.675   2.274   1.011
   69   1HG   GLU   7          2HG       GLU   7  -6.193   1.718   0.905
   70   2HG   GLU   7          3HG       GLU   7  -6.423   1.215  -0.769
   71    QB   GLU   7           QB       GLU   7  -8.740   1.916   0.215
   72    QG   GLU   7           QG       GLU   7  -6.308   1.467   0.068
   73    HA   PRO   8           HA       PRO   8  -7.222  -3.588  -0.565
   74   1HB   PRO   8          2HB       PRO   8  -8.101  -3.838  -3.188
   75   2HB   PRO   8          3HB       PRO   8  -9.122  -4.205  -1.768
   76   1HG   PRO   8          2HG       PRO   8  -8.952  -1.613  -3.335
   77   2HG   PRO   8          3HG       PRO   8 -10.428  -2.550  -2.949
   78   1HD   PRO   8          2HD       PRO   8  -9.691  -0.449  -1.439
   79   2HD   PRO   8          3HD       PRO   8 -10.284  -1.932  -0.632
   80    QB   PRO   8           QB       PRO   8  -8.611  -4.021  -2.478
   81    QG   PRO   8           QG       PRO   8  -9.690  -2.082  -3.142
   82    QD   PRO   8           QD       PRO   8  -9.987  -1.190  -1.035
   83    HA   PRO   9           HA       PRO   9  -3.594  -2.074  -2.488
   84   1HB   PRO   9          2HB       PRO   9  -2.591  -4.105  -4.020
   85   2HB   PRO   9          3HB       PRO   9  -2.622  -4.123  -2.233
   86   1HG   PRO   9          2HG       PRO   9  -4.585  -5.401  -4.161
   87   2HG   PRO   9          3HG       PRO   9  -3.833  -6.139  -2.716
   88   1HD   PRO   9          2HD       PRO   9  -6.348  -5.090  -2.692
   89   2HD   PRO   9          3HD       PRO   9  -5.288  -4.954  -1.274
   90    QB   PRO   9           QB       PRO   9  -2.606  -4.114  -3.127
   91    QG   PRO   9           QG       PRO   9  -4.209  -5.770  -3.438
   92    QD   PRO   9           QD       PRO   9  -5.818  -5.022  -1.983
   93    H    TYR  10           HN       TYR  10  -3.986  -0.419  -3.816
   94    HA   TYR  10           HA       TYR  10  -5.239  -0.689  -6.446
   95   1HB   TYR  10          2HB       TYR  10  -5.267   1.668  -6.457
   96   2HB   TYR  10          3HB       TYR  10  -5.521   1.279  -4.763
   97    HD1  TYR  10           HD1      TYR  10  -3.423   1.367  -3.175
   98    HD2  TYR  10           HD2      TYR  10  -3.532   3.028  -7.160
   99    HE1  TYR  10           HE1      TYR  10  -1.200   2.316  -2.837
  100    HE2  TYR  10           HE2      TYR  10  -1.539   4.301  -6.641
  101    HH   TYR  10           HH       TYR  10  -0.412   4.588  -3.500
  102    QB   TYR  10           QB       TYR  10  -5.394   1.473  -5.610
  103    QR   TYR  10           QR       TYR  10  -2.423   2.753  -4.953
  104    H    THR  11           HN       THR  11  -3.922  -1.357  -8.249
  105    HA   THR  11           HA       THR  11  -1.017  -1.108  -8.036
  106    HB   THR  11           HB       THR  11  -2.853  -2.035 -10.229
  107    HG1  THR  11          1HG       THR  11  -1.558  -3.866  -9.846
  108   1HG2  THR  11          1HG2      THR  11   0.144  -1.524 -10.516
  109   2HG2  THR  11          2HG2      THR  11  -0.842  -2.513 -11.612
  110   3HG2  THR  11          3HG2      THR  11  -1.147  -0.784 -11.492
  111    QG2  THR  11           QG2      THR  11  -0.615  -1.607 -11.207
  112    H    GLY  12           HN       GLY  12  -3.603   0.865  -9.396
  113   1HA   GLY  12          1HA       GLY  12  -3.511   3.126  -9.853
  114   2HA   GLY  12          2HA       GLY  12  -1.755   3.174  -9.662
  115    QA   GLY  12           QA       GLY  12  -2.633   3.150  -9.758
  116    HA   PRO  13           HA       PRO  13  -3.126   1.858 -14.108
  117   1HB   PRO  13          2HB       PRO  13  -4.269   3.955 -15.408
  118   2HB   PRO  13          3HB       PRO  13  -5.178   2.943 -14.262
  119   1HG   PRO  13          2HG       PRO  13  -3.834   5.598 -13.678
  120   2HG   PRO  13          3HG       PRO  13  -5.531   5.137 -13.344
  121   1HD   PRO  13          2HD       PRO  13  -3.559   4.934 -11.425
  122   2HD   PRO  13          3HD       PRO  13  -4.873   3.728 -11.538
  123    QB   PRO  13           QB       PRO  13  -4.724   3.449 -14.835
  124    QG   PRO  13           QG       PRO  13  -4.683   5.367 -13.511
  125    QD   PRO  13           QD       PRO  13  -4.216   4.331 -11.481
  126    H    CYS  14           HN       CYS  14  -0.578   2.168 -13.463
  127    HA   CYS  14           HA       CYS  14   0.501   4.101 -15.497
  128   1HB   CYS  14          2HB       CYS  14   1.402   3.763 -12.639
  129   2HB   CYS  14          3HB       CYS  14   2.422   4.451 -13.911
  130    QB   CYS  14           QB       CYS  14   1.912   4.107 -13.275
  131    H    LYS  15           HN       LYS  15   2.284   3.528 -16.656
  132    HA   LYS  15           HA       LYS  15   2.196   0.647 -17.124
  133   1HB   LYS  15          2HB       LYS  15   3.185   3.038 -18.677
  134   2HB   LYS  15          3HB       LYS  15   3.601   1.411 -19.199
  135   1HG   LYS  15          2HG       LYS  15   0.698   2.146 -18.732
  136   2HG   LYS  15          3HG       LYS  15   1.548   2.561 -20.229
  137   1HD   LYS  15          2HD       LYS  15   2.189   0.166 -20.535
  138   2HD   LYS  15          3HD       LYS  15   1.192  -0.263 -19.130
  139   1HE   LYS  15          2HE       LYS  15  -0.824   0.681 -20.316
  140   2HE   LYS  15          3HE       LYS  15   0.209   1.115 -21.688
  141   1HZ   LYS  15          2HZ       LYS  15   0.713  -1.307 -21.856
  142   2HZ   LYS  15          3HZ       LYS  15  -0.516  -1.584 -20.792
  143   3HZ   LYS  15          1HZ       LYS  15  -0.820  -0.864 -22.234
  144    QB   LYS  15           QB       LYS  15   3.393   2.224 -18.938
  145    QG   LYS  15           QG       LYS  15   1.123   2.353 -19.481
  146    QD   LYS  15           QD       LYS  15   1.690  -0.048 -19.833
  147    QE   LYS  15           QE       LYS  15  -0.307   0.898 -21.002
  148    QZ   LYS  15           QZ       LYS  15  -0.208  -1.252 -21.627
  149    H    ALA  16           HN       ALA  16   3.340   0.516 -14.924
  150    HA   ALA  16           HA       ALA  16   6.092  -0.336 -15.440
  151   1HB   ALA  16          2HB       ALA  16   5.398   2.054 -13.692
  152   2HB   ALA  16          3HB       ALA  16   6.900   1.125 -13.467
  153   3HB   ALA  16          1HB       ALA  16   6.581   1.966 -14.996
  154    QB   ALA  16           QB       ALA  16   6.293   1.715 -14.052
  155    H    ARG  17           HN       ARG  17   6.943  -1.170 -13.088
  156    HA   ARG  17           HA       ARG  17   4.760  -2.096 -11.402
  157   1HB   ARG  17          2HB       ARG  17   6.876  -4.101 -12.183
  158   2HB   ARG  17          3HB       ARG  17   5.364  -4.304 -11.429
  159   1HG   ARG  17          2HG       ARG  17   5.036  -5.285 -13.458
  160   2HG   ARG  17          3HG       ARG  17   4.222  -3.734 -13.650
  161   1HD   ARG  17          2HD       ARG  17   6.047  -2.930 -15.103
  162   2HD   ARG  17          3HD       ARG  17   7.142  -4.141 -14.459
  163    HE   ARG  17           HE       ARG  17   6.513  -5.597 -16.034
  164   1HH1  ARG  17          2HH2      ARG  17   3.923  -3.246 -15.683
  165   2HH1  ARG  17          1HH2      ARG  17   2.948  -3.859 -16.985
  166   1HH2  ARG  17          2HH1      ARG  17   5.270  -6.462 -17.770
  167   2HH2  ARG  17          1HH1      ARG  17   3.753  -5.754 -18.211
  168    QB   ARG  17           QB       ARG  17   6.120  -4.203 -11.806
  169    QG   ARG  17           QG       ARG  17   4.629  -4.510 -13.554
  170    QD   ARG  17           QD       ARG  17   6.594  -3.536 -14.781
  171    QH1  ARG  17           QH2      ARG  17   3.436  -3.552 -16.334
  172    QH2  ARG  17           QH1      ARG  17   4.511  -6.108 -17.990
  173    H    ILE  18           HN       ILE  18   5.467  -1.679  -9.348
  174    HA   ILE  18           HA       ILE  18   8.363  -1.672  -8.642
  175    HB   ILE  18           HB       ILE  18   6.294   0.503  -8.034
  176   1HG1  ILE  18          2HG1      ILE  18   8.673   0.464  -9.921
  177   2HG1  ILE  18          3HG1      ILE  18   6.961   0.707 -10.318
  178   1HG2  ILE  18          3HG2      ILE  18   7.926   0.103  -6.182
  179   2HG2  ILE  18          1HG2      ILE  18   9.256   0.384  -7.326
  180   3HG2  ILE  18          2HG2      ILE  18   8.113   1.686  -6.913
  181   1HD1  ILE  18          2HD1      ILE  18   7.024   2.818  -8.908
  182   2HD1  ILE  18          3HD1      ILE  18   8.797   2.649  -8.887
  183   3HD1  ILE  18          1HD1      ILE  18   7.944   2.847 -10.427
  184    QG1  ILE  18           QG1      ILE  18   7.817   0.585 -10.119
  185    QG2  ILE  18           QG2      ILE  18   8.431   0.724  -6.807
  186    QD1  ILE  18           QD1      ILE  18   7.922   2.772  -9.407
  187    H    ILE  19           HN       ILE  19   8.505  -3.097  -6.881
  188    HA   ILE  19           HA       ILE  19   6.195  -4.000  -5.483
  189    HB   ILE  19           HB       ILE  19   9.090  -4.027  -4.575
  190   1HG1  ILE  19          2HG1      ILE  19   8.949  -5.172  -6.711
  191   2HG1  ILE  19          3HG1      ILE  19   9.168  -6.338  -5.414
  192   1HG2  ILE  19          1HG2      ILE  19   6.649  -5.598  -3.621
  193   2HG2  ILE  19          2HG2      ILE  19   8.324  -6.004  -3.199
  194   3HG2  ILE  19          3HG2      ILE  19   7.631  -4.462  -2.687
  195   1HD1  ILE  19          3HD1      ILE  19   6.735  -6.898  -5.505
  196   2HD1  ILE  19          1HD1      ILE  19   6.546  -5.736  -6.841
  197   3HD1  ILE  19          2HD1      ILE  19   7.564  -7.167  -7.044
  198    QG1  ILE  19           QG1      ILE  19   9.058  -5.755  -6.063
  199    QG2  ILE  19           QG2      ILE  19   7.535  -5.355  -3.169
  200    QD1  ILE  19           QD1      ILE  19   6.948  -6.600  -6.463
  201    H    ARG  20           HN       ARG  20   5.066  -3.163  -3.838
  202    HA   ARG  20           HA       ARG  20   6.188  -1.105  -2.088
  203   1HB   ARG  20          2HB       ARG  20   3.742  -0.785  -3.895
  204   2HB   ARG  20          3HB       ARG  20   3.864   0.134  -2.393
  205   1HG   ARG  20          2HG       ARG  20   5.921   0.230  -4.622
  206   2HG   ARG  20          3HG       ARG  20   4.639   1.406  -4.368
  207   1HD   ARG  20          2HD       ARG  20   5.679   2.454  -2.711
  208   2HD   ARG  20          3HD       ARG  20   6.133   1.008  -1.861
  209    HE   ARG  20           HE       ARG  20   7.909   0.808  -3.783
  210   1HH1  ARG  20          2HH2      ARG  20   7.010   3.547  -1.751
  211   2HH1  ARG  20          1HH2      ARG  20   8.371   4.542  -2.145
  212   1HH2  ARG  20          2HH1      ARG  20   9.780   2.108  -4.351
  213   2HH2  ARG  20          1HH1      ARG  20  10.021   3.669  -3.632
  214    QB   ARG  20           QB       ARG  20   3.803  -0.325  -3.144
  215    QG   ARG  20           QG       ARG  20   5.280   0.818  -4.495
  216    QD   ARG  20           QD       ARG  20   5.906   1.731  -2.286
  217    QH1  ARG  20           QH2      ARG  20   7.691   4.044  -1.948
  218    QH2  ARG  20           QH1      ARG  20   9.900   2.888  -3.991
  219    H    TYR  21           HN       TYR  21   4.335  -0.631  -0.353
  220    HA   TYR  21           HA       TYR  21   3.067  -3.218   0.305
  221   1HB   TYR  21          2HB       TYR  21   4.251  -1.424   2.392
  222   2HB   TYR  21          3HB       TYR  21   3.695  -3.039   2.588
  223    HD1  TYR  21           HD1      TYR  21   6.428  -1.451   0.404
  224    HD2  TYR  21           HD2      TYR  21   5.405  -4.384   3.391
  225    HE1  TYR  21           HE1      TYR  21   8.521  -2.623  -0.054
  226    HE2  TYR  21           HE2      TYR  21   7.680  -5.342   3.170
  227    HH   TYR  21           HH       TYR  21   9.929  -4.324   0.585
  228    QB   TYR  21           QB       TYR  21   3.973  -2.231   2.490
  229    QR   TYR  21           QR       TYR  21   7.008  -3.450   1.727
  230    H    PHE  22           HN       PHE  22   1.472  -2.949   2.048
  231    HA   PHE  22           HA       PHE  22   0.001  -0.423   2.130
  232   1HB   PHE  22          2HB       PHE  22  -1.991  -1.111   1.123
  233   2HB   PHE  22          3HB       PHE  22  -0.789  -1.345  -0.082
  234    HD1  PHE  22          2HD       PHE  22   0.232  -4.009   0.168
  235    HD2  PHE  22          1HD       PHE  22  -3.739  -2.614   1.126
  236    HE1  PHE  22          2HE       PHE  22  -0.653  -6.294  -0.142
  237    HE2  PHE  22          1HE       PHE  22  -4.595  -4.902   0.886
  238    HZ   PHE  22           HZ       PHE  22  -3.074  -6.750   0.181
  239    QB   PHE  22           QB       PHE  22  -1.390  -1.228   0.520
  240    QR   PHE  22           QR       PHE  22  -2.189  -4.455   0.509
  241    H    TYR  23           HN       TYR  23  -1.599  -0.533   3.857
  242    HA   TYR  23           HA       TYR  23  -1.376  -2.880   5.656
  243   1HB   TYR  23          2HB       TYR  23  -1.738  -0.486   6.389
  244   2HB   TYR  23          3HB       TYR  23  -3.363  -0.657   5.723
  245    HD1  TYR  23           HD2      TYR  23  -4.840  -2.613   6.687
  246    HD2  TYR  23           HD1      TYR  23  -1.320  -1.055   8.635
  247    HE1  TYR  23           HE2      TYR  23  -5.792  -3.202   8.876
  248    HE2  TYR  23           HE1      TYR  23  -2.312  -1.590  10.836
  249    HH   TYR  23           HH       TYR  23  -5.485  -3.175  11.175
  250    QB   TYR  23           QB       TYR  23  -2.550  -0.571   6.056
  251    QR   TYR  23           QR       TYR  23  -3.566  -2.115   8.759
  252    H    ASN  24           HN       ASN  24  -2.678  -4.656   5.443
  253    HA   ASN  24           HA       ASN  24  -4.967  -4.541   3.499
  254   1HB   ASN  24          2HB       ASN  24  -3.168  -6.079   2.896
  255   2HB   ASN  24          3HB       ASN  24  -3.279  -6.862   4.467
  256   1HD2  ASN  24          2HD2      ASN  24  -5.151  -9.158   2.448
  257   2HD2  ASN  24          1HD2      ASN  24  -3.533  -8.779   3.000
  258    QB   ASN  24           QB       ASN  24  -3.224  -6.471   3.682
  259    QD2  ASN  24           QD2      ASN  24  -4.342  -8.969   2.724
  260    H    ALA  25           HN       ALA  25  -6.602  -3.885   4.976
  261    HA   ALA  25           HA       ALA  25  -7.040  -5.018   7.517
  262   1HB   ALA  25          1HB       ALA  25  -9.028  -4.026   5.442
  263   2HB   ALA  25          2HB       ALA  25  -9.401  -4.404   7.141
  264   3HB   ALA  25          3HB       ALA  25  -8.258  -3.097   6.762
  265    QB   ALA  25           QB       ALA  25  -8.896  -3.842   6.448
  266    H    LYS  26           HN       LYS  26  -7.101  -6.763   4.472
  267    HA   LYS  26           HA       LYS  26  -9.216  -8.579   5.309
  268   1HB   LYS  26          2HB       LYS  26  -8.233  -8.171   2.910
  269   2HB   LYS  26          3HB       LYS  26  -6.994  -9.326   3.419
  270   1HG   LYS  26          2HG       LYS  26  -8.608 -10.527   2.220
  271   2HG   LYS  26          3HG       LYS  26  -8.847 -10.985   3.913
  272   1HD   LYS  26          2HD       LYS  26 -10.829  -9.606   4.087
  273   2HD   LYS  26          3HD       LYS  26 -10.446  -8.751   2.577
  274   1HE   LYS  26          2HE       LYS  26 -10.795 -10.860   1.290
  275   2HE   LYS  26          3HE       LYS  26 -11.205 -11.709   2.792
  276   1HZ   LYS  26          3HZ       LYS  26 -12.692  -9.427   1.654
  277   2HZ   LYS  26          1HZ       LYS  26 -13.148 -11.003   1.573
  278   3HZ   LYS  26          2HZ       LYS  26 -13.094 -10.242   3.027
  279    QB   LYS  26           QB       LYS  26  -7.613  -8.748   3.165
  280    QG   LYS  26           QG       LYS  26  -8.728 -10.756   3.066
  281    QD   LYS  26           QD       LYS  26 -10.638  -9.179   3.332
  282    QE   LYS  26           QE       LYS  26 -11.000 -11.285   2.041
  283    QZ   LYS  26           QZ       LYS  26 -12.978 -10.224   2.085
  284    H    ALA  27           HN       ALA  27  -5.820  -8.162   6.032
  285    HA   ALA  27           HA       ALA  27  -5.737 -10.752   7.544
  286   1HB   ALA  27          1HB       ALA  27  -4.033 -10.127   5.612
  287   2HB   ALA  27          2HB       ALA  27  -3.328  -9.109   6.893
  288   3HB   ALA  27          3HB       ALA  27  -3.459 -10.853   7.128
  289    QB   ALA  27           QB       ALA  27  -3.607 -10.029   6.544
  290    H    GLY  28           HN       GLY  28  -5.334  -7.241   7.687
  291   1HA   GLY  28          1HA       GLY  28  -5.452  -5.832   9.513
  292   2HA   GLY  28          2HA       GLY  28  -5.358  -7.203  10.628
  293    QA   GLY  28           QA       GLY  28  -5.405  -6.518  10.071
  294    H    LEU  29           HN       LEU  29  -3.059  -6.585   7.901
  295    HA   LEU  29           HA       LEU  29  -1.003  -5.529   9.662
  296   1HB   LEU  29          2HB       LEU  29  -1.302  -8.211   9.671
  297   2HB   LEU  29          3HB       LEU  29  -0.342  -8.115   8.213
  298    HG   LEU  29           HG       LEU  29   0.575  -6.745  10.795
  299   1HD1  LEU  29          2HD1      LEU  29   0.831  -9.692  10.125
  300   2HD1  LEU  29          3HD1      LEU  29   1.617  -8.853  11.487
  301   3HD1  LEU  29          1HD1      LEU  29  -0.145  -8.988  11.436
  302   1HD2  LEU  29          2HD2      LEU  29   1.950  -7.888   8.329
  303   2HD2  LEU  29          3HD2      LEU  29   2.207  -6.311   9.116
  304   3HD2  LEU  29          1HD2      LEU  29   2.819  -7.766   9.865
  305    QB   LEU  29           QB       LEU  29  -0.822  -8.163   8.942
  306    QD1  LEU  29           QD1      LEU  29   0.768  -9.177  11.016
  307    QD2  LEU  29           QD2      LEU  29   2.325  -7.321   9.103
  308    QQD  LEU  29           QQD      LEU  29   1.546  -8.249  10.060
  309    H    CYS  30           HN       CYS  30   1.019  -5.188   8.305
  310    HA   CYS  30           HA       CYS  30   0.424  -4.000   5.729
  311   1HB   CYS  30          2HB       CYS  30   2.970  -4.376   7.315
  312   2HB   CYS  30          3HB       CYS  30   2.783  -3.281   5.938
  313    QB   CYS  30           QB       CYS  30   2.876  -3.828   6.626
  314    H    GLN  31           HN       GLN  31   0.746  -4.917   3.764
  315    HA   GLN  31           HA       GLN  31   2.514  -7.315   3.500
  316   1HB   GLN  31          2HB       GLN  31  -0.386  -6.993   2.671
  317   2HB   GLN  31          3HB       GLN  31   0.681  -8.067   1.762
  318   1HG   GLN  31          2HG       GLN  31   0.620  -9.685   3.296
  319   2HG   GLN  31          3HG       GLN  31   0.989  -8.586   4.624
  320   1HE2  GLN  31          2HE2      GLN  31  -2.332  -8.136   5.668
  321   2HE2  GLN  31          1HE2      GLN  31  -0.689  -7.579   5.798
  322    QB   GLN  31           QB       GLN  31   0.147  -7.530   2.217
  323    QG   GLN  31           QG       GLN  31   0.804  -9.135   3.960
  324    QE2  GLN  31           QE2      GLN  31  -1.510  -7.857   5.733
  325    H    THR  32           HN       THR  32   2.932  -7.746   1.125
  326    HA   THR  32           HA       THR  32   3.837  -5.238  -0.074
  327    HB   THR  32           HB       THR  32   5.165  -6.829  -1.478
  328    HG1  THR  32          1HG       THR  32   5.045  -9.028  -0.913
  329   1HG2  THR  32          3HG2      THR  32   6.053  -5.976   0.684
  330   2HG2  THR  32          1HG2      THR  32   5.394  -7.399   1.521
  331   3HG2  THR  32          2HG2      THR  32   6.664  -7.593   0.297
  332    QG2  THR  32           QG2      THR  32   6.037  -6.989   0.834
  333    H    PHE  33           HN       PHE  33   3.542  -4.969  -2.471
  334    HA   PHE  33           HA       PHE  33   1.930  -6.754  -3.991
  335   1HB   PHE  33          2HB       PHE  33   0.008  -5.474  -4.423
  336   2HB   PHE  33          3HB       PHE  33   0.122  -5.480  -2.682
  337    HD1  PHE  33          2HD       PHE  33   1.517  -3.366  -1.662
  338    HD2  PHE  33          1HD       PHE  33  -0.363  -3.459  -5.545
  339    HE1  PHE  33          2HE       PHE  33   1.490  -0.875  -1.738
  340    HE2  PHE  33          1HE       PHE  33  -0.055  -1.036  -5.728
  341    HZ   PHE  33           HZ       PHE  33   0.673   0.296  -3.755
  342    QB   PHE  33           QB       PHE  33   0.065  -5.477  -3.552
  343    QR   PHE  33           QR       PHE  33   0.647  -2.184  -3.668
  344    H    VAL  34           HN       VAL  34   1.513  -5.501  -6.259
  345    HA   VAL  34           HA       VAL  34   4.051  -4.098  -6.976
  346    HB   VAL  34           HB       VAL  34   1.889  -5.428  -8.666
  347   1HG1  VAL  34          1HG1      VAL  34   4.432  -3.937  -9.461
  348   2HG1  VAL  34          2HG1      VAL  34   3.467  -4.957 -10.562
  349   3HG1  VAL  34          3HG1      VAL  34   2.781  -3.477  -9.902
  350   1HG2  VAL  34          2HG2      VAL  34   3.468  -7.004  -7.497
  351   2HG2  VAL  34          3HG2      VAL  34   3.623  -7.029  -9.261
  352   3HG2  VAL  34          1HG2      VAL  34   4.821  -6.163  -8.283
  353    QG1  VAL  34           QG1      VAL  34   3.560  -4.123  -9.975
  354    QG2  VAL  34           QG2      VAL  34   3.970  -6.732  -8.347
  355    QQG  VAL  34           QQG      VAL  34   3.765  -5.428  -9.161
  356    H    TYR  35           HN       TYR  35   3.940  -1.925  -7.225
  357    HA   TYR  35           HA       TYR  35   1.322  -0.571  -7.688
  358   1HB   TYR  35          2HB       TYR  35   2.379   0.157  -5.636
  359   2HB   TYR  35          3HB       TYR  35   3.951   0.254  -6.422
  360    HD1  TYR  35           HD1      TYR  35   0.495   1.712  -6.968
  361    HD2  TYR  35           HD2      TYR  35   4.738   2.406  -6.713
  362    HE1  TYR  35           HE1      TYR  35   0.213   4.116  -7.727
  363    HE2  TYR  35           HE2      TYR  35   4.292   4.881  -7.047
  364    HH   TYR  35           HH       TYR  35   1.274   5.868  -8.537
  365    QB   TYR  35           QB       TYR  35   3.165   0.205  -6.029
  366    QR   TYR  35           QR       TYR  35   2.434   3.279  -7.114
  367    H    GLY  36           HN       GLY  36   1.303   0.934  -9.345
  368   1HA   GLY  36          1HA       GLY  36   2.755   0.295 -11.712
  369   2HA   GLY  36          2HA       GLY  36   1.668   1.669 -11.490
  370    QA   GLY  36           QA       GLY  36   2.211   0.982 -11.601
  371    H    GLY  37           HN       GLY  37   2.605   3.569 -10.188
  372   1HA   GLY  37          1HA       GLY  37   5.182   4.054  -9.523
  373   2HA   GLY  37          2HA       GLY  37   5.266   4.220 -11.285
  374    QA   GLY  37           QA       GLY  37   5.224   4.137 -10.404
  375    H    CYS  38           HN       CYS  38   2.554   5.341 -11.523
  376    HA   CYS  38           HA       CYS  38   2.893   8.002 -10.221
  377   1HB   CYS  38          2HB       CYS  38   1.788   8.968 -12.241
  378   2HB   CYS  38          3HB       CYS  38   3.461   8.486 -12.417
  379    QB   CYS  38           QB       CYS  38   2.625   8.727 -12.329
  380    H    ARG  39           HN       ARG  39   0.773   9.211 -10.173
  381    HA   ARG  39           HA       ARG  39  -1.254   9.410  -9.167
  382   1HB   ARG  39          2HB       ARG  39  -1.893   7.044 -10.974
  383   2HB   ARG  39          3HB       ARG  39  -3.074   7.817  -9.932
  384   1HG   ARG  39          2HG       ARG  39  -3.349   8.650 -12.115
  385   2HG   ARG  39          3HG       ARG  39  -2.867   9.954 -11.036
  386   1HD   ARG  39          2HD       ARG  39  -0.727   8.555 -12.647
  387   2HD   ARG  39          3HD       ARG  39  -1.840   9.558 -13.539
  388    HE   ARG  39           HE       ARG  39   0.293  10.453 -11.816
  389   1HH1  ARG  39          2HH2      ARG  39  -2.875  11.353 -13.047
  390   2HH1  ARG  39          1HH2      ARG  39  -2.603  13.068 -12.983
  391   1HH2  ARG  39          2HH1      ARG  39   0.677  12.728 -11.623
  392   2HH2  ARG  39          1HH1      ARG  39  -0.538  13.856 -12.117
  393    QB   ARG  39           QB       ARG  39  -2.483   7.430 -10.453
  394    QG   ARG  39           QG       ARG  39  -3.108   9.302 -11.576
  395    QD   ARG  39           QD       ARG  39  -1.283   9.056 -13.093
  396    QH1  ARG  39           QH2      ARG  39  -2.739  12.211 -13.015
  397    QH2  ARG  39           QH1      ARG  39   0.069  13.292 -11.870
  398    H    ALA  40           HN       ALA  40   0.466   8.500  -7.402
  399    HA   ALA  40           HA       ALA  40  -0.107   5.939  -6.300
  400   1HB   ALA  40          2HB       ALA  40   1.990   7.121  -5.977
  401   2HB   ALA  40          3HB       ALA  40   1.152   8.236  -4.873
  402   3HB   ALA  40          1HB       ALA  40   1.243   6.489  -4.507
  403    QB   ALA  40           QB       ALA  40   1.462   7.282  -5.119
  404    H    LYS  41           HN       LYS  41  -1.709   5.401  -4.749
  405    HA   LYS  41           HA       LYS  41  -3.477   7.415  -3.509
  406   1HB   LYS  41          2HB       LYS  41  -3.413   4.400  -3.228
  407   2HB   LYS  41          3HB       LYS  41  -4.690   5.445  -2.654
  408   1HG   LYS  41          2HG       LYS  41  -4.011   5.216  -5.616
  409   2HG   LYS  41          3HG       LYS  41  -5.121   4.156  -4.732
  410   1HD   LYS  41          2HD       LYS  41  -6.028   6.678  -4.015
  411   2HD   LYS  41          3HD       LYS  41  -5.524   6.888  -5.716
  412   1HE   LYS  41          2HE       LYS  41  -6.819   4.718  -6.204
  413   2HE   LYS  41          3HE       LYS  41  -7.398   4.777  -4.525
  414   1HZ   LYS  41          1HZ       LYS  41  -8.416   6.921  -5.081
  415   2HZ   LYS  41          2HZ       LYS  41  -7.951   6.739  -6.655
  416   3HZ   LYS  41          3HZ       LYS  41  -9.013   5.682  -5.980
  417    QB   LYS  41           QB       LYS  41  -4.052   4.923  -2.941
  418    QG   LYS  41           QG       LYS  41  -4.566   4.686  -5.174
  419    QD   LYS  41           QD       LYS  41  -5.776   6.783  -4.866
  420    QE   LYS  41           QE       LYS  41  -7.108   4.747  -5.364
  421    QZ   LYS  41           QZ       LYS  41  -8.460   6.447  -5.905
  422    H    ARG  42           HN       ARG  42  -3.960   6.494  -1.112
  423    HA   ARG  42           HA       ARG  42  -1.621   7.572   0.273
  424   1HB   ARG  42          2HB       ARG  42  -4.523   7.028   1.023
  425   2HB   ARG  42          3HB       ARG  42  -3.314   7.538   2.216
  426   1HG   ARG  42          2HG       ARG  42  -2.791   9.525   0.988
  427   2HG   ARG  42          3HG       ARG  42  -3.866   9.109  -0.345
  428   1HD   ARG  42          2HD       ARG  42  -4.936   9.404   2.488
  429   2HD   ARG  42          3HD       ARG  42  -4.646  10.815   1.443
  430    HE   ARG  42           HE       ARG  42  -6.180   8.777   0.088
  431   1HH1  ARG  42          2HH2      ARG  42  -6.534  11.299   2.517
  432   2HH1  ARG  42          1HH2      ARG  42  -8.114  11.809   2.011
  433   1HH2  ARG  42          2HH1      ARG  42  -8.269   9.451  -0.659
  434   2HH2  ARG  42          1HH1      ARG  42  -9.127  10.712   0.162
  435    QB   ARG  42           QB       ARG  42  -3.918   7.283   1.620
  436    QG   ARG  42           QG       ARG  42  -3.329   9.317   0.321
  437    QD   ARG  42           QD       ARG  42  -4.791  10.109   1.965
  438    QH1  ARG  42           QH2      ARG  42  -7.324  11.554   2.264
  439    QH2  ARG  42           QH1      ARG  42  -8.698  10.082  -0.248
  440    H    ASN  43           HN       ASN  43  -3.492   4.532   0.204
  441    HA   ASN  43           HA       ASN  43  -2.000   3.351   2.407
  442   1HB   ASN  43          2HB       ASN  43  -4.361   2.817   1.827
  443   2HB   ASN  43          3HB       ASN  43  -3.817   2.138   0.297
  444   1HD2  ASN  43          2HD2      ASN  43  -4.095  -0.835   2.558
  445   2HD2  ASN  43          1HD2      ASN  43  -4.935   0.028   1.288
  446    QB   ASN  43           QB       ASN  43  -4.089   2.477   1.062
  447    QD2  ASN  43           QD2      ASN  43  -4.515  -0.403   1.923
  448    H    ASN  44           HN       ASN  44   0.050   4.154   1.172
  449    HA   ASN  44           HA       ASN  44   1.204   1.886  -0.368
  450   1HB   ASN  44          2HB       ASN  44   0.355   3.582  -1.967
  451   2HB   ASN  44          3HB       ASN  44   1.428   4.787  -1.260
  452   1HD2  ASN  44          2HD2      ASN  44   3.098   3.067  -4.236
  453   2HD2  ASN  44          1HD2      ASN  44   1.508   3.784  -4.056
  454    QB   ASN  44           QB       ASN  44   0.891   4.184  -1.613
  455    QD2  ASN  44           QD2      ASN  44   2.303   3.425  -4.146
  456    H    PHE  45           HN       PHE  45   2.759   1.275   1.059
  457    HA   PHE  45           HA       PHE  45   4.552   3.358   2.233
  458   1HB   PHE  45          2HB       PHE  45   3.873   0.597   3.287
  459   2HB   PHE  45          3HB       PHE  45   4.762   1.865   4.118
  460    HD1  PHE  45          2HD       PHE  45   3.506   4.159   4.421
  461    HD2  PHE  45          1HD       PHE  45   1.512   0.426   3.610
  462    HE1  PHE  45          2HE       PHE  45   1.395   5.108   5.225
  463    HE2  PHE  45          1HE       PHE  45  -0.571   1.317   4.631
  464    HZ   PHE  45           HZ       PHE  45  -0.622   3.621   5.519
  465    QB   PHE  45           QB       PHE  45   4.318   1.231   3.703
  466    QR   PHE  45           QR       PHE  45   1.460   2.752   4.472
  467    H    LYS  46           HN       LYS  46   6.770   2.652   2.534
  468    HA   LYS  46           HA       LYS  46   7.759   1.059   0.243
  469   1HB   LYS  46          2HB       LYS  46   8.746   3.154   0.335
  470   2HB   LYS  46          3HB       LYS  46   8.805   3.201   2.103
  471   1HG   LYS  46          2HG       LYS  46  10.584   1.756   2.257
  472   2HG   LYS  46          3HG       LYS  46  10.410   1.186   0.572
  473   1HD   LYS  46          2HD       LYS  46  11.230   3.242  -0.333
  474   2HD   LYS  46          3HD       LYS  46  11.153   4.058   1.245
  475   1HE   LYS  46          2HE       LYS  46  12.914   2.606   2.145
  476   2HE   LYS  46          3HE       LYS  46  12.954   1.647   0.656
  477   1HZ   LYS  46          3HZ       LYS  46  13.664   4.505   0.829
  478   2HZ   LYS  46          1HZ       LYS  46  14.735   3.262   0.808
  479   3HZ   LYS  46          2HZ       LYS  46  13.793   3.545  -0.504
  480    QB   LYS  46           QB       LYS  46   8.775   3.177   1.219
  481    QG   LYS  46           QG       LYS  46  10.497   1.471   1.415
  482    QD   LYS  46           QD       LYS  46  11.192   3.650   0.456
  483    QE   LYS  46           QE       LYS  46  12.934   2.126   1.400
  484    QZ   LYS  46           QZ       LYS  46  14.064   3.771   0.378
  485    H    SER  47           HN       SER  47   7.106   0.741   3.683
  486    HA   SER  47           HA       SER  47   8.232  -1.951   3.656
  487   1HB   SER  47          2HB       SER  47   9.669  -1.599   5.614
  488   2HB   SER  47          3HB       SER  47  10.181  -0.544   4.289
  489    HG   SER  47           HG       SER  47  10.056   0.789   6.022
  490    QB   SER  47           QB       SER  47   9.925  -1.071   4.951
  491    H    ALA  48           HN       ALA  48   7.605  -3.157   5.646
  492    HA   ALA  48           HA       ALA  48   4.993  -2.494   6.617
  493   1HB   ALA  48          2HB       ALA  48   5.714  -4.809   6.529
  494   2HB   ALA  48          3HB       ALA  48   6.981  -4.487   7.745
  495   3HB   ALA  48          1HB       ALA  48   5.265  -4.339   8.176
  496    QB   ALA  48           QB       ALA  48   5.987  -4.545   7.483
  497    H    GLU  49           HN       GLU  49   8.294  -1.883   7.824
  498    HA   GLU  49           HA       GLU  49   7.801  -0.728  10.345
  499   1HB   GLU  49          2HB       GLU  49   9.747  -0.256   8.070
  500   2HB   GLU  49          3HB       GLU  49   9.766   0.846   9.429
  501   1HG   GLU  49          2HG       GLU  49   9.867  -2.145   9.954
  502   2HG   GLU  49          3HG       GLU  49  11.301  -1.320   9.320
  503    QB   GLU  49           QB       GLU  49   9.756   0.295   8.749
  504    QG   GLU  49           QG       GLU  49  10.584  -1.733   9.637
  505    H    ASP  50           HN       ASP  50   7.957   0.924   7.193
  506    HA   ASP  50           HA       ASP  50   7.172   3.459   8.084
  507   1HB   ASP  50          2HB       ASP  50   8.288   3.229   6.002
  508   2HB   ASP  50          3HB       ASP  50   7.215   1.940   5.452
  509    QB   ASP  50           QB       ASP  50   7.751   2.584   5.727
  510    H    CYS  51           HN       CYS  51   5.219   0.955   6.472
  511    HA   CYS  51           HA       CYS  51   2.635   2.029   6.663
  512   1HB   CYS  51          2HB       CYS  51   3.167  -0.012   5.428
  513   2HB   CYS  51          3HB       CYS  51   3.678  -0.786   6.909
  514    QB   CYS  51           QB       CYS  51   3.423  -0.399   6.169
  515    H    MET  52           HN       MET  52   4.171  -0.078   9.159
  516    HA   MET  52           HA       MET  52   2.040   0.097  11.034
  517   1HB   MET  52          2HB       MET  52   5.024  -0.463  11.280
  518   2HB   MET  52          3HB       MET  52   3.989  -0.361  12.701
  519   1HG   MET  52          2HG       MET  52   3.573  -2.333  10.434
  520   2HG   MET  52          3HG       MET  52   4.311  -2.653  12.006
  521   1HE   MET  52          3HE       MET  52   2.206  -4.622  11.207
  522   2HE   MET  52          1HE       MET  52   2.838  -4.566  12.873
  523   3HE   MET  52          2HE       MET  52   1.084  -4.638  12.592
  524    QB   MET  52           QB       MET  52   4.506  -0.412  11.991
  525    QG   MET  52           QG       MET  52   3.942  -2.493  11.220
  526    QE   MET  52           QE       MET  52   2.043  -4.608  12.224
  527    H    ARG  53           HN       ARG  53   5.016   2.113  10.701
  528    HA   ARG  53           HA       ARG  53   4.453   3.712  13.002
  529   1HB   ARG  53          2HB       ARG  53   6.052   4.256  10.486
  530   2HB   ARG  53          3HB       ARG  53   5.990   5.380  11.859
  531   1HG   ARG  53          2HG       ARG  53   6.871   3.731  13.388
  532   2HG   ARG  53          3HG       ARG  53   6.704   2.431  12.207
  533   1HD   ARG  53          2HD       ARG  53   8.288   3.591  10.681
  534   2HD   ARG  53          3HD       ARG  53   8.652   4.755  11.965
  535    HE   ARG  53           HE       ARG  53   9.459   1.922  11.730
  536   1HH1  ARG  53          2HH2      ARG  53   8.925   4.443  14.155
  537   2HH1  ARG  53          1HH2      ARG  53   9.926   3.655  15.352
  538   1HH2  ARG  53          2HH1      ARG  53  10.738   0.981  13.144
  539   2HH2  ARG  53          1HH1      ARG  53  11.005   1.552  14.783
  540    QB   ARG  53           QB       ARG  53   6.021   4.818  11.173
  541    QG   ARG  53           QG       ARG  53   6.788   3.081  12.798
  542    QD   ARG  53           QD       ARG  53   8.470   4.173  11.323
  543    QH1  ARG  53           QH2      ARG  53   9.425   4.049  14.754
  544    QH2  ARG  53           QH1      ARG  53  10.872   1.266  13.964
  545    H    THR  54           HN       THR  54   3.374   4.013   9.613
  546    HA   THR  54           HA       THR  54   1.943   6.467  10.045
  547    HB   THR  54           HB       THR  54   1.491   4.237   8.008
  548    HG1  THR  54          1HG       THR  54   3.502   5.125   7.762
  549   1HG2  THR  54          1HG2      THR  54   0.313   7.014   8.321
  550   2HG2  THR  54          2HG2      THR  54   0.435   6.246   6.739
  551   3HG2  THR  54          3HG2      THR  54  -0.519   5.472   8.005
  552    QG2  THR  54           QG2      THR  54   0.076   6.244   7.688
  553    H    CYS  55           HN       CYS  55   0.851   3.048  10.123
  554    HA   CYS  55           HA       CYS  55  -1.921   4.020  10.723
  555   1HB   CYS  55          2HB       CYS  55  -1.502   3.084   8.564
  556   2HB   CYS  55          3HB       CYS  55  -0.852   1.593   9.261
  557    QB   CYS  55           QB       CYS  55  -1.177   2.339   8.913
  558    H    GLY  56           HN       GLY  56   0.547   1.963  12.057
  559   1HA   GLY  56          1HA       GLY  56   0.697   0.841  13.986
  560   2HA   GLY  56          2HA       GLY  56  -0.511   1.994  14.572
  561    QA   GLY  56           QA       GLY  56   0.093   1.418  14.279
  562    H    GLY  57           HN       GLY  57  -2.264   1.012  15.464
  563   1HA   GLY  57          1HA       GLY  57  -3.204  -1.660  14.583
  564   2HA   GLY  57          2HA       GLY  57  -2.433  -1.525  16.175
  565    QA   GLY  57           QA       GLY  57  -2.818  -1.593  15.379
  566    H    ALA  58           HN       ALA  58  -4.848   0.016  14.146
  567    HA   ALA  58           HA       ALA  58  -7.124   0.081  14.511
  568   1HB   ALA  58          3HB       ALA  58  -7.062  -1.127  16.702
  569   2HB   ALA  58          1HB       ALA  58  -6.754   0.443  17.487
  570   3HB   ALA  58          2HB       ALA  58  -8.251   0.185  16.582
  571    QB   ALA  58           QB       ALA  58  -7.356  -0.167  16.924
   
  No H/Q in entry =         571
  Start of MODEL   13
    1    H    ARG   1           HN       ARG   1  -5.536   3.978  14.674
    2    HA   ARG   1           HA       ARG   1  -4.758   3.873  12.311
    3   1HB   ARG   1          2HB       ARG   1  -5.869   1.881  13.394
    4   2HB   ARG   1          3HB       ARG   1  -7.429   2.510  12.832
    5   1HG   ARG   1          2HG       ARG   1  -6.199   2.478  10.454
    6   2HG   ARG   1          3HG       ARG   1  -5.134   1.337  11.262
    7   1HD   ARG   1          2HD       ARG   1  -8.169   0.937  11.279
    8   2HD   ARG   1          3HD       ARG   1  -7.226   0.603   9.852
    9    HE   ARG   1           HE       ARG   1  -6.128  -1.167  10.770
   10   1HH1  ARG   1          2HH2      ARG   1  -8.218   0.263  13.229
   11   2HH1  ARG   1          1HH2      ARG   1  -8.135  -1.099  14.302
   12   1HH2  ARG   1          2HH1      ARG   1  -6.012  -2.972  12.133
   13   2HH2  ARG   1          1HH1      ARG   1  -6.786  -2.965  13.691
   14    QB   ARG   1           QB       ARG   1  -6.649   2.196  13.113
   15    QG   ARG   1           QG       ARG   1  -5.667   1.908  10.858
   16    QD   ARG   1           QD       ARG   1  -7.698   0.770  10.565
   17    QH1  ARG   1           QH2      ARG   1  -8.176  -0.418  13.766
   18    QH2  ARG   1           QH1      ARG   1  -6.399  -2.968  12.912
   19    HA   PRO   2           HA       PRO   2  -7.567   6.644   9.956
   20   1HB   PRO   2          2HB       PRO   2  -6.299   6.374   7.472
   21   2HB   PRO   2          3HB       PRO   2  -5.951   7.612   8.701
   22   1HG   PRO   2          2HG       PRO   2  -4.346   5.249   7.933
   23   2HG   PRO   2          3HG       PRO   2  -3.849   6.680   8.854
   24   1HD   PRO   2          2HD       PRO   2  -4.445   4.086   9.901
   25   2HD   PRO   2          3HD       PRO   2  -4.096   5.575  10.822
   26    QB   PRO   2           QB       PRO   2  -6.125   6.993   8.086
   27    QG   PRO   2           QG       PRO   2  -4.097   5.965   8.393
   28    QD   PRO   2           QD       PRO   2  -4.270   4.830  10.361
   29    H    ASP   3           HN       ASP   3  -8.836   6.438   7.853
   30    HA   ASP   3           HA       ASP   3 -10.123   3.875   7.585
   31   1HB   ASP   3          2HB       ASP   3 -11.589   5.262   6.103
   32   2HB   ASP   3          3HB       ASP   3 -11.372   6.092   7.645
   33    QB   ASP   3           QB       ASP   3 -11.480   5.677   6.874
   34    H    PHE   4           HN       PHE   4  -8.089   6.131   5.727
   35    HA   PHE   4           HA       PHE   4  -8.200   4.695   3.355
   36   1HB   PHE   4          2HB       PHE   4  -6.335   5.853   2.547
   37   2HB   PHE   4          3HB       PHE   4  -7.234   6.931   3.598
   38    HD1  PHE   4          1HD       PHE   4  -4.184   4.719   3.442
   39    HD2  PHE   4          2HD       PHE   4  -6.139   8.027   5.391
   40    HE1  PHE   4          1HE       PHE   4  -2.178   5.078   4.830
   41    HE2  PHE   4          2HE       PHE   4  -4.104   8.423   6.738
   42    HZ   PHE   4           HZ       PHE   4  -2.206   6.827   6.608
   43    QB   PHE   4           QB       PHE   4  -6.784   6.392   3.073
   44    QR   PHE   4           QR       PHE   4  -4.151   6.562   5.100
   45    H    CYS   5           HN       CYS   5  -6.517   3.722   6.266
   46    HA   CYS   5           HA       CYS   5  -4.617   1.933   5.066
   47   1HB   CYS   5          2HB       CYS   5  -5.940   2.065   7.772
   48   2HB   CYS   5          3HB       CYS   5  -5.096   0.608   7.270
   49    QB   CYS   5           QB       CYS   5  -5.518   1.337   7.521
   50    H    LEU   6           HN       LEU   6  -8.099   1.825   5.081
   51    HA   LEU   6           HA       LEU   6  -8.143  -1.072   4.516
   52   1HB   LEU   6          2HB       LEU   6 -10.391   0.950   4.755
   53   2HB   LEU   6          3HB       LEU   6 -10.530  -0.798   4.611
   54    HG   LEU   6           HG       LEU   6  -8.781  -0.443   6.811
   55   1HD1  LEU   6          3HD1      LEU   6 -10.877   1.683   6.970
   56   2HD1  LEU   6          1HD1      LEU   6 -10.107   0.937   8.387
   57   3HD1  LEU   6          2HD1      LEU   6  -9.106   1.776   7.221
   58   1HD2  LEU   6          1HD2      LEU   6 -10.631  -2.137   6.520
   59   2HD2  LEU   6          2HD2      LEU   6 -10.585  -1.388   8.122
   60   3HD2  LEU   6          3HD2      LEU   6 -11.792  -0.859   6.928
   61    QB   LEU   6           QB       LEU   6 -10.460   0.076   4.683
   62    QD1  LEU   6           QD1      LEU   6 -10.030   1.466   7.526
   63    QD2  LEU   6           QD2      LEU   6 -11.003  -1.461   7.190
   64    QQD  LEU   6           QQD      LEU   6 -10.516   0.002   7.358
   65    H    GLU   7           HN       GLU   7  -7.322   1.609   2.606
   66    HA   GLU   7           HA       GLU   7  -8.883   1.220   0.290
   67   1HB   GLU   7          2HB       GLU   7  -6.005   2.080   0.581
   68   2HB   GLU   7          3HB       GLU   7  -6.933   2.299  -0.882
   69   1HG   GLU   7          2HG       GLU   7  -8.098   3.542   1.540
   70   2HG   GLU   7          3HG       GLU   7  -6.491   4.139   1.110
   71    QB   GLU   7           QB       GLU   7  -6.469   2.190  -0.150
   72    QG   GLU   7           QG       GLU   7  -7.294   3.841   1.325
   73    HA   PRO   8           HA       PRO   8  -6.977  -2.653  -1.040
   74   1HB   PRO   8          2HB       PRO   8  -7.885  -2.828  -3.627
   75   2HB   PRO   8          3HB       PRO   8  -8.969  -2.961  -2.212
   76   1HG   PRO   8          2HG       PRO   8  -8.380  -0.484  -3.863
   77   2HG   PRO   8          3HG       PRO   8  -9.984  -1.157  -3.446
   78   1HD   PRO   8          2HD       PRO   8  -8.848   0.851  -1.996
   79   2HD   PRO   8          3HD       PRO   8  -9.782  -0.448  -1.190
   80    QB   PRO   8           QB       PRO   8  -8.427  -2.894  -2.920
   81    QG   PRO   8           QG       PRO   8  -9.182  -0.820  -3.655
   82    QD   PRO   8           QD       PRO   8  -9.315   0.202  -1.593
   83    HA   PRO   9           HA       PRO   9  -3.194  -1.565  -3.061
   84   1HB   PRO   9          2HB       PRO   9  -2.319  -3.924  -4.109
   85   2HB   PRO   9          3HB       PRO   9  -2.499  -3.638  -2.355
   86   1HG   PRO   9          2HG       PRO   9  -4.458  -4.990  -4.234
   87   2HG   PRO   9          3HG       PRO   9  -3.840  -5.607  -2.671
   88   1HD   PRO   9          2HD       PRO   9  -6.227  -4.314  -2.853
   89   2HD   PRO   9          3HD       PRO   9  -5.154  -4.072  -1.445
   90    QB   PRO   9           QB       PRO   9  -2.409  -3.781  -3.232
   91    QG   PRO   9           QG       PRO   9  -4.149  -5.298  -3.453
   92    QD   PRO   9           QD       PRO   9  -5.690  -4.193  -2.149
   93    H    TYR  10           HN       TYR  10  -4.393  -0.128  -4.515
   94    HA   TYR  10           HA       TYR  10  -4.997  -0.909  -7.237
   95   1HB   TYR  10          2HB       TYR  10  -6.143   0.856  -5.913
   96   2HB   TYR  10          3HB       TYR  10  -4.674   1.814  -5.934
   97    HD1  TYR  10           HD1      TYR  10  -7.308   0.297  -8.117
   98    HD2  TYR  10           HD2      TYR  10  -4.142   3.209  -7.832
   99    HE1  TYR  10           HE1      TYR  10  -8.127   1.386 -10.179
  100    HE2  TYR  10           HE2      TYR  10  -5.060   4.389  -9.813
  101    HH   TYR  10           HH       TYR  10  -7.849   3.148 -11.652
  102    QB   TYR  10           QB       TYR  10  -5.408   1.335  -5.923
  103    QR   TYR  10           QR       TYR  10  -6.159   2.320  -8.985
  104    H    THR  11           HN       THR  11  -3.444  -1.244  -8.857
  105    HA   THR  11           HA       THR  11  -0.753  -0.237  -8.505
  106    HB   THR  11           HB       THR  11  -2.103  -1.855 -10.664
  107    HG1  THR  11          1HG       THR  11   0.087  -2.286  -8.849
  108   1HG2  THR  11          3HG2      THR  11  -0.431  -0.339 -11.883
  109   2HG2  THR  11          1HG2      THR  11   0.815  -1.112 -10.874
  110   3HG2  THR  11          2HG2      THR  11  -0.158  -2.083 -11.966
  111    QG2  THR  11           QG2      THR  11   0.076  -1.178 -11.574
  112    H    GLY  12           HN       GLY  12  -3.533   0.706 -10.410
  113   1HA   GLY  12          1HA       GLY  12  -3.973   2.834 -11.295
  114   2HA   GLY  12          2HA       GLY  12  -2.255   3.264 -11.248
  115    QA   GLY  12           QA       GLY  12  -3.114   3.049 -11.271
  116    HA   PRO  13           HA       PRO  13  -3.331   1.287 -15.460
  117   1HB   PRO  13          2HB       PRO  13  -4.126   3.379 -16.999
  118   2HB   PRO  13          3HB       PRO  13  -5.270   2.511 -15.942
  119   1HG   PRO  13          2HG       PRO  13  -3.802   5.091 -15.320
  120   2HG   PRO  13          3HG       PRO  13  -5.557   4.773 -15.182
  121   1HD   PRO  13          2HD       PRO  13  -3.858   4.565 -13.040
  122   2HD   PRO  13          3HD       PRO  13  -5.250   3.456 -13.243
  123    QB   PRO  13           QB       PRO  13  -4.698   2.945 -16.471
  124    QG   PRO  13           QG       PRO  13  -4.680   4.932 -15.251
  125    QD   PRO  13           QD       PRO  13  -4.554   4.011 -13.142
  126    H    CYS  14           HN       CYS  14  -0.979   1.454 -14.437
  127    HA   CYS  14           HA       CYS  14   0.691   3.377 -16.014
  128   1HB   CYS  14          2HB       CYS  14   0.945   2.521 -13.138
  129   2HB   CYS  14          3HB       CYS  14   2.114   3.534 -14.006
  130    QB   CYS  14           QB       CYS  14   1.530   3.027 -13.572
  131    H    LYS  15           HN       LYS  15   2.611   2.484 -16.741
  132    HA   LYS  15           HA       LYS  15   2.442  -0.459 -17.029
  133   1HB   LYS  15          2HB       LYS  15   3.676   1.764 -18.640
  134   2HB   LYS  15          3HB       LYS  15   4.415   0.157 -18.725
  135   1HG   LYS  15          2HG       LYS  15   2.338  -0.895 -19.315
  136   2HG   LYS  15          3HG       LYS  15   1.449   0.632 -19.212
  137   1HD   LYS  15          2HD       LYS  15   2.372   1.466 -21.179
  138   2HD   LYS  15          3HD       LYS  15   3.862   0.519 -21.025
  139   1HE   LYS  15          2HE       LYS  15   2.727  -1.549 -21.622
  140   2HE   LYS  15          3HE       LYS  15   1.148  -0.747 -21.631
  141   1HZ   LYS  15          2HZ       LYS  15   3.357  -0.122 -23.484
  142   2HZ   LYS  15          3HZ       LYS  15   2.067  -1.077 -23.830
  143   3HZ   LYS  15          1HZ       LYS  15   1.839   0.519 -23.520
  144    QB   LYS  15           QB       LYS  15   4.045   0.961 -18.683
  145    QG   LYS  15           QG       LYS  15   1.893  -0.131 -19.264
  146    QD   LYS  15           QD       LYS  15   3.117   0.992 -21.102
  147    QE   LYS  15           QE       LYS  15   1.937  -1.148 -21.626
  148    QZ   LYS  15           QZ       LYS  15   2.421  -0.227 -23.611
  149    H    ALA  16           HN       ALA  16   4.637   1.874 -15.638
  150    HA   ALA  16           HA       ALA  16   6.872   0.234 -15.102
  151   1HB   ALA  16          3HB       ALA  16   5.656   2.603 -13.605
  152   2HB   ALA  16          1HB       ALA  16   7.261   1.920 -13.266
  153   3HB   ALA  16          2HB       ALA  16   6.918   2.652 -14.846
  154    QB   ALA  16           QB       ALA  16   6.611   2.392 -13.906
  155    H    ARG  17           HN       ARG  17   7.499  -0.580 -12.831
  156    HA   ARG  17           HA       ARG  17   5.257  -1.769 -11.330
  157   1HB   ARG  17          2HB       ARG  17   7.595  -3.463 -11.494
  158   2HB   ARG  17          3HB       ARG  17   5.921  -3.913 -11.742
  159   1HG   ARG  17          2HG       ARG  17   7.826  -2.780 -13.849
  160   2HG   ARG  17          3HG       ARG  17   7.540  -4.495 -13.575
  161   1HD   ARG  17          2HD       ARG  17   5.397  -2.541 -14.323
  162   2HD   ARG  17          3HD       ARG  17   6.242  -3.532 -15.512
  163    HE   ARG  17           HE       ARG  17   5.306  -5.429 -13.867
  164   1HH1  ARG  17          2HH2      ARG  17   3.696  -2.561 -15.293
  165   2HH1  ARG  17          1HH2      ARG  17   2.101  -3.221 -15.118
  166   1HH2  ARG  17          2HH1      ARG  17   3.180  -6.337 -13.771
  167   2HH2  ARG  17          1HH1      ARG  17   1.808  -5.451 -14.335
  168    QB   ARG  17           QB       ARG  17   6.758  -3.688 -11.618
  169    QG   ARG  17           QG       ARG  17   7.683  -3.638 -13.712
  170    QD   ARG  17           QD       ARG  17   5.819  -3.037 -14.918
  171    QH1  ARG  17           QH2      ARG  17   2.899  -2.891 -15.205
  172    QH2  ARG  17           QH1      ARG  17   2.494  -5.894 -14.053
  173    H    ILE  18           HN       ILE  18   5.637  -1.227  -9.201
  174    HA   ILE  18           HA       ILE  18   8.431  -0.916  -8.200
  175    HB   ILE  18           HB       ILE  18   6.103   0.987  -7.642
  176   1HG1  ILE  18          2HG1      ILE  18   8.439   1.206  -9.557
  177   2HG1  ILE  18          3HG1      ILE  18   6.702   1.336  -9.900
  178   1HG2  ILE  18          3HG2      ILE  18   7.796   0.721  -5.807
  179   2HG2  ILE  18          1HG2      ILE  18   9.064   1.201  -6.955
  180   3HG2  ILE  18          2HG2      ILE  18   7.781   2.340  -6.490
  181   1HD1  ILE  18          3HD1      ILE  18   6.679   3.427  -8.463
  182   2HD1  ILE  18          1HD1      ILE  18   8.459   3.355  -8.488
  183   3HD1  ILE  18          2HD1      ILE  18   7.561   3.533 -10.004
  184    QG1  ILE  18           QG1      ILE  18   7.570   1.271  -9.729
  185    QG2  ILE  18           QG2      ILE  18   8.214   1.421  -6.418
  186    QD1  ILE  18           QD1      ILE  18   7.566   3.439  -8.985
  187    H    ILE  19           HN       ILE  19   8.588  -2.435  -6.527
  188    HA   ILE  19           HA       ILE  19   6.227  -3.568  -5.331
  189    HB   ILE  19           HB       ILE  19   9.099  -3.551  -4.343
  190   1HG1  ILE  19          2HG1      ILE  19   8.787  -4.679  -6.558
  191   2HG1  ILE  19          3HG1      ILE  19   9.341  -5.741  -5.269
  192   1HG2  ILE  19          1HG2      ILE  19   6.660  -5.117  -3.395
  193   2HG2  ILE  19          2HG2      ILE  19   8.333  -5.559  -2.993
  194   3HG2  ILE  19          3HG2      ILE  19   7.672  -4.014  -2.452
  195   1HD1  ILE  19          3HD1      ILE  19   6.439  -5.582  -6.196
  196   2HD1  ILE  19          1HD1      ILE  19   7.620  -6.790  -6.716
  197   3HD1  ILE  19          2HD1      ILE  19   7.121  -6.725  -5.024
  198    QG1  ILE  19           QG1      ILE  19   9.064  -5.210  -5.914
  199    QG2  ILE  19           QG2      ILE  19   7.555  -4.896  -2.947
  200    QD1  ILE  19           QD1      ILE  19   7.060  -6.365  -5.979
  201    H    ARG  20           HN       ARG  20   5.010  -2.840  -3.684
  202    HA   ARG  20           HA       ARG  20   5.971  -0.716  -1.866
  203   1HB   ARG  20          2HB       ARG  20   3.486  -0.675  -3.655
  204   2HB   ARG  20          3HB       ARG  20   3.642   0.329  -2.220
  205   1HG   ARG  20          2HG       ARG  20   5.442   0.451  -4.688
  206   2HG   ARG  20          3HG       ARG  20   4.173   1.587  -4.214
  207   1HD   ARG  20          2HD       ARG  20   5.715   1.532  -1.957
  208   2HD   ARG  20          3HD       ARG  20   6.950   1.281  -3.168
  209    HE   ARG  20           HE       ARG  20   6.228   3.327  -4.292
  210   1HH1  ARG  20          2HH2      ARG  20   5.206   2.981  -0.920
  211   2HH1  ARG  20          1HH2      ARG  20   4.521   4.530  -0.773
  212   1HH2  ARG  20          2HH1      ARG  20   5.576   5.520  -4.072
  213   2HH2  ARG  20          1HH1      ARG  20   5.008   6.118  -2.542
  214    QB   ARG  20           QB       ARG  20   3.564  -0.173  -2.938
  215    QG   ARG  20           QG       ARG  20   4.808   1.019  -4.451
  216    QD   ARG  20           QD       ARG  20   6.333   1.407  -2.563
  217    QH1  ARG  20           QH2      ARG  20   4.864   3.756  -0.847
  218    QH2  ARG  20           QH1      ARG  20   5.292   5.819  -3.307
  219    H    TYR  21           HN       TYR  21   4.210  -0.450  -0.093
  220    HA   TYR  21           HA       TYR  21   2.891  -3.067   0.394
  221   1HB   TYR  21          2HB       TYR  21   4.107  -1.403   2.575
  222   2HB   TYR  21          3HB       TYR  21   3.384  -2.953   2.737
  223    HD1  TYR  21           HD1      TYR  21   6.297  -1.764   0.538
  224    HD2  TYR  21           HD2      TYR  21   4.939  -4.329   3.725
  225    HE1  TYR  21           HE1      TYR  21   8.345  -3.060   0.343
  226    HE2  TYR  21           HE2      TYR  21   7.163  -5.427   3.729
  227    HH   TYR  21           HH       TYR  21   9.656  -4.653   1.290
  228    QB   TYR  21           QB       TYR  21   3.746  -2.178   2.656
  229    QR   TYR  21           QR       TYR  21   6.686  -3.645   2.084
  230    H    PHE  22           HN       PHE  22   1.318  -2.895   2.189
  231    HA   PHE  22           HA       PHE  22  -0.156  -0.392   2.397
  232   1HB   PHE  22          2HB       PHE  22  -2.178  -1.069   1.392
  233   2HB   PHE  22          3HB       PHE  22  -0.975  -1.168   0.162
  234    HD1  PHE  22          2HD       PHE  22   0.135  -3.780   0.115
  235    HD2  PHE  22          1HD       PHE  22  -3.843  -2.657   1.360
  236    HE1  PHE  22          2HE       PHE  22  -0.661  -6.077  -0.341
  237    HE2  PHE  22          1HE       PHE  22  -4.632  -4.945   0.869
  238    HZ   PHE  22           HZ       PHE  22  -3.040  -6.669   0.034
  239    QB   PHE  22           QB       PHE  22  -1.576  -1.118   0.777
  240    QR   PHE  22           QR       PHE  22  -2.250  -4.365   0.501
  241    H    TYR  23           HN       TYR  23  -1.697  -0.552   4.094
  242    HA   TYR  23           HA       TYR  23  -1.504  -2.856   5.908
  243   1HB   TYR  23          2HB       TYR  23  -1.892  -0.499   6.682
  244   2HB   TYR  23          3HB       TYR  23  -3.452  -0.529   5.873
  245    HD1  TYR  23           HD1      TYR  23  -1.404  -1.924   8.636
  246    HD2  TYR  23           HD2      TYR  23  -5.321  -1.867   6.832
  247    HE1  TYR  23           HE1      TYR  23  -2.337  -3.029  10.628
  248    HE2  TYR  23           HE2      TYR  23  -6.283  -2.853   8.885
  249    HH   TYR  23           HH       TYR  23  -4.224  -4.243  11.346
  250    QB   TYR  23           QB       TYR  23  -2.672  -0.514   6.277
  251    QR   TYR  23           QR       TYR  23  -3.836  -2.418   8.745
  252    H    ASN  24           HN       ASN  24  -2.599  -4.710   5.433
  253    HA   ASN  24           HA       ASN  24  -4.927  -4.610   3.545
  254   1HB   ASN  24          2HB       ASN  24  -3.237  -6.173   2.913
  255   2HB   ASN  24          3HB       ASN  24  -3.216  -6.955   4.502
  256   1HD2  ASN  24          2HD2      ASN  24  -5.280  -9.161   2.445
  257   2HD2  ASN  24          1HD2      ASN  24  -3.600  -8.805   2.815
  258    QB   ASN  24           QB       ASN  24  -3.227  -6.564   3.708
  259    QD2  ASN  24           QD2      ASN  24  -4.440  -8.983   2.630
  260    H    ALA  25           HN       ALA  25  -6.546  -3.917   4.950
  261    HA   ALA  25           HA       ALA  25  -7.086  -4.823   7.537
  262   1HB   ALA  25          3HB       ALA  25  -8.265  -2.977   6.431
  263   2HB   ALA  25          1HB       ALA  25  -9.052  -4.127   5.322
  264   3HB   ALA  25          2HB       ALA  25  -9.408  -4.182   7.063
  265    QB   ALA  25           QB       ALA  25  -8.908  -3.762   6.272
  266    H    LYS  26           HN       LYS  26  -7.119  -6.814   4.635
  267    HA   LYS  26           HA       LYS  26  -9.229  -8.594   5.620
  268   1HB   LYS  26          2HB       LYS  26  -8.293  -8.207   3.173
  269   2HB   LYS  26          3HB       LYS  26  -7.149  -9.480   3.630
  270   1HG   LYS  26          2HG       LYS  26 -10.205  -9.614   3.587
  271   2HG   LYS  26          3HG       LYS  26  -9.092 -10.309   2.402
  272   1HD   LYS  26          2HD       LYS  26  -8.127 -11.713   4.341
  273   2HD   LYS  26          3HD       LYS  26  -9.546 -11.179   5.276
  274   1HE   LYS  26          2HE       LYS  26 -11.058 -12.118   3.550
  275   2HE   LYS  26          3HE       LYS  26  -9.660 -12.675   2.618
  276   1HZ   LYS  26          3HZ       LYS  26 -10.357 -13.563   5.340
  277   2HZ   LYS  26          1HZ       LYS  26 -10.586 -14.422   3.956
  278   3HZ   LYS  26          2HZ       LYS  26  -9.061 -14.083   4.469
  279    QB   LYS  26           QB       LYS  26  -7.721  -8.843   3.401
  280    QG   LYS  26           QG       LYS  26  -9.649  -9.961   2.994
  281    QD   LYS  26           QD       LYS  26  -8.836 -11.446   4.808
  282    QE   LYS  26           QE       LYS  26 -10.359 -12.396   3.084
  283    QZ   LYS  26           QZ       LYS  26 -10.001 -14.023   4.589
  284    H    ALA  27           HN       ALA  27  -5.744  -8.208   5.990
  285    HA   ALA  27           HA       ALA  27  -5.522 -10.729   7.594
  286   1HB   ALA  27          1HB       ALA  27  -3.961 -10.485   5.713
  287   2HB   ALA  27          2HB       ALA  27  -3.400  -8.931   6.365
  288   3HB   ALA  27          3HB       ALA  27  -3.113 -10.430   7.273
  289    QB   ALA  27           QB       ALA  27  -3.491  -9.949   6.450
  290    H    GLY  28           HN       GLY  28  -5.571  -7.244   7.750
  291   1HA   GLY  28          1HA       GLY  28  -5.634  -5.835   9.548
  292   2HA   GLY  28          2HA       GLY  28  -5.383  -7.189  10.661
  293    QA   GLY  28           QA       GLY  28  -5.509  -6.512  10.105
  294    H    LEU  29           HN       LEU  29  -3.160  -6.909   7.967
  295    HA   LEU  29           HA       LEU  29  -1.000  -5.856   9.712
  296   1HB   LEU  29          2HB       LEU  29  -1.354  -8.515   9.550
  297   2HB   LEU  29          3HB       LEU  29  -0.613  -8.297   7.971
  298    HG   LEU  29           HG       LEU  29   1.291  -7.041   9.355
  299   1HD1  LEU  29          1HD1      LEU  29   0.006  -7.007  11.507
  300   2HD1  LEU  29          2HD1      LEU  29   0.022  -8.781  11.513
  301   3HD1  LEU  29          3HD1      LEU  29   1.542  -7.879  11.639
  302   1HD2  LEU  29          1HD2      LEU  29   0.883 -10.048   9.473
  303   2HD2  LEU  29          2HD2      LEU  29   1.617  -9.128   8.137
  304   3HD2  LEU  29          3HD2      LEU  29   2.423  -9.190   9.714
  305    QB   LEU  29           QB       LEU  29  -0.983  -8.406   8.760
  306    QD1  LEU  29           QD1      LEU  29   0.523  -7.889  11.553
  307    QD2  LEU  29           QD2      LEU  29   1.641  -9.455   9.108
  308    QQD  LEU  29           QQD      LEU  29   1.082  -8.672  10.331
  309    H    CYS  30           HN       CYS  30   1.034  -5.441   8.348
  310    HA   CYS  30           HA       CYS  30   0.388  -4.022   5.879
  311   1HB   CYS  30          2HB       CYS  30   2.919  -4.513   7.463
  312   2HB   CYS  30          3HB       CYS  30   2.792  -3.413   6.086
  313    QB   CYS  30           QB       CYS  30   2.856  -3.963   6.775
  314    H    GLN  31           HN       GLN  31   0.694  -4.860   3.861
  315    HA   GLN  31           HA       GLN  31   2.366  -7.298   3.486
  316   1HB   GLN  31          2HB       GLN  31  -0.550  -6.882   2.720
  317   2HB   GLN  31          3HB       GLN  31   0.477  -8.107   1.953
  318   1HG   GLN  31          2HG       GLN  31   0.952  -9.107   4.182
  319   2HG   GLN  31          3HG       GLN  31  -0.148  -7.936   4.939
  320   1HE2  GLN  31          2HE2      GLN  31  -2.073 -11.062   4.457
  321   2HE2  GLN  31          1HE2      GLN  31  -0.679 -10.567   5.396
  322    QB   GLN  31           QB       GLN  31  -0.036  -7.494   2.337
  323    QG   GLN  31           QG       GLN  31   0.402  -8.521   4.561
  324    QE2  GLN  31           QE2      GLN  31  -1.376 -10.815   4.927
  325    H    THR  32           HN       THR  32   2.704  -7.672   1.116
  326    HA   THR  32           HA       THR  32   3.619  -5.113  -0.023
  327    HB   THR  32           HB       THR  32   5.187  -6.394  -1.281
  328    HG1  THR  32          1HG       THR  32   3.779  -8.692  -0.365
  329   1HG2  THR  32          3HG2      THR  32   5.672  -6.045   1.127
  330   2HG2  THR  32          1HG2      THR  32   5.044  -7.665   1.495
  331   3HG2  THR  32          2HG2      THR  32   6.470  -7.479   0.458
  332    QG2  THR  32           QG2      THR  32   5.729  -7.063   1.027
  333    H    PHE  33           HN       PHE  33   3.448  -4.717  -2.391
  334    HA   PHE  33           HA       PHE  33   2.024  -6.561  -4.048
  335   1HB   PHE  33          2HB       PHE  33   0.159  -5.283  -4.690
  336   2HB   PHE  33          3HB       PHE  33   0.099  -5.325  -2.943
  337    HD1  PHE  33          2HD       PHE  33   1.432  -3.195  -1.792
  338    HD2  PHE  33          1HD       PHE  33  -0.422  -3.248  -5.689
  339    HE1  PHE  33          2HE       PHE  33   1.006  -0.757  -1.638
  340    HE2  PHE  33          1HE       PHE  33  -0.833  -0.825  -5.525
  341    HZ   PHE  33           HZ       PHE  33  -0.149   0.424  -3.480
  342    QB   PHE  33           QB       PHE  33   0.129  -5.304  -3.816
  343    QR   PHE  33           QR       PHE  33   0.296  -2.006  -3.661
  344    H    VAL  34           HN       VAL  34   1.994  -5.689  -6.356
  345    HA   VAL  34           HA       VAL  34   4.308  -3.912  -6.911
  346    HB   VAL  34           HB       VAL  34   2.378  -5.381  -8.759
  347   1HG1  VAL  34          2HG1      VAL  34   4.815  -3.640  -9.379
  348   2HG1  VAL  34          3HG1      VAL  34   3.969  -4.666 -10.557
  349   3HG1  VAL  34          1HG1      VAL  34   3.136  -3.293  -9.833
  350   1HG2  VAL  34          1HG2      VAL  34   4.027  -6.868  -7.588
  351   2HG2  VAL  34          2HG2      VAL  34   4.296  -6.772  -9.335
  352   3HG2  VAL  34          3HG2      VAL  34   5.343  -5.860  -8.233
  353    QG1  VAL  34           QG1      VAL  34   3.973  -3.866  -9.923
  354    QG2  VAL  34           QG2      VAL  34   4.555  -6.500  -8.385
  355    QQG  VAL  34           QQG      VAL  34   4.264  -5.183  -9.154
  356    H    TYR  35           HN       TYR  35   3.944  -1.753  -6.996
  357    HA   TYR  35           HA       TYR  35   1.217  -0.698  -7.596
  358   1HB   TYR  35          2HB       TYR  35   2.035   0.167  -5.489
  359   2HB   TYR  35          3HB       TYR  35   3.649   0.372  -6.163
  360    HD1  TYR  35           HD1      TYR  35   0.158   1.559  -7.000
  361    HD2  TYR  35           HD2      TYR  35   4.314   2.561  -6.458
  362    HE1  TYR  35           HE1      TYR  35  -0.288   3.902  -7.732
  363    HE2  TYR  35           HE2      TYR  35   3.785   4.934  -6.993
  364    HH   TYR  35           HH       TYR  35   2.355   6.259  -8.152
  365    QB   TYR  35           QB       TYR  35   2.842   0.269  -5.826
  366    QR   TYR  35           QR       TYR  35   1.992   3.239  -7.046
  367    H    GLY  36           HN       GLY  36   1.171   0.909  -9.309
  368   1HA   GLY  36          1HA       GLY  36   2.821   0.088 -11.489
  369   2HA   GLY  36          2HA       GLY  36   1.598   1.358 -11.479
  370    QA   GLY  36           QA       GLY  36   2.210   0.723 -11.484
  371    H    GLY  37           HN       GLY  37   2.299   3.350 -10.074
  372   1HA   GLY  37          1HA       GLY  37   4.791   4.209  -9.476
  373   2HA   GLY  37          2HA       GLY  37   4.814   4.358 -11.244
  374    QA   GLY  37           QA       GLY  37   4.803   4.283 -10.360
  375    H    CYS  38           HN       CYS  38   2.229   5.063 -11.779
  376    HA   CYS  38           HA       CYS  38   1.994   7.781 -10.601
  377   1HB   CYS  38          2HB       CYS  38   0.383   8.076 -12.588
  378   2HB   CYS  38          3HB       CYS  38   2.116   8.180 -12.826
  379    QB   CYS  38           QB       CYS  38   1.249   8.128 -12.707
  380    H    ARG  39           HN       ARG  39  -0.023   8.602  -9.995
  381    HA   ARG  39           HA       ARG  39  -2.009   8.662  -8.968
  382   1HB   ARG  39          2HB       ARG  39  -2.535   6.353 -10.867
  383   2HB   ARG  39          3HB       ARG  39  -3.793   7.038  -9.853
  384   1HG   ARG  39          2HG       ARG  39  -2.133   8.743 -11.757
  385   2HG   ARG  39          3HG       ARG  39  -3.626   7.951 -12.218
  386   1HD   ARG  39          2HD       ARG  39  -4.334   9.265  -9.806
  387   2HD   ARG  39          3HD       ARG  39  -3.177  10.358 -10.536
  388    HE   ARG  39           HE       ARG  39  -4.793  11.017 -11.984
  389   1HH1  ARG  39          2HH2      ARG  39  -5.470   7.708 -11.084
  390   2HH1  ARG  39          1HH2      ARG  39  -7.063   7.632 -11.786
  391   1HH2  ARG  39          2HH1      ARG  39  -6.924  11.008 -12.938
  392   2HH2  ARG  39          1HH1      ARG  39  -7.895   9.576 -12.878
  393    QB   ARG  39           QB       ARG  39  -3.164   6.696 -10.360
  394    QG   ARG  39           QG       ARG  39  -2.879   8.347 -11.988
  395    QD   ARG  39           QD       ARG  39  -3.755   9.811 -10.171
  396    QH1  ARG  39           QH2      ARG  39  -6.267   7.670 -11.435
  397    QH2  ARG  39           QH1      ARG  39  -7.409  10.292 -12.908
  398    H    ALA  40           HN       ALA  40  -0.043   7.472  -7.464
  399    HA   ALA  40           HA       ALA  40  -0.660   5.253  -5.948
  400   1HB   ALA  40          2HB       ALA  40   0.449   7.901  -4.988
  401   2HB   ALA  40          3HB       ALA  40   0.531   6.359  -4.114
  402   3HB   ALA  40          1HB       ALA  40   1.393   6.551  -5.640
  403    QB   ALA  40           QB       ALA  40   0.791   6.937  -4.914
  404    H    LYS  41           HN       LYS  41  -1.792   4.908  -3.990
  405    HA   LYS  41           HA       LYS  41  -3.740   7.001  -3.118
  406   1HB   LYS  41          2HB       LYS  41  -3.859   3.980  -3.065
  407   2HB   LYS  41          3HB       LYS  41  -4.550   4.825  -1.721
  408   1HG   LYS  41          2HG       LYS  41  -6.373   4.624  -3.062
  409   2HG   LYS  41          3HG       LYS  41  -5.861   6.302  -3.257
  410   1HD   LYS  41          2HD       LYS  41  -4.414   5.288  -5.257
  411   2HD   LYS  41          3HD       LYS  41  -5.510   3.919  -5.051
  412   1HE   LYS  41          2HE       LYS  41  -7.435   5.501  -5.447
  413   2HE   LYS  41          3HE       LYS  41  -6.290   6.855  -5.516
  414   1HZ   LYS  41          2HZ       LYS  41  -5.267   5.815  -7.441
  415   2HZ   LYS  41          3HZ       LYS  41  -6.414   4.633  -7.428
  416   3HZ   LYS  41          1HZ       LYS  41  -6.857   6.190  -7.711
  417    QB   LYS  41           QB       LYS  41  -4.205   4.402  -2.393
  418    QG   LYS  41           QG       LYS  41  -6.117   5.463  -3.159
  419    QD   LYS  41           QD       LYS  41  -4.962   4.603  -5.154
  420    QE   LYS  41           QE       LYS  41  -6.863   6.178  -5.481
  421    QZ   LYS  41           QZ       LYS  41  -6.179   5.546  -7.526
  422    H    ARG  42           HN       ARG  42  -4.078   6.485  -0.669
  423    HA   ARG  42           HA       ARG  42  -1.655   7.611   0.539
  424   1HB   ARG  42          2HB       ARG  42  -4.397   6.892   1.630
  425   2HB   ARG  42          3HB       ARG  42  -3.127   7.660   2.596
  426   1HG   ARG  42          2HG       ARG  42  -3.095   9.619   1.234
  427   2HG   ARG  42          3HG       ARG  42  -4.125   8.899  -0.010
  428   1HD   ARG  42          2HD       ARG  42  -5.027   9.387   2.854
  429   2HD   ARG  42          3HD       ARG  42  -5.293  10.508   1.498
  430    HE   ARG  42           HE       ARG  42  -6.223   7.863   0.804
  431   1HH1  ARG  42          2HH2      ARG  42  -7.120  10.641   2.747
  432   2HH1  ARG  42          1HH2      ARG  42  -8.825  10.333   2.705
  433   1HH2  ARG  42          2HH1      ARG  42  -8.410   7.329   0.752
  434   2HH2  ARG  42          1HH1      ARG  42  -9.591   8.373   1.476
  435    QB   ARG  42           QB       ARG  42  -3.762   7.276   2.113
  436    QG   ARG  42           QG       ARG  42  -3.610   9.259   0.612
  437    QD   ARG  42           QD       ARG  42  -5.160   9.948   2.176
  438    QH1  ARG  42           QH2      ARG  42  -7.973  10.487   2.726
  439    QH2  ARG  42           QH1      ARG  42  -9.000   7.851   1.114
  440    H    ASN  43           HN       ASN  43  -3.448   4.564   0.625
  441    HA   ASN  43           HA       ASN  43  -1.844   3.354   2.720
  442   1HB   ASN  43          2HB       ASN  43  -4.249   2.928   2.212
  443   2HB   ASN  43          3HB       ASN  43  -3.819   2.139   0.723
  444   1HD2  ASN  43          2HD2      ASN  43  -4.224  -0.677   3.081
  445   2HD2  ASN  43          1HD2      ASN  43  -5.000   0.251   1.812
  446    QB   ASN  43           QB       ASN  43  -4.034   2.534   1.467
  447    QD2  ASN  43           QD2      ASN  43  -4.612  -0.213   2.446
  448    H    ASN  44           HN       ASN  44   0.124   4.098   1.332
  449    HA   ASN  44           HA       ASN  44   1.045   1.874  -0.437
  450   1HB   ASN  44          2HB       ASN  44  -0.132   3.558  -1.843
  451   2HB   ASN  44          3HB       ASN  44   1.032   4.781  -1.309
  452   1HD2  ASN  44          2HD2      ASN  44   2.192   3.251  -4.570
  453   2HD2  ASN  44          1HD2      ASN  44   0.735   4.084  -4.077
  454    QB   ASN  44           QB       ASN  44   0.450   4.169  -1.576
  455    QD2  ASN  44           QD2      ASN  44   1.463   3.668  -4.324
  456    H    PHE  45           HN       PHE  45   2.439   1.384   1.324
  457    HA   PHE  45           HA       PHE  45   4.294   3.484   2.283
  458   1HB   PHE  45          2HB       PHE  45   3.904   0.666   3.322
  459   2HB   PHE  45          3HB       PHE  45   4.698   1.973   4.121
  460    HD1  PHE  45          2HD       PHE  45   3.448   4.161   4.592
  461    HD2  PHE  45          1HD       PHE  45   1.516   0.390   3.804
  462    HE1  PHE  45          2HE       PHE  45   1.373   5.026   5.582
  463    HE2  PHE  45          1HE       PHE  45  -0.522   1.208   4.969
  464    HZ   PHE  45           HZ       PHE  45  -0.630   3.537   5.798
  465    QB   PHE  45           QB       PHE  45   4.301   1.319   3.722
  466    QR   PHE  45           QR       PHE  45   1.454   2.696   4.737
  467    H    LYS  46           HN       LYS  46   6.529   2.723   2.776
  468    HA   LYS  46           HA       LYS  46   7.849   1.642   0.363
  469   1HB   LYS  46          2HB       LYS  46   8.923   2.808   2.962
  470   2HB   LYS  46          3HB       LYS  46   9.903   2.326   1.588
  471   1HG   LYS  46          2HG       LYS  46   7.716   4.346   1.062
  472   2HG   LYS  46          3HG       LYS  46   9.066   4.843   2.081
  473   1HD   LYS  46          2HD       LYS  46  10.679   4.149   0.344
  474   2HD   LYS  46          3HD       LYS  46   9.342   3.664  -0.721
  475   1HE   LYS  46          2HE       LYS  46   8.524   5.989  -0.807
  476   2HE   LYS  46          3HE       LYS  46   9.707   6.490   0.411
  477   1HZ   LYS  46          3HZ       LYS  46  10.384   5.516  -2.283
  478   2HZ   LYS  46          1HZ       LYS  46  10.419   7.082  -1.781
  479   3HZ   LYS  46          2HZ       LYS  46  11.458   5.992  -1.132
  480    QB   LYS  46           QB       LYS  46   9.413   2.567   2.275
  481    QG   LYS  46           QG       LYS  46   8.391   4.594   1.572
  482    QD   LYS  46           QD       LYS  46  10.011   3.906  -0.188
  483    QE   LYS  46           QE       LYS  46   9.116   6.240  -0.198
  484    QZ   LYS  46           QZ       LYS  46  10.754   6.197  -1.732
  485    H    SER  47           HN       SER  47   7.406   1.031   3.940
  486    HA   SER  47           HA       SER  47   7.648  -1.839   3.300
  487   1HB   SER  47          2HB       SER  47   9.407  -2.381   4.779
  488   2HB   SER  47          3HB       SER  47  10.010  -1.072   3.750
  489    HG   SER  47           HG       SER  47   9.251   0.302   5.603
  490    QB   SER  47           QB       SER  47   9.708  -1.727   4.264
  491    H    ALA  48           HN       ALA  48   7.469  -3.167   5.421
  492    HA   ALA  48           HA       ALA  48   4.971  -2.467   6.568
  493   1HB   ALA  48          1HB       ALA  48   5.570  -4.803   6.361
  494   2HB   ALA  48          2HB       ALA  48   6.942  -4.578   7.482
  495   3HB   ALA  48          3HB       ALA  48   5.274  -4.389   8.058
  496    QB   ALA  48           QB       ALA  48   5.929  -4.590   7.300
  497    H    GLU  49           HN       GLU  49   8.294  -1.680   7.442
  498    HA   GLU  49           HA       GLU  49   7.823  -1.136  10.209
  499   1HB   GLU  49          2HB       GLU  49  10.071  -1.390   9.233
  500   2HB   GLU  49          3HB       GLU  49   9.867   0.099   8.298
  501   1HG   GLU  49          2HG       GLU  49   9.689   1.416  10.365
  502   2HG   GLU  49          3HG       GLU  49   9.698  -0.065  11.336
  503    QB   GLU  49           QB       GLU  49   9.969  -0.645   8.766
  504    QG   GLU  49           QG       GLU  49   9.694   0.676  10.850
  505    H    ASP  50           HN       ASP  50   7.852   1.010   7.309
  506    HA   ASP  50           HA       ASP  50   6.981   3.333   8.756
  507   1HB   ASP  50          2HB       ASP  50   6.482   4.170   6.340
  508   2HB   ASP  50          3HB       ASP  50   8.170   3.864   6.842
  509    QB   ASP  50           QB       ASP  50   7.326   4.017   6.591
  510    H    CYS  51           HN       CYS  51   5.294   0.897   6.711
  511    HA   CYS  51           HA       CYS  51   2.674   1.892   6.890
  512   1HB   CYS  51          2HB       CYS  51   3.239  -0.077   5.573
  513   2HB   CYS  51          3HB       CYS  51   3.702  -0.919   7.036
  514    QB   CYS  51           QB       CYS  51   3.471  -0.498   6.304
  515    H    MET  52           HN       MET  52   4.265  -0.307   9.294
  516    HA   MET  52           HA       MET  52   2.124  -0.235  11.165
  517   1HB   MET  52          2HB       MET  52   5.091  -0.843  11.420
  518   2HB   MET  52          3HB       MET  52   4.008  -0.821  12.811
  519   1HG   MET  52          2HG       MET  52   2.523  -2.465  11.733
  520   2HG   MET  52          3HG       MET  52   3.650  -2.584  10.371
  521   1HE   MET  52          2HE       MET  52   2.473  -4.995  12.201
  522   2HE   MET  52          3HE       MET  52   3.518  -5.245  10.776
  523   3HE   MET  52          1HE       MET  52   3.930  -6.009  12.331
  524    QB   MET  52           QB       MET  52   4.550  -0.832  12.115
  525    QG   MET  52           QG       MET  52   3.087  -2.524  11.052
  526    QE   MET  52           QE       MET  52   3.307  -5.417  11.770
  527    H    ARG  53           HN       ARG  53   5.114   1.802  10.994
  528    HA   ARG  53           HA       ARG  53   4.542   3.424  13.236
  529   1HB   ARG  53          2HB       ARG  53   6.031   3.865  10.661
  530   2HB   ARG  53          3HB       ARG  53   5.748   5.237  11.717
  531   1HG   ARG  53          2HG       ARG  53   6.734   2.839  13.172
  532   2HG   ARG  53          3HG       ARG  53   7.857   3.401  11.945
  533   1HD   ARG  53          2HD       ARG  53   6.583   5.245  14.009
  534   2HD   ARG  53          3HD       ARG  53   8.151   4.440  14.241
  535    HE   ARG  53           HE       ARG  53   8.341   5.671  11.763
  536   1HH1  ARG  53          2HH2      ARG  53   7.817   6.761  15.068
  537   2HH1  ARG  53          1HH2      ARG  53   8.647   8.276  14.883
  538   1HH2  ARG  53          2HH1      ARG  53   9.488   7.649  11.475
  539   2HH2  ARG  53          1HH1      ARG  53   9.622   8.789  12.771
  540    QB   ARG  53           QB       ARG  53   5.889   4.551  11.189
  541    QG   ARG  53           QG       ARG  53   7.296   3.120  12.559
  542    QD   ARG  53           QD       ARG  53   7.367   4.843  14.125
  543    QH1  ARG  53           QH2      ARG  53   8.232   7.519  14.976
  544    QH2  ARG  53           QH1      ARG  53   9.555   8.219  12.123
  545    H    THR  54           HN       THR  54   3.273   3.824   9.881
  546    HA   THR  54           HA       THR  54   1.711   6.145  10.560
  547    HB   THR  54           HB       THR  54   1.360   4.071   8.345
  548    HG1  THR  54          1HG       THR  54   2.827   6.446   8.648
  549   1HG2  THR  54          3HG2      THR  54   0.128   6.835   8.724
  550   2HG2  THR  54          1HG2      THR  54   0.126   5.940   7.196
  551   3HG2  THR  54          2HG2      THR  54  -0.736   5.284   8.587
  552    QG2  THR  54           QG2      THR  54  -0.161   6.020   8.169
  553    H    CYS  55           HN       CYS  55   0.878   2.665  10.372
  554    HA   CYS  55           HA       CYS  55  -1.941   3.416  10.874
  555   1HB   CYS  55          2HB       CYS  55  -1.065   2.347   8.743
  556   2HB   CYS  55          3HB       CYS  55  -0.846   0.862   9.676
  557    QB   CYS  55           QB       CYS  55  -0.955   1.604   9.210
  558    H    GLY  56           HN       GLY  56   0.583   1.472  12.323
  559   1HA   GLY  56          1HA       GLY  56   0.639   0.118  14.138
  560   2HA   GLY  56          2HA       GLY  56  -0.997   0.643  14.575
  561    QA   GLY  56           QA       GLY  56  -0.179   0.380  14.357
  562    H    GLY  57           HN       GLY  57  -2.407  -1.070  14.610
  563   1HA   GLY  57          1HA       GLY  57  -3.308  -2.766  12.807
  564   2HA   GLY  57          2HA       GLY  57  -1.759  -3.567  13.163
  565    QA   GLY  57           QA       GLY  57  -2.534  -3.167  12.985
  566    H    ALA  58           HN       ALA  58  -1.730  -4.952  14.870
  567    HA   ALA  58           HA       ALA  58  -3.281  -4.487  17.264
  568   1HB   ALA  58          3HB       ALA  58  -3.113  -7.182  15.818
  569   2HB   ALA  58          1HB       ALA  58  -3.695  -6.928  17.474
  570   3HB   ALA  58          2HB       ALA  58  -4.607  -6.258  16.105
  571    QB   ALA  58           QB       ALA  58  -3.805  -6.789  16.466
   
  No H/Q in entry =         571
  Start of MODEL   14
    1    H    ARG   1           HN       ARG   1  -8.367   3.392  14.476
    2    HA   ARG   1           HA       ARG   1  -6.659   4.273  12.829
    3   1HB   ARG   1          2HB       ARG   1  -6.885   2.347  11.325
    4   2HB   ARG   1          3HB       ARG   1  -7.210   1.884  12.992
    5   1HG   ARG   1          2HG       ARG   1  -9.715   2.161  12.492
    6   2HG   ARG   1          3HG       ARG   1  -9.299   2.363  10.785
    7   1HD   ARG   1          2HD       ARG   1  -8.532   0.001  12.504
    8   2HD   ARG   1          3HD       ARG   1 -10.010   0.042  11.559
    9    HE   ARG   1           HE       ARG   1  -8.477   0.473   9.556
   10   1HH1  ARG   1          2HH2      ARG   1  -7.640  -1.792  12.232
   11   2HH1  ARG   1          1HH2      ARG   1  -6.491  -2.654  11.253
   12   1HH2  ARG   1          2HH1      ARG   1  -7.148  -0.962   8.211
   13   2HH2  ARG   1          1HH1      ARG   1  -6.595  -2.404   8.951
   14    QB   ARG   1           QB       ARG   1  -7.047   2.115  12.159
   15    QG   ARG   1           QG       ARG   1  -9.507   2.262  11.638
   16    QD   ARG   1           QD       ARG   1  -9.271   0.022  12.031
   17    QH1  ARG   1           QH2      ARG   1  -7.066  -2.223  11.743
   18    QH2  ARG   1           QH1      ARG   1  -6.871  -1.683   8.581
   19    HA   PRO   2           HA       PRO   2  -8.712   6.750   9.640
   20   1HB   PRO   2          2HB       PRO   2  -6.792   6.682   7.624
   21   2HB   PRO   2          3HB       PRO   2  -6.737   7.744   9.036
   22   1HG   PRO   2          2HG       PRO   2  -5.274   5.158   8.548
   23   2HG   PRO   2          3HG       PRO   2  -4.699   6.602   9.417
   24   1HD   PRO   2          2HD       PRO   2  -5.604   4.334  10.701
   25   2HD   PRO   2          3HD       PRO   2  -5.719   5.975  11.387
   26    QB   PRO   2           QB       PRO   2  -6.765   7.213   8.330
   27    QG   PRO   2           QG       PRO   2  -4.987   5.880   8.983
   28    QD   PRO   2           QD       PRO   2  -5.662   5.155  11.044
   29    H    ASP   3           HN       ASP   3  -9.778   6.569   7.616
   30    HA   ASP   3           HA       ASP   3 -10.639   4.041   6.768
   31   1HB   ASP   3          2HB       ASP   3 -10.907   6.876   5.851
   32   2HB   ASP   3          3HB       ASP   3 -11.033   5.684   4.558
   33    QB   ASP   3           QB       ASP   3 -10.970   6.280   5.204
   34    H    PHE   4           HN       PHE   4  -7.792   5.897   5.676
   35    HA   PHE   4           HA       PHE   4  -7.509   4.280   3.301
   36   1HB   PHE   4          2HB       PHE   4  -5.396   5.142   2.992
   37   2HB   PHE   4          3HB       PHE   4  -6.437   6.443   3.513
   38    HD1  PHE   4          1HD       PHE   4  -3.779   4.023   4.593
   39    HD2  PHE   4          2HD       PHE   4  -5.722   7.790   5.439
   40    HE1  PHE   4          1HE       PHE   4  -2.456   4.270   6.644
   41    HE2  PHE   4          2HE       PHE   4  -4.131   8.175   7.295
   42    HZ   PHE   4           HZ       PHE   4  -2.614   6.346   8.007
   43    QB   PHE   4           QB       PHE   4  -5.916   5.792   3.253
   44    QR   PHE   4           QR       PHE   4  -4.022   6.064   5.993
   45    H    CYS   5           HN       CYS   5  -7.129   3.487   6.649
   46    HA   CYS   5           HA       CYS   5  -4.945   1.597   6.300
   47   1HB   CYS   5          2HB       CYS   5  -6.140   2.781   8.463
   48   2HB   CYS   5          3HB       CYS   5  -6.919   1.220   8.486
   49    QB   CYS   5           QB       CYS   5  -6.529   2.000   8.475
   50    H    LEU   6           HN       LEU   6  -8.055   1.641   4.981
   51    HA   LEU   6           HA       LEU   6  -8.024  -1.316   4.728
   52   1HB   LEU   6          2HB       LEU   6 -10.585   0.241   4.605
   53   2HB   LEU   6          3HB       LEU   6 -10.312  -1.450   4.986
   54    HG   LEU   6           HG       LEU   6  -9.085   0.019   7.145
   55   1HD1  LEU   6          3HD1      LEU   6 -10.572   1.912   6.136
   56   2HD1  LEU   6          1HD1      LEU   6 -11.907   1.018   6.838
   57   3HD1  LEU   6          2HD1      LEU   6 -10.588   1.621   7.874
   58   1HD2  LEU   6          2HD2      LEU   6 -11.686  -1.473   7.007
   59   2HD2  LEU   6          3HD2      LEU   6 -10.102  -2.046   7.574
   60   3HD2  LEU   6          1HD2      LEU   6 -10.951  -0.815   8.492
   61    QB   LEU   6           QB       LEU   6 -10.449  -0.604   4.796
   62    QD1  LEU   6           QD1      LEU   6 -11.023   1.517   6.949
   63    QD2  LEU   6           QD2      LEU   6 -10.913  -1.445   7.691
   64    QQD  LEU   6           QQD      LEU   6 -10.968   0.036   7.320
   65    H    GLU   7           HN       GLU   7  -7.066   1.264   3.049
   66    HA   GLU   7           HA       GLU   7  -8.648   1.228   0.668
   67   1HB   GLU   7          2HB       GLU   7  -6.037   2.317   1.530
   68   2HB   GLU   7          3HB       GLU   7  -6.094   1.942  -0.187
   69   1HG   GLU   7          2HG       GLU   7  -8.001   3.389  -0.497
   70   2HG   GLU   7          3HG       GLU   7  -8.041   3.793   1.221
   71    QB   GLU   7           QB       GLU   7  -6.066   2.130   0.672
   72    QG   GLU   7           QG       GLU   7  -8.021   3.591   0.362
   73    HA   PRO   8           HA       PRO   8  -7.049  -2.616  -1.016
   74   1HB   PRO   8          2HB       PRO   8  -7.930  -2.496  -3.606
   75   2HB   PRO   8          3HB       PRO   8  -9.042  -2.676  -2.221
   76   1HG   PRO   8          2HG       PRO   8  -8.260  -0.110  -3.639
   77   2HG   PRO   8          3HG       PRO   8  -9.911  -0.699  -3.291
   78   1HD   PRO   8          2HD       PRO   8  -8.640   1.082  -1.660
   79   2HD   PRO   8          3HD       PRO   8  -9.688  -0.200  -0.979
   80    QB   PRO   8           QB       PRO   8  -8.486  -2.586  -2.913
   81    QG   PRO   8           QG       PRO   8  -9.086  -0.405  -3.465
   82    QD   PRO   8           QD       PRO   8  -9.164   0.441  -1.320
   83    HA   PRO   9           HA       PRO   9  -3.178  -1.554  -2.952
   84   1HB   PRO   9          2HB       PRO   9  -2.403  -3.913  -4.079
   85   2HB   PRO   9          3HB       PRO   9  -2.551  -3.676  -2.315
   86   1HG   PRO   9          2HG       PRO   9  -4.561  -4.922  -4.207
   87   2HG   PRO   9          3HG       PRO   9  -3.968  -5.576  -2.649
   88   1HD   PRO   9          2HD       PRO   9  -6.317  -4.184  -2.848
   89   2HD   PRO   9          3HD       PRO   9  -5.263  -4.042  -1.413
   90    QB   PRO   9           QB       PRO   9  -2.477  -3.795  -3.197
   91    QG   PRO   9           QG       PRO   9  -4.264  -5.249  -3.428
   92    QD   PRO   9           QD       PRO   9  -5.790  -4.113  -2.130
   93    H    TYR  10           HN       TYR  10  -4.203   0.000  -4.384
   94    HA   TYR  10           HA       TYR  10  -5.001  -0.753  -7.075
   95   1HB   TYR  10          2HB       TYR  10  -5.888   1.158  -5.654
   96   2HB   TYR  10          3HB       TYR  10  -4.376   2.001  -5.956
   97    HD1  TYR  10           HD1      TYR  10  -7.382   0.502  -7.603
   98    HD2  TYR  10           HD2      TYR  10  -4.033   3.176  -8.051
   99    HE1  TYR  10           HE1      TYR  10  -8.417   1.457  -9.643
  100    HE2  TYR  10           HE2      TYR  10  -5.176   4.270  -9.968
  101    HH   TYR  10           HH       TYR  10  -6.833   3.956 -11.607
  102    QB   TYR  10           QB       TYR  10  -5.132   1.580  -5.805
  103    QR   TYR  10           QR       TYR  10  -6.252   2.351  -8.817
  104    H    THR  11           HN       THR  11  -3.462  -1.318  -8.645
  105    HA   THR  11           HA       THR  11  -0.739  -0.546  -8.419
  106    HB   THR  11           HB       THR  11  -2.317  -1.897 -10.609
  107    HG1  THR  11          1HG       THR  11  -0.790  -3.500 -10.015
  108   1HG2  THR  11          3HG2      THR  11  -0.618  -0.534 -11.873
  109   2HG2  THR  11          1HG2      THR  11   0.644  -1.226 -10.833
  110   3HG2  THR  11          2HG2      THR  11  -0.289  -2.263 -11.913
  111    QG2  THR  11           QG2      THR  11  -0.088  -1.341 -11.540
  112    H    GLY  12           HN       GLY  12  -3.402   0.805 -10.309
  113   1HA   GLY  12          1HA       GLY  12  -3.578   3.053 -10.950
  114   2HA   GLY  12          2HA       GLY  12  -1.848   3.315 -10.741
  115    QA   GLY  12           QA       GLY  12  -2.713   3.184 -10.846
  116    HA   PRO  13           HA       PRO  13  -2.821   1.737 -15.156
  117   1HB   PRO  13          2HB       PRO  13  -3.893   3.787 -16.576
  118   2HB   PRO  13          3HB       PRO  13  -4.896   2.734 -15.546
  119   1HG   PRO  13          2HG       PRO  13  -3.744   5.440 -14.806
  120   2HG   PRO  13          3HG       PRO  13  -5.450   4.902 -14.675
  121   1HD   PRO  13          2HD       PRO  13  -3.720   4.769 -12.552
  122   2HD   PRO  13          3HD       PRO  13  -4.955   3.504 -12.828
  123    QB   PRO  13           QB       PRO  13  -4.394   3.261 -16.061
  124    QG   PRO  13           QG       PRO  13  -4.597   5.171 -14.740
  125    QD   PRO  13           QD       PRO  13  -4.337   4.136 -12.690
  126    H    CYS  14           HN       CYS  14  -0.414   2.164 -14.156
  127    HA   CYS  14           HA       CYS  14   0.793   3.788 -16.323
  128   1HB   CYS  14          2HB       CYS  14   1.539   4.048 -13.416
  129   2HB   CYS  14          3HB       CYS  14   2.778   4.111 -14.678
  130    QB   CYS  14           QB       CYS  14   2.159   4.080 -14.047
  131    H    LYS  15           HN       LYS  15   2.542   2.913 -17.299
  132    HA   LYS  15           HA       LYS  15   2.351  -0.018 -17.152
  133   1HB   LYS  15          2HB       LYS  15   3.329   1.947 -19.238
  134   2HB   LYS  15          3HB       LYS  15   3.569   0.201 -19.406
  135   1HG   LYS  15          2HG       LYS  15   1.387  -0.245 -19.865
  136   2HG   LYS  15          3HG       LYS  15   0.814   0.851 -18.626
  137   1HD   LYS  15          2HD       LYS  15  -0.077   1.745 -20.516
  138   2HD   LYS  15          3HD       LYS  15   1.285   2.803 -20.194
  139   1HE   LYS  15          2HE       LYS  15   1.145   0.527 -22.261
  140   2HE   LYS  15          3HE       LYS  15   0.964   2.250 -22.607
  141   1HZ   LYS  15          3HZ       LYS  15   3.224   2.588 -21.878
  142   2HZ   LYS  15          1HZ       LYS  15   3.410   0.977 -21.584
  143   3HZ   LYS  15          2HZ       LYS  15   3.152   1.513 -23.118
  144    QB   LYS  15           QB       LYS  15   3.449   1.074 -19.322
  145    QG   LYS  15           QG       LYS  15   1.100   0.303 -19.245
  146    QD   LYS  15           QD       LYS  15   0.604   2.274 -20.355
  147    QE   LYS  15           QE       LYS  15   1.054   1.388 -22.434
  148    QZ   LYS  15           QZ       LYS  15   3.262   1.693 -22.193
  149    H    ALA  16           HN       ALA  16   3.492   0.418 -15.009
  150    HA   ALA  16           HA       ALA  16   6.352  -0.286 -15.280
  151   1HB   ALA  16          3HB       ALA  16   5.153   1.997 -13.666
  152   2HB   ALA  16          1HB       ALA  16   6.767   1.328 -13.338
  153   3HB   ALA  16          2HB       ALA  16   6.413   2.096 -14.898
  154    QB   ALA  16           QB       ALA  16   6.111   1.807 -13.967
  155    H    ARG  17           HN       ARG  17   7.081  -1.033 -12.959
  156    HA   ARG  17           HA       ARG  17   4.921  -2.046 -11.278
  157   1HB   ARG  17          2HB       ARG  17   7.155  -3.856 -12.276
  158   2HB   ARG  17          3HB       ARG  17   6.021  -4.227 -11.063
  159   1HG   ARG  17          2HG       ARG  17   4.895  -5.297 -12.628
  160   2HG   ARG  17          3HG       ARG  17   4.262  -3.735 -13.129
  161   1HD   ARG  17          2HD       ARG  17   6.886  -4.893 -14.227
  162   2HD   ARG  17          3HD       ARG  17   5.364  -5.469 -14.845
  163    HE   ARG  17           HE       ARG  17   6.659  -2.940 -15.419
  164   1HH1  ARG  17          2HH2      ARG  17   3.508  -4.438 -15.167
  165   2HH1  ARG  17          1HH2      ARG  17   2.827  -3.715 -16.592
  166   1HH2  ARG  17          2HH1      ARG  17   5.722  -1.755 -17.265
  167   2HH2  ARG  17          1HH1      ARG  17   4.211  -2.299 -17.892
  168    QB   ARG  17           QB       ARG  17   6.588  -4.042 -11.669
  169    QG   ARG  17           QG       ARG  17   4.579  -4.516 -12.879
  170    QD   ARG  17           QD       ARG  17   6.125  -5.181 -14.536
  171    QH1  ARG  17           QH2      ARG  17   3.167  -4.077 -15.879
  172    QH2  ARG  17           QH1      ARG  17   4.967  -2.027 -17.578
  173    H    ILE  18           HN       ILE  18   5.553  -1.608  -9.228
  174    HA   ILE  18           HA       ILE  18   8.416  -1.347  -8.455
  175    HB   ILE  18           HB       ILE  18   6.132   0.616  -7.902
  176   1HG1  ILE  18          2HG1      ILE  18   8.547   0.960  -9.724
  177   2HG1  ILE  18          3HG1      ILE  18   6.847   0.862 -10.208
  178   1HG2  ILE  18          1HG2      ILE  18   7.749   0.406  -6.032
  179   2HG2  ILE  18          2HG2      ILE  18   9.083   0.757  -7.152
  180   3HG2  ILE  18          3HG2      ILE  18   7.843   1.981  -6.814
  181   1HD1  ILE  18          2HD1      ILE  18   6.385   2.910  -8.805
  182   2HD1  ILE  18          3HD1      ILE  18   8.154   3.130  -8.694
  183   3HD1  ILE  18          1HD1      ILE  18   7.354   3.148 -10.274
  184    QG1  ILE  18           QG1      ILE  18   7.697   0.911  -9.966
  185    QG2  ILE  18           QG2      ILE  18   8.225   1.048  -6.666
  186    QD1  ILE  18           QD1      ILE  18   7.297   3.063  -9.258
  187    H    ILE  19           HN       ILE  19   8.593  -2.817  -6.695
  188    HA   ILE  19           HA       ILE  19   6.259  -3.836  -5.385
  189    HB   ILE  19           HB       ILE  19   9.138  -3.805  -4.428
  190   1HG1  ILE  19          2HG1      ILE  19   8.909  -4.974  -6.591
  191   2HG1  ILE  19          3HG1      ILE  19   9.318  -6.065  -5.275
  192   1HG2  ILE  19          2HG2      ILE  19   6.704  -5.356  -3.447
  193   2HG2  ILE  19          3HG2      ILE  19   8.381  -5.783  -3.046
  194   3HG2  ILE  19          1HG2      ILE  19   7.715  -4.231  -2.529
  195   1HD1  ILE  19          1HD1      ILE  19   6.528  -5.739  -6.463
  196   2HD1  ILE  19          2HD1      ILE  19   7.662  -7.053  -6.795
  197   3HD1  ILE  19          3HD1      ILE  19   6.983  -6.874  -5.172
  198    QG1  ILE  19           QG1      ILE  19   9.114  -5.519  -5.933
  199    QG2  ILE  19           QG2      ILE  19   7.600  -5.123  -3.007
  200    QD1  ILE  19           QD1      ILE  19   7.058  -6.555  -6.143
  201    H    ARG  20           HN       ARG  20   5.081  -3.093  -3.737
  202    HA   ARG  20           HA       ARG  20   6.017  -0.916  -1.977
  203   1HB   ARG  20          2HB       ARG  20   3.597  -0.894  -3.833
  204   2HB   ARG  20          3HB       ARG  20   3.600   0.068  -2.361
  205   1HG   ARG  20          2HG       ARG  20   5.620   0.376  -4.622
  206   2HG   ARG  20          3HG       ARG  20   4.226   1.409  -4.257
  207   1HD   ARG  20          2HD       ARG  20   5.346   1.473  -1.833
  208   2HD   ARG  20          3HD       ARG  20   6.826   1.164  -2.728
  209    HE   ARG  20           HE       ARG  20   4.979   3.481  -2.703
  210   1HH1  ARG  20          2HH2      ARG  20   7.759   2.044  -4.317
  211   2HH1  ARG  20          1HH2      ARG  20   8.259   3.488  -5.143
  212   1HH2  ARG  20          2HH1      ARG  20   5.528   5.394  -3.837
  213   2HH2  ARG  20          1HH1      ARG  20   6.899   5.454  -4.902
  214    QB   ARG  20           QB       ARG  20   3.598  -0.413  -3.097
  215    QG   ARG  20           QG       ARG  20   4.923   0.892  -4.439
  216    QD   ARG  20           QD       ARG  20   6.086   1.319  -2.280
  217    QH1  ARG  20           QH2      ARG  20   8.009   2.766  -4.730
  218    QH2  ARG  20           QH1      ARG  20   6.213   5.424  -4.369
  219    H    TYR  21           HN       TYR  21   4.174  -0.604  -0.280
  220    HA   TYR  21           HA       TYR  21   2.965  -3.205   0.337
  221   1HB   TYR  21          2HB       TYR  21   4.200  -1.418   2.434
  222   2HB   TYR  21          3HB       TYR  21   3.580  -3.011   2.671
  223    HD1  TYR  21           HD1      TYR  21   6.327  -1.515   0.461
  224    HD2  TYR  21           HD2      TYR  21   5.236  -4.404   3.468
  225    HE1  TYR  21           HE1      TYR  21   8.468  -2.637   0.135
  226    HE2  TYR  21           HE2      TYR  21   7.523  -5.345   3.341
  227    HH   TYR  21           HH       TYR  21   9.926  -4.198   0.959
  228    QB   TYR  21           QB       TYR  21   3.890  -2.215   2.553
  229    QR   TYR  21           QR       TYR  21   6.888  -3.475   1.851
  230    H    PHE  22           HN       PHE  22   1.415  -2.947   2.213
  231    HA   PHE  22           HA       PHE  22  -0.020  -0.427   2.403
  232   1HB   PHE  22          2HB       PHE  22  -2.012  -1.010   1.315
  233   2HB   PHE  22          3HB       PHE  22  -0.765  -1.225   0.136
  234    HD1  PHE  22          2HD       PHE  22   0.198  -3.847   0.128
  235    HD2  PHE  22          1HD       PHE  22  -3.746  -2.558   1.326
  236    HE1  PHE  22          2HE       PHE  22  -0.683  -6.111  -0.323
  237    HE2  PHE  22          1HE       PHE  22  -4.615  -4.823   0.872
  238    HZ   PHE  22           HZ       PHE  22  -3.091  -6.607   0.031
  239    QB   PHE  22           QB       PHE  22  -1.389  -1.117   0.726
  240    QR   PHE  22           QR       PHE  22  -2.212  -4.335   0.501
  241    H    TYR  23           HN       TYR  23  -1.582  -0.551   4.123
  242    HA   TYR  23           HA       TYR  23  -1.407  -2.890   5.899
  243   1HB   TYR  23          2HB       TYR  23  -1.763  -0.500   6.671
  244   2HB   TYR  23          3HB       TYR  23  -3.385  -0.589   6.000
  245    HD1  TYR  23           HD2      TYR  23  -4.787  -2.775   6.798
  246    HD2  TYR  23           HD1      TYR  23  -1.532  -0.964   8.965
  247    HE1  TYR  23           HE2      TYR  23  -5.404  -4.052   8.831
  248    HE2  TYR  23           HE1      TYR  23  -2.466  -1.858  11.069
  249    HH   TYR  23           HH       TYR  23  -4.224  -3.088  12.020
  250    QB   TYR  23           QB       TYR  23  -2.574  -0.545   6.336
  251    QR   TYR  23           QR       TYR  23  -3.547  -2.412   8.916
  252    H    ASN  24           HN       ASN  24  -2.552  -4.727   5.415
  253    HA   ASN  24           HA       ASN  24  -4.945  -4.494   3.595
  254   1HB   ASN  24          2HB       ASN  24  -3.294  -6.111   2.953
  255   2HB   ASN  24          3HB       ASN  24  -3.424  -6.966   4.494
  256   1HD2  ASN  24          2HD2      ASN  24  -5.486  -8.849   2.091
  257   2HD2  ASN  24          1HD2      ASN  24  -3.800  -8.619   2.520
  258    QB   ASN  24           QB       ASN  24  -3.359  -6.539   3.723
  259    QD2  ASN  24           QD2      ASN  24  -4.643  -8.734   2.305
  260    H    ALA  25           HN       ALA  25  -6.577  -3.743   5.039
  261    HA   ALA  25           HA       ALA  25  -7.134  -4.753   7.590
  262   1HB   ALA  25          1HB       ALA  25  -9.028  -3.857   5.387
  263   2HB   ALA  25          2HB       ALA  25  -9.427  -4.054   7.107
  264   3HB   ALA  25          3HB       ALA  25  -8.233  -2.825   6.602
  265    QB   ALA  25           QB       ALA  25  -8.896  -3.578   6.365
  266    H    LYS  26           HN       LYS  26  -7.244  -6.559   4.578
  267    HA   LYS  26           HA       LYS  26  -9.353  -8.346   5.678
  268   1HB   LYS  26          2HB       LYS  26  -9.004  -7.524   3.132
  269   2HB   LYS  26          3HB       LYS  26  -7.967  -8.955   3.110
  270   1HG   LYS  26          2HG       LYS  26 -10.130  -9.726   2.450
  271   2HG   LYS  26          3HG       LYS  26  -9.932 -10.243   4.113
  272   1HD   LYS  26          2HD       LYS  26 -11.866  -9.242   4.632
  273   2HD   LYS  26          3HD       LYS  26 -11.118  -7.674   4.372
  274   1HE   LYS  26          2HE       LYS  26 -12.580  -9.354   2.273
  275   2HE   LYS  26          3HE       LYS  26 -13.236  -7.945   3.116
  276   1HZ   LYS  26          2HZ       LYS  26 -10.903  -7.884   1.319
  277   2HZ   LYS  26          3HZ       LYS  26 -12.424  -7.387   0.937
  278   3HZ   LYS  26          1HZ       LYS  26 -11.563  -6.587   2.085
  279    QB   LYS  26           QB       LYS  26  -8.485  -8.240   3.121
  280    QG   LYS  26           QG       LYS  26 -10.031  -9.985   3.282
  281    QD   LYS  26           QD       LYS  26 -11.492  -8.458   4.502
  282    QE   LYS  26           QE       LYS  26 -12.908  -8.650   2.694
  283    QZ   LYS  26           QZ       LYS  26 -11.630  -7.286   1.447
  284    H    ALA  27           HN       ALA  27  -6.071  -7.942   6.112
  285    HA   ALA  27           HA       ALA  27  -5.707 -10.832   6.831
  286   1HB   ALA  27          1HB       ALA  27  -4.318 -10.145   4.905
  287   2HB   ALA  27          2HB       ALA  27  -3.608  -8.847   5.901
  288   3HB   ALA  27          3HB       ALA  27  -3.346 -10.549   6.335
  289    QB   ALA  27           QB       ALA  27  -3.758  -9.847   5.714
  290    H    GLY  28           HN       GLY  28  -4.972  -7.423   7.612
  291   1HA   GLY  28          1HA       GLY  28  -5.036  -6.455   9.721
  292   2HA   GLY  28          2HA       GLY  28  -4.940  -8.039  10.501
  293    QA   GLY  28           QA       GLY  28  -4.988  -7.247  10.111
  294    H    LEU  29           HN       LEU  29  -2.780  -6.715   7.916
  295    HA   LEU  29           HA       LEU  29  -0.721  -5.909   9.716
  296   1HB   LEU  29          2HB       LEU  29   0.987  -7.558   9.102
  297   2HB   LEU  29          3HB       LEU  29  -0.309  -8.290  10.013
  298    HG   LEU  29           HG       LEU  29  -0.781  -8.441   7.086
  299   1HD1  LEU  29          1HD1      LEU  29   1.661  -9.837   8.256
  300   2HD1  LEU  29          2HD1      LEU  29   0.964 -10.126   6.650
  301   3HD1  LEU  29          3HD1      LEU  29   1.678  -8.552   7.032
  302   1HD2  LEU  29          1HD2      LEU  29  -2.050  -9.740   8.781
  303   2HD2  LEU  29          2HD2      LEU  29  -1.208 -10.800   7.635
  304   3HD2  LEU  29          3HD2      LEU  29  -0.555 -10.562   9.266
  305    QB   LEU  29           QB       LEU  29   0.339  -7.924   9.558
  306    QD1  LEU  29           QD1      LEU  29   1.435  -9.505   7.313
  307    QD2  LEU  29           QD2      LEU  29  -1.271 -10.367   8.561
  308    QQD  LEU  29           QQD      LEU  29   0.082  -9.936   7.937
  309    H    CYS  30           HN       CYS  30   1.435  -5.672   8.277
  310    HA   CYS  30           HA       CYS  30   0.590  -4.031   5.946
  311   1HB   CYS  30          2HB       CYS  30   3.170  -4.319   7.518
  312   2HB   CYS  30          3HB       CYS  30   2.934  -3.227   6.144
  313    QB   CYS  30           QB       CYS  30   3.052  -3.773   6.831
  314    H    GLN  31           HN       GLN  31   0.828  -4.821   3.917
  315    HA   GLN  31           HA       GLN  31   2.502  -7.276   3.479
  316   1HB   GLN  31          2HB       GLN  31  -0.436  -6.754   2.848
  317   2HB   GLN  31          3HB       GLN  31   0.530  -7.823   1.841
  318   1HG   GLN  31          2HG       GLN  31   1.195  -9.095   3.947
  319   2HG   GLN  31          3HG       GLN  31  -0.118  -8.233   4.765
  320   1HE2  GLN  31          2HE2      GLN  31  -2.591 -10.311   3.234
  321   2HE2  GLN  31          1HE2      GLN  31  -2.281  -8.926   4.286
  322    QB   GLN  31           QB       GLN  31   0.047  -7.289   2.344
  323    QG   GLN  31           QG       GLN  31   0.539  -8.664   4.356
  324    QE2  GLN  31           QE2      GLN  31  -2.436  -9.619   3.760
  325    H    THR  32           HN       THR  32   2.807  -7.699   1.194
  326    HA   THR  32           HA       THR  32   3.765  -5.222  -0.050
  327    HB   THR  32           HB       THR  32   5.271  -6.581  -1.285
  328    HG1  THR  32          1HG       THR  32   3.807  -8.813  -0.302
  329   1HG2  THR  32          1HG2      THR  32   5.770  -6.205   1.145
  330   2HG2  THR  32          2HG2      THR  32   5.127  -7.818   1.508
  331   3HG2  THR  32          3HG2      THR  32   6.549  -7.644   0.467
  332    QG2  THR  32           QG2      THR  32   5.815  -7.222   1.040
  333    H    PHE  33           HN       PHE  33   3.500  -4.883  -2.424
  334    HA   PHE  33           HA       PHE  33   1.950  -6.700  -3.994
  335   1HB   PHE  33          2HB       PHE  33   0.087  -5.396  -4.551
  336   2HB   PHE  33          3HB       PHE  33   0.113  -5.382  -2.805
  337    HD1  PHE  33          2HD       PHE  33   1.526  -3.248  -1.781
  338    HD2  PHE  33          1HD       PHE  33  -0.471  -3.395  -5.604
  339    HE1  PHE  33          2HE       PHE  33   1.196  -0.784  -1.728
  340    HE2  PHE  33          1HE       PHE  33  -0.761  -0.955  -5.552
  341    HZ   PHE  33           HZ       PHE  33   0.043   0.362  -3.593
  342    QB   PHE  33           QB       PHE  33   0.100  -5.389  -3.678
  343    QR   PHE  33           QR       PHE  33   0.372  -2.096  -3.666
  344    H    VAL  34           HN       VAL  34   1.834  -5.787  -6.317
  345    HA   VAL  34           HA       VAL  34   4.254  -4.176  -6.929
  346    HB   VAL  34           HB       VAL  34   2.215  -5.514  -8.762
  347   1HG1  VAL  34          3HG1      VAL  34   4.772  -3.935  -9.296
  348   2HG1  VAL  34          1HG1      VAL  34   3.970  -4.958 -10.512
  349   3HG1  VAL  34          2HG1      VAL  34   3.156  -3.532  -9.882
  350   1HG2  VAL  34          3HG2      VAL  34   3.705  -7.128  -7.542
  351   2HG2  VAL  34          1HG2      VAL  34   3.999  -7.093  -9.289
  352   3HG2  VAL  34          2HG2      VAL  34   5.111  -6.258  -8.189
  353    QG1  VAL  34           QG1      VAL  34   3.966  -4.142  -9.897
  354    QG2  VAL  34           QG2      VAL  34   4.272  -6.826  -8.340
  355    QQG  VAL  34           QQG      VAL  34   4.119  -5.484  -9.118
  356    H    TYR  35           HN       TYR  35   4.022  -2.028  -7.246
  357    HA   TYR  35           HA       TYR  35   1.325  -0.837  -7.669
  358   1HB   TYR  35          2HB       TYR  35   2.295  -0.208  -5.540
  359   2HB   TYR  35          3HB       TYR  35   3.852   0.132  -6.304
  360    HD1  TYR  35           HD1      TYR  35   0.250   1.193  -6.559
  361    HD2  TYR  35           HD2      TYR  35   4.389   2.376  -6.658
  362    HE1  TYR  35           HE1      TYR  35  -0.417   3.515  -7.167
  363    HE2  TYR  35           HE2      TYR  35   3.671   4.719  -7.205
  364    HH   TYR  35           HH       TYR  35   0.429   5.267  -8.447
  365    QB   TYR  35           QB       TYR  35   3.074  -0.038  -5.922
  366    QR   TYR  35           QR       TYR  35   1.973   2.951  -6.897
  367    H    GLY  36           HN       GLY  36   1.204   0.677  -9.399
  368   1HA   GLY  36          1HA       GLY  36   2.935   0.166 -11.601
  369   2HA   GLY  36          2HA       GLY  36   1.634   1.356 -11.538
  370    QA   GLY  36           QA       GLY  36   2.285   0.761 -11.569
  371    H    GLY  37           HN       GLY  37   2.139   3.389 -10.193
  372   1HA   GLY  37          1HA       GLY  37   4.644   4.353  -9.570
  373   2HA   GLY  37          2HA       GLY  37   4.574   4.540 -11.328
  374    QA   GLY  37           QA       GLY  37   4.609   4.447 -10.449
  375    H    CYS  38           HN       CYS  38   1.869   5.186 -11.681
  376    HA   CYS  38           HA       CYS  38   1.732   7.902 -10.452
  377   1HB   CYS  38          2HB       CYS  38   0.401   8.579 -12.298
  378   2HB   CYS  38          3HB       CYS  38   1.880   7.869 -12.920
  379    QB   CYS  38           QB       CYS  38   1.140   8.224 -12.609
  380    H    ARG  39           HN       ARG  39  -0.530   8.709 -10.189
  381    HA   ARG  39           HA       ARG  39  -2.523   8.644  -9.112
  382   1HB   ARG  39          2HB       ARG  39  -2.762   6.003 -10.606
  383   2HB   ARG  39          3HB       ARG  39  -4.111   6.840  -9.854
  384   1HG   ARG  39          2HG       ARG  39  -2.431   8.374 -11.850
  385   2HG   ARG  39          3HG       ARG  39  -3.508   7.128 -12.452
  386   1HD   ARG  39          2HD       ARG  39  -4.431   9.339 -10.565
  387   2HD   ARG  39          3HD       ARG  39  -4.451   9.537 -12.304
  388    HE   ARG  39           HE       ARG  39  -6.323   8.057 -10.680
  389   1HH1  ARG  39          2HH2      ARG  39  -4.916   8.228 -13.903
  390   2HH1  ARG  39          1HH2      ARG  39  -6.237   7.443 -14.711
  391   1HH2  ARG  39          2HH1      ARG  39  -8.076   6.917 -11.698
  392   2HH2  ARG  39          1HH1      ARG  39  -8.059   6.654 -13.407
  393    QB   ARG  39           QB       ARG  39  -3.437   6.422 -10.230
  394    QG   ARG  39           QG       ARG  39  -2.970   7.751 -12.151
  395    QD   ARG  39           QD       ARG  39  -4.441   9.438 -11.435
  396    QH1  ARG  39           QH2      ARG  39  -5.576   7.836 -14.307
  397    QH2  ARG  39           QH1      ARG  39  -8.067   6.785 -12.552
  398    H    ALA  40           HN       ALA  40  -0.343   7.811  -7.551
  399    HA   ALA  40           HA       ALA  40  -0.698   5.445  -6.059
  400   1HB   ALA  40          1HB       ALA  40   1.351   6.872  -6.060
  401   2HB   ALA  40          2HB       ALA  40   0.481   8.025  -5.032
  402   3HB   ALA  40          3HB       ALA  40   0.779   6.368  -4.467
  403    QB   ALA  40           QB       ALA  40   0.870   7.088  -5.186
  404    H    LYS  41           HN       LYS  41  -1.535   5.187  -3.870
  405    HA   LYS  41           HA       LYS  41  -3.599   7.161  -2.991
  406   1HB   LYS  41          2HB       LYS  41  -3.544   4.131  -3.013
  407   2HB   LYS  41          3HB       LYS  41  -4.335   4.895  -1.689
  408   1HG   LYS  41          2HG       LYS  41  -6.097   4.680  -3.042
  409   2HG   LYS  41          3HG       LYS  41  -5.636   6.357  -3.274
  410   1HD   LYS  41          2HD       LYS  41  -4.060   5.130  -5.195
  411   2HD   LYS  41          3HD       LYS  41  -5.356   3.959  -4.999
  412   1HE   LYS  41          2HE       LYS  41  -7.006   5.774  -5.576
  413   2HE   LYS  41          3HE       LYS  41  -5.701   6.978  -5.503
  414   1HZ   LYS  41          1HZ       LYS  41  -4.644   5.912  -7.356
  415   2HZ   LYS  41          2HZ       LYS  41  -5.884   4.835  -7.486
  416   3HZ   LYS  41          3HZ       LYS  41  -6.160   6.436  -7.751
  417    QB   LYS  41           QB       LYS  41  -3.939   4.513  -2.351
  418    QG   LYS  41           QG       LYS  41  -5.866   5.518  -3.158
  419    QD   LYS  41           QD       LYS  41  -4.708   4.545  -5.097
  420    QE   LYS  41           QE       LYS  41  -6.354   6.376  -5.539
  421    QZ   LYS  41           QZ       LYS  41  -5.563   5.728  -7.531
  422    H    ARG  42           HN       ARG  42  -4.000   6.484  -0.497
  423    HA   ARG  42           HA       ARG  42  -1.534   7.581   0.729
  424   1HB   ARG  42          2HB       ARG  42  -4.350   7.151   1.811
  425   2HB   ARG  42          3HB       ARG  42  -2.954   7.548   2.830
  426   1HG   ARG  42          2HG       ARG  42  -2.570   9.515   1.165
  427   2HG   ARG  42          3HG       ARG  42  -4.259   9.256   0.725
  428   1HD   ARG  42          2HD       ARG  42  -3.984   9.245   3.674
  429   2HD   ARG  42          3HD       ARG  42  -3.085  10.588   3.010
  430    HE   ARG  42           HE       ARG  42  -4.956  11.644   2.404
  431   1HH1  ARG  42          2HH2      ARG  42  -5.781   8.314   2.820
  432   2HH1  ARG  42          1HH2      ARG  42  -7.502   8.524   3.026
  433   1HH2  ARG  42          2HH1      ARG  42  -7.255  12.079   2.769
  434   2HH2  ARG  42          1HH1      ARG  42  -8.347  10.754   2.991
  435    QB   ARG  42           QB       ARG  42  -3.652   7.349   2.320
  436    QG   ARG  42           QG       ARG  42  -3.415   9.386   0.945
  437    QD   ARG  42           QD       ARG  42  -3.534   9.917   3.342
  438    QH1  ARG  42           QH2      ARG  42  -6.642   8.419   2.923
  439    QH2  ARG  42           QH1      ARG  42  -7.801  11.417   2.880
  440    H    ASN  43           HN       ASN  43  -3.540   4.609   0.895
  441    HA   ASN  43           HA       ASN  43  -1.788   3.325   2.780
  442   1HB   ASN  43          2HB       ASN  43  -4.173   2.932   2.380
  443   2HB   ASN  43          3HB       ASN  43  -3.821   2.133   0.840
  444   1HD2  ASN  43          2HD2      ASN  43  -4.030  -0.788   3.037
  445   2HD2  ASN  43          1HD2      ASN  43  -4.828   0.094   1.755
  446    QB   ASN  43           QB       ASN  43  -3.997   2.532   1.610
  447    QD2  ASN  43           QD2      ASN  43  -4.429  -0.347   2.396
  448    H    ASN  44           HN       ASN  44   0.122   4.129   1.330
  449    HA   ASN  44           HA       ASN  44   1.111   1.902  -0.404
  450   1HB   ASN  44          2HB       ASN  44   0.094   3.631  -1.837
  451   2HB   ASN  44          3HB       ASN  44   1.115   4.867  -1.101
  452   1HD2  ASN  44          2HD2      ASN  44   2.531   3.094  -4.338
  453   2HD2  ASN  44          1HD2      ASN  44   0.845   3.239  -3.924
  454    QB   ASN  44           QB       ASN  44   0.604   4.249  -1.469
  455    QD2  ASN  44           QD2      ASN  44   1.688   3.167  -4.131
  456    H    PHE  45           HN       PHE  45   2.580   1.248   1.218
  457    HA   PHE  45           HA       PHE  45   4.527   3.289   2.222
  458   1HB   PHE  45          2HB       PHE  45   3.851   0.582   3.384
  459   2HB   PHE  45          3HB       PHE  45   4.758   1.879   4.157
  460    HD1  PHE  45          2HD       PHE  45   3.445   4.224   4.260
  461    HD2  PHE  45          1HD       PHE  45   1.550   0.364   3.911
  462    HE1  PHE  45          2HE       PHE  45   1.314   5.187   5.023
  463    HE2  PHE  45          1HE       PHE  45  -0.478   1.274   5.012
  464    HZ   PHE  45           HZ       PHE  45  -0.622   3.693   5.523
  465    QB   PHE  45           QB       PHE  45   4.305   1.231   3.770
  466    QR   PHE  45           QR       PHE  45   1.458   2.762   4.551
  467    H    LYS  46           HN       LYS  46   6.730   2.341   2.694
  468    HA   LYS  46           HA       LYS  46   7.629   0.662   0.392
  469   1HB   LYS  46          2HB       LYS  46   9.289   2.451   2.206
  470   2HB   LYS  46          3HB       LYS  46   9.716   1.709   0.658
  471   1HG   LYS  46          2HG       LYS  46   7.474   3.081  -0.058
  472   2HG   LYS  46          3HG       LYS  46   8.048   4.110   1.266
  473   1HD   LYS  46          2HD       LYS  46  10.361   4.019   0.197
  474   2HD   LYS  46          3HD       LYS  46   9.622   3.271  -1.224
  475   1HE   LYS  46          2HE       LYS  46   8.744   5.250  -1.980
  476   2HE   LYS  46          3HE       LYS  46   8.244   5.768  -0.366
  477   1HZ   LYS  46          3HZ       LYS  46  10.994   5.946  -1.403
  478   2HZ   LYS  46          1HZ       LYS  46   9.937   7.195  -1.234
  479   3HZ   LYS  46          2HZ       LYS  46  10.494   6.410   0.094
  480    QB   LYS  46           QB       LYS  46   9.503   2.080   1.432
  481    QG   LYS  46           QG       LYS  46   7.761   3.596   0.604
  482    QD   LYS  46           QD       LYS  46   9.991   3.645  -0.514
  483    QE   LYS  46           QE       LYS  46   8.494   5.509  -1.173
  484    QZ   LYS  46           QZ       LYS  46  10.475   6.517  -0.848
  485    H    SER  47           HN       SER  47   7.039   0.515   3.717
  486    HA   SER  47           HA       SER  47   8.500  -2.015   3.979
  487   1HB   SER  47          2HB       SER  47   9.872  -1.301   5.816
  488   2HB   SER  47          3HB       SER  47  10.132  -0.097   4.546
  489    HG   SER  47           HG       SER  47   9.355   1.359   5.909
  490    QB   SER  47           QB       SER  47  10.002  -0.699   5.181
  491    H    ALA  48           HN       ALA  48   7.847  -3.181   5.889
  492    HA   ALA  48           HA       ALA  48   5.147  -2.744   6.759
  493   1HB   ALA  48          2HB       ALA  48   7.383  -4.569   7.682
  494   2HB   ALA  48          3HB       ALA  48   5.862  -4.443   8.579
  495   3HB   ALA  48          1HB       ALA  48   5.845  -4.979   6.895
  496    QB   ALA  48           QB       ALA  48   6.364  -4.664   7.718
  497    H    GLU  49           HN       GLU  49   8.353  -1.872   8.161
  498    HA   GLU  49           HA       GLU  49   7.278  -0.958  10.615
  499   1HB   GLU  49          2HB       GLU  49   9.372   0.281  10.890
  500   2HB   GLU  49          3HB       GLU  49   9.604  -1.416  10.474
  501   1HG   GLU  49          2HG       GLU  49  10.115  -0.773   8.126
  502   2HG   GLU  49          3HG       GLU  49   9.918   0.939   8.564
  503    QB   GLU  49           QB       GLU  49   9.488  -0.567  10.682
  504    QG   GLU  49           QG       GLU  49  10.017   0.083   8.345
  505    H    ASP  50           HN       ASP  50   7.856   0.852   7.537
  506    HA   ASP  50           HA       ASP  50   6.998   3.374   8.635
  507   1HB   ASP  50          2HB       ASP  50   7.160   2.410   5.758
  508   2HB   ASP  50          3HB       ASP  50   6.689   4.049   6.232
  509    QB   ASP  50           QB       ASP  50   6.925   3.229   5.995
  510    H    CYS  51           HN       CYS  51   5.331   0.846   6.772
  511    HA   CYS  51           HA       CYS  51   2.729   1.944   6.709
  512   1HB   CYS  51          2HB       CYS  51   3.239  -0.097   5.540
  513   2HB   CYS  51          3HB       CYS  51   3.739  -0.891   7.006
  514    QB   CYS  51           QB       CYS  51   3.489  -0.494   6.273
  515    H    MET  52           HN       MET  52   4.143  -0.097   9.304
  516    HA   MET  52           HA       MET  52   1.924   0.281  11.056
  517   1HB   MET  52          2HB       MET  52   4.479  -1.085  11.146
  518   2HB   MET  52          3HB       MET  52   4.268  -0.197  12.642
  519   1HG   MET  52          2HG       MET  52   2.324  -1.331  13.227
  520   2HG   MET  52          3HG       MET  52   1.973  -1.872  11.579
  521   1HE   MET  52          1HE       MET  52   4.177  -3.322  10.344
  522   2HE   MET  52          2HE       MET  52   4.081  -4.959  11.011
  523   3HE   MET  52          3HE       MET  52   2.602  -4.094  10.582
  524    QB   MET  52           QB       MET  52   4.373  -0.641  11.894
  525    QG   MET  52           QG       MET  52   2.149  -1.601  12.403
  526    QE   MET  52           QE       MET  52   3.620  -4.125  10.646
  527    H    ARG  53           HN       ARG  53   4.945   2.185  10.777
  528    HA   ARG  53           HA       ARG  53   4.503   3.942  12.967
  529   1HB   ARG  53          2HB       ARG  53   5.789   4.376  10.252
  530   2HB   ARG  53          3HB       ARG  53   5.794   5.599  11.519
  531   1HG   ARG  53          2HG       ARG  53   7.177   4.392  12.936
  532   2HG   ARG  53          3HG       ARG  53   6.813   2.838  12.208
  533   1HD   ARG  53          2HD       ARG  53   8.378   3.012  10.577
  534   2HD   ARG  53          3HD       ARG  53   8.120   4.710  10.274
  535    HE   ARG  53           HE       ARG  53  10.119   3.478  11.921
  536   1HH1  ARG  53          2HH2      ARG  53   8.119   6.326  11.589
  537   2HH1  ARG  53          1HH2      ARG  53   9.176   7.428  12.421
  538   1HH2  ARG  53          2HH1      ARG  53  11.572   4.862  13.116
  539   2HH2  ARG  53          1HH1      ARG  53  11.202   6.543  13.342
  540    QB   ARG  53           QB       ARG  53   5.791   4.988  10.885
  541    QG   ARG  53           QG       ARG  53   6.995   3.615  12.572
  542    QD   ARG  53           QD       ARG  53   8.249   3.861  10.426
  543    QH1  ARG  53           QH2      ARG  53   8.648   6.877  12.005
  544    QH2  ARG  53           QH1      ARG  53  11.387   5.702  13.229
  545    H    THR  54           HN       THR  54   3.231   3.984   9.627
  546    HA   THR  54           HA       THR  54   1.753   6.446  10.054
  547    HB   THR  54           HB       THR  54   1.626   4.386   7.817
  548    HG1  THR  54          1HG       THR  54   3.636   5.300   8.006
  549   1HG2  THR  54          1HG2      THR  54   0.354   7.114   8.215
  550   2HG2  THR  54          2HG2      THR  54   0.794   6.570   6.597
  551   3HG2  THR  54          3HG2      THR  54  -0.345   5.618   7.561
  552    QG2  THR  54           QG2      THR  54   0.268   6.434   7.458
  553    H    CYS  55           HN       CYS  55   0.903   2.962  10.141
  554    HA   CYS  55           HA       CYS  55  -1.818   3.662  11.118
  555   1HB   CYS  55          2HB       CYS  55  -1.506   3.544   8.516
  556   2HB   CYS  55          3HB       CYS  55  -1.610   1.795   8.747
  557    QB   CYS  55           QB       CYS  55  -1.558   2.669   8.631
  558    H    GLY  56           HN       GLY  56   0.440   2.295  12.423
  559   1HA   GLY  56          1HA       GLY  56  -0.048  -0.486  12.587
  560   2HA   GLY  56          2HA       GLY  56   0.734   0.523  13.816
  561    QA   GLY  56           QA       GLY  56   0.343   0.019  13.202
  562    H    GLY  57           HN       GLY  57  -1.793   2.239  13.992
  563   1HA   GLY  57          1HA       GLY  57  -3.061   0.880  16.194
  564   2HA   GLY  57          2HA       GLY  57  -3.603   2.365  15.390
  565    QA   GLY  57           QA       GLY  57  -3.332   1.623  15.792
  566    H    ALA  58           HN       ALA  58  -4.159  -0.963  15.761
  567    HA   ALA  58           HA       ALA  58  -5.355  -1.544  13.229
  568   1HB   ALA  58          3HB       ALA  58  -4.334  -3.268  14.681
  569   2HB   ALA  58          1HB       ALA  58  -5.606  -2.987  15.895
  570   3HB   ALA  58          2HB       ALA  58  -6.026  -3.647  14.302
  571    QB   ALA  58           QB       ALA  58  -5.322  -3.301  14.959
   
  No H/Q in entry =         571
  Start of MODEL   15
    1    H    ARG   1           HN       ARG   1  -9.589   3.870  13.702
    2    HA   ARG   1           HA       ARG   1  -6.837   4.497  13.318
    3   1HB   ARG   1          2HB       ARG   1  -6.336   2.513  11.835
    4   2HB   ARG   1          3HB       ARG   1  -6.351   2.259  13.562
    5   1HG   ARG   1          2HG       ARG   1  -7.230   0.364  12.734
    6   2HG   ARG   1          3HG       ARG   1  -8.692   1.183  13.254
    7   1HD   ARG   1          2HD       ARG   1  -7.601   1.290  10.376
    8   2HD   ARG   1          3HD       ARG   1  -8.544  -0.077  10.902
    9    HE   ARG   1           HE       ARG   1  -9.462   2.526  10.107
   10   1HH1  ARG   1          2HH2      ARG   1 -10.241  -0.168  12.214
   11   2HH1  ARG   1          1HH2      ARG   1 -11.966  -0.007  12.107
   12   1HH2  ARG   1          2HH1      ARG   1 -11.828   2.870   9.966
   13   2HH2  ARG   1          1HH1      ARG   1 -12.860   1.787  10.803
   14    QB   ARG   1           QB       ARG   1  -6.344   2.386  12.699
   15    QG   ARG   1           QG       ARG   1  -7.961   0.773  12.994
   16    QD   ARG   1           QD       ARG   1  -8.073   0.607  10.639
   17    QH1  ARG   1           QH2      ARG   1 -11.103  -0.087  12.160
   18    QH2  ARG   1           QH1      ARG   1 -12.344   2.328  10.384
   19    HA   PRO   2           HA       PRO   2  -8.616   6.440   9.828
   20   1HB   PRO   2          2HB       PRO   2  -6.642   5.840   7.841
   21   2HB   PRO   2          3HB       PRO   2  -6.767   7.295   8.860
   22   1HG   PRO   2          2HG       PRO   2  -4.997   4.931   9.123
   23   2HG   PRO   2          3HG       PRO   2  -4.710   6.522   9.802
   24   1HD   PRO   2          2HD       PRO   2  -5.455   4.432  11.342
   25   2HD   PRO   2          3HD       PRO   2  -5.910   6.110  11.724
   26    QB   PRO   2           QB       PRO   2  -6.704   6.568   8.350
   27    QG   PRO   2           QG       PRO   2  -4.853   5.726   9.463
   28    QD   PRO   2           QD       PRO   2  -5.683   5.271  11.533
   29    H    ASP   3           HN       ASP   3  -9.736   6.049   7.804
   30    HA   ASP   3           HA       ASP   3 -10.482   3.280   7.482
   31   1HB   ASP   3          2HB       ASP   3 -11.665   5.855   6.381
   32   2HB   ASP   3          3HB       ASP   3 -12.390   4.249   6.245
   33    QB   ASP   3           QB       ASP   3 -12.027   5.052   6.313
   34    H    PHE   4           HN       PHE   4  -8.734   5.791   5.760
   35    HA   PHE   4           HA       PHE   4  -8.795   4.510   3.167
   36   1HB   PHE   4          2HB       PHE   4  -7.056   5.945   2.554
   37   2HB   PHE   4          3HB       PHE   4  -8.112   6.889   3.616
   38    HD1  PHE   4          1HD       PHE   4  -4.861   5.047   3.298
   39    HD2  PHE   4          2HD       PHE   4  -7.102   7.954   5.564
   40    HE1  PHE   4          1HE       PHE   4  -3.107   5.038   5.034
   41    HE2  PHE   4          2HE       PHE   4  -5.226   8.111   7.180
   42    HZ   PHE   4           HZ       PHE   4  -3.407   6.417   7.103
   43    QB   PHE   4           QB       PHE   4  -7.584   6.417   3.085
   44    QR   PHE   4           QR       PHE   4  -5.074   6.538   5.269
   45    H    CYS   5           HN       CYS   5  -7.106   3.983   6.161
   46    HA   CYS   5           HA       CYS   5  -4.889   2.501   5.353
   47   1HB   CYS   5          2HB       CYS   5  -5.588   3.343   7.615
   48   2HB   CYS   5          3HB       CYS   5  -6.640   1.932   7.779
   49    QB   CYS   5           QB       CYS   5  -6.114   2.637   7.697
   50    H    LEU   6           HN       LEU   6  -8.284   1.676   5.038
   51    HA   LEU   6           HA       LEU   6  -7.682  -1.199   4.633
   52   1HB   LEU   6          2HB       LEU   6 -10.344   0.257   4.790
   53   2HB   LEU   6          3HB       LEU   6 -10.057  -1.484   4.731
   54    HG   LEU   6           HG       LEU   6  -8.538  -0.827   6.932
   55   1HD1  LEU   6          2HD1      LEU   6 -10.842   1.119   6.947
   56   2HD1  LEU   6          3HD1      LEU   6  -9.857   0.663   8.354
   57   3HD1  LEU   6          1HD1      LEU   6  -9.090   1.494   7.009
   58   1HD2  LEU   6          1HD2      LEU   6 -10.324  -2.572   6.768
   59   2HD2  LEU   6          2HD2      LEU   6 -10.401  -1.650   8.282
   60   3HD2  LEU   6          3HD2      LEU   6 -11.542  -1.297   6.959
   61    QB   LEU   6           QB       LEU   6 -10.201  -0.614   4.760
   62    QD1  LEU   6           QD1      LEU   6  -9.930   1.092   7.437
   63    QD2  LEU   6           QD2      LEU   6 -10.755  -1.840   7.336
   64    QQD  LEU   6           QQD      LEU   6 -10.343  -0.374   7.386
   65    H    GLU   7           HN       GLU   7  -7.518   1.550   2.653
   66    HA   GLU   7           HA       GLU   7  -9.283   0.791   0.593
   67   1HB   GLU   7          2HB       GLU   7  -8.305   2.513  -0.695
   68   2HB   GLU   7          3HB       GLU   7  -8.512   3.091   0.955
   69   1HG   GLU   7          2HG       GLU   7  -5.951   2.402   1.055
   70   2HG   GLU   7          3HG       GLU   7  -6.040   2.509  -0.685
   71    QB   GLU   7           QB       GLU   7  -8.408   2.802   0.130
   72    QG   GLU   7           QG       GLU   7  -5.996   2.455   0.185
   73    HA   PRO   8           HA       PRO   8  -7.143  -2.567  -1.141
   74   1HB   PRO   8          2HB       PRO   8  -7.983  -2.583  -3.786
   75   2HB   PRO   8          3HB       PRO   8  -9.044  -2.981  -2.405
   76   1HG   PRO   8          2HG       PRO   8  -8.733  -0.296  -3.779
   77   2HG   PRO   8          3HG       PRO   8 -10.254  -1.178  -3.437
   78   1HD   PRO   8          2HD       PRO   8  -9.405   0.756  -1.775
   79   2HD   PRO   8          3HD       PRO   8 -10.049  -0.767  -1.089
   80    QB   PRO   8           QB       PRO   8  -8.513  -2.782  -3.096
   81    QG   PRO   8           QG       PRO   8  -9.493  -0.737  -3.608
   82    QD   PRO   8           QD       PRO   8  -9.727  -0.006  -1.432
   83    HA   PRO   9           HA       PRO   9  -3.355  -1.183  -2.911
   84   1HB   PRO   9          2HB       PRO   9  -2.409  -3.397  -4.210
   85   2HB   PRO   9          3HB       PRO   9  -2.561  -3.262  -2.425
   86   1HG   PRO   9          2HG       PRO   9  -4.512  -4.528  -4.387
   87   2HG   PRO   9          3HG       PRO   9  -3.834  -5.258  -2.899
   88   1HD   PRO   9          2HD       PRO   9  -6.261  -4.066  -2.885
   89   2HD   PRO   9          3HD       PRO   9  -5.138  -3.834  -1.514
   90    QB   PRO   9           QB       PRO   9  -2.485  -3.330  -3.318
   91    QG   PRO   9           QG       PRO   9  -4.173  -4.893  -3.643
   92    QD   PRO   9           QD       PRO   9  -5.700  -3.950  -2.200
   93    H    TYR  10           HN       TYR  10  -4.339   0.412  -4.219
   94    HA   TYR  10           HA       TYR  10  -5.159  -0.092  -6.932
   95   1HB   TYR  10          2HB       TYR  10  -5.926   1.670  -5.215
   96   2HB   TYR  10          3HB       TYR  10  -4.501   2.574  -5.700
   97    HD1  TYR  10           HD2      TYR  10  -4.306   3.338  -8.150
   98    HD2  TYR  10           HD1      TYR  10  -7.925   1.706  -6.455
   99    HE1  TYR  10           HE2      TYR  10  -5.638   4.398  -9.951
  100    HE2  TYR  10           HE1      TYR  10  -9.249   2.797  -8.243
  101    HH   TYR  10           HH       TYR  10  -7.758   4.640 -10.900
  102    QB   TYR  10           QB       TYR  10  -5.213   2.122  -5.457
  103    QR   TYR  10           QR       TYR  10  -6.780   3.060  -8.200
  104    H    THR  11           HN       THR  11  -3.692  -0.601  -8.472
  105    HA   THR  11           HA       THR  11  -0.935   0.074  -8.302
  106    HB   THR  11           HB       THR  11  -2.677  -1.427 -10.230
  107    HG1  THR  11          1HG       THR  11  -1.024  -2.981  -9.521
  108   1HG2  THR  11          2HG2      THR  11  -0.980  -0.286 -11.744
  109   2HG2  THR  11          3HG2      THR  11   0.280  -1.090 -10.779
  110   3HG2  THR  11          1HG2      THR  11  -0.897  -2.045 -11.670
  111    QG2  THR  11           QG2      THR  11  -0.532  -1.140 -11.398
  112    H    GLY  12           HN       GLY  12  -3.572   1.560 -10.059
  113   1HA   GLY  12          1HA       GLY  12  -3.574   3.733 -10.917
  114   2HA   GLY  12          2HA       GLY  12  -1.808   3.782 -10.951
  115    QA   GLY  12           QA       GLY  12  -2.691   3.757 -10.934
  116    HA   PRO  13           HA       PRO  13  -3.607   2.221 -15.138
  117   1HB   PRO  13          2HB       PRO  13  -4.110   4.461 -16.580
  118   2HB   PRO  13          3HB       PRO  13  -5.270   3.861 -15.364
  119   1HG   PRO  13          2HG       PRO  13  -3.158   6.010 -14.958
  120   2HG   PRO  13          3HG       PRO  13  -4.912   6.133 -14.626
  121   1HD   PRO  13          2HD       PRO  13  -3.121   5.471 -12.672
  122   2HD   PRO  13          3HD       PRO  13  -4.738   4.704 -12.742
  123    QB   PRO  13           QB       PRO  13  -4.690   4.161 -15.972
  124    QG   PRO  13           QG       PRO  13  -4.035   6.071 -14.792
  125    QD   PRO  13           QD       PRO  13  -3.930   5.088 -12.707
  126    H    CYS  14           HN       CYS  14  -1.203   1.801 -14.503
  127    HA   CYS  14           HA       CYS  14   0.703   3.468 -16.099
  128   1HB   CYS  14          2HB       CYS  14   0.917   2.496 -13.241
  129   2HB   CYS  14          3HB       CYS  14   2.150   3.438 -14.096
  130    QB   CYS  14           QB       CYS  14   1.533   2.967 -13.669
  131    H    LYS  15           HN       LYS  15   2.507   2.326 -16.824
  132    HA   LYS  15           HA       LYS  15   2.026  -0.621 -16.972
  133   1HB   LYS  15          2HB       LYS  15   3.439   1.239 -18.907
  134   2HB   LYS  15          3HB       LYS  15   3.246  -0.523 -19.069
  135   1HG   LYS  15          2HG       LYS  15   0.803  -0.318 -19.089
  136   2HG   LYS  15          3HG       LYS  15   0.912   1.412 -18.802
  137   1HD   LYS  15          2HD       LYS  15   0.362   1.107 -21.059
  138   2HD   LYS  15          3HD       LYS  15   1.993   1.757 -21.014
  139   1HE   LYS  15          2HE       LYS  15   1.390  -1.239 -21.317
  140   2HE   LYS  15          3HE       LYS  15   1.402  -0.141 -22.698
  141   1HZ   LYS  15          2HZ       LYS  15   3.712  -0.557 -20.937
  142   2HZ   LYS  15          3HZ       LYS  15   3.501  -1.239 -22.417
  143   3HZ   LYS  15          1HZ       LYS  15   3.662   0.390 -22.279
  144    QB   LYS  15           QB       LYS  15   3.343   0.358 -18.988
  145    QG   LYS  15           QG       LYS  15   0.857   0.547 -18.946
  146    QD   LYS  15           QD       LYS  15   1.177   1.432 -21.036
  147    QE   LYS  15           QE       LYS  15   1.396  -0.690 -22.007
  148    QZ   LYS  15           QZ       LYS  15   3.625  -0.469 -21.877
  149    H    ALA  16           HN       ALA  16   4.112   1.429 -15.368
  150    HA   ALA  16           HA       ALA  16   6.469  -0.332 -15.379
  151   1HB   ALA  16          3HB       ALA  16   5.675   2.113 -13.732
  152   2HB   ALA  16          1HB       ALA  16   7.203   1.234 -13.541
  153   3HB   ALA  16          2HB       ALA  16   6.831   2.053 -15.068
  154    QB   ALA  16           QB       ALA  16   6.570   1.800 -14.114
  155    H    ARG  17           HN       ARG  17   7.137  -0.971 -12.918
  156    HA   ARG  17           HA       ARG  17   4.868  -1.929 -11.348
  157   1HB   ARG  17          2HB       ARG  17   7.088  -3.824 -12.184
  158   2HB   ARG  17          3HB       ARG  17   5.604  -4.188 -11.386
  159   1HG   ARG  17          2HG       ARG  17   4.338  -3.545 -13.448
  160   2HG   ARG  17          3HG       ARG  17   5.916  -3.232 -14.223
  161   1HD   ARG  17          2HD       ARG  17   6.151  -5.853 -13.293
  162   2HD   ARG  17          3HD       ARG  17   4.489  -5.790 -13.871
  163    HE   ARG  17           HE       ARG  17   6.741  -6.104 -15.455
  164   1HH1  ARG  17          2HH2      ARG  17   3.972  -3.963 -15.462
  165   2HH1  ARG  17          1HH2      ARG  17   4.470  -3.028 -16.831
  166   1HH2  ARG  17          2HH1      ARG  17   7.156  -5.285 -17.595
  167   2HH2  ARG  17          1HH1      ARG  17   6.061  -4.137 -18.300
  168    QB   ARG  17           QB       ARG  17   6.346  -4.006 -11.785
  169    QG   ARG  17           QG       ARG  17   5.127  -3.389 -13.835
  170    QD   ARG  17           QD       ARG  17   5.320  -5.822 -13.582
  171    QH1  ARG  17           QH2      ARG  17   4.221  -3.496 -16.147
  172    QH2  ARG  17           QH1      ARG  17   6.609  -4.711 -17.947
  173    H    ILE  18           HN       ILE  18   5.448  -1.573  -9.226
  174    HA   ILE  18           HA       ILE  18   8.305  -1.409  -8.407
  175    HB   ILE  18           HB       ILE  18   6.126   0.637  -7.756
  176   1HG1  ILE  18          2HG1      ILE  18   8.312   0.672  -9.840
  177   2HG1  ILE  18          3HG1      ILE  18   6.570   0.967 -10.027
  178   1HG2  ILE  18          1HG2      ILE  18   7.923   0.300  -6.026
  179   2HG2  ILE  18          2HG2      ILE  18   9.129   0.735  -7.254
  180   3HG2  ILE  18          3HG2      ILE  18   7.909   1.915  -6.717
  181   1HD1  ILE  18          1HD1      ILE  18   6.890   3.071  -8.630
  182   2HD1  ILE  18          2HD1      ILE  18   8.643   2.809  -8.795
  183   3HD1  ILE  18          3HD1      ILE  18   7.652   3.073 -10.238
  184    QG1  ILE  18           QG1      ILE  18   7.441   0.820  -9.933
  185    QG2  ILE  18           QG2      ILE  18   8.320   0.984  -6.665
  186    QD1  ILE  18           QD1      ILE  18   7.728   2.985  -9.221
  187    H    ILE  19           HN       ILE  19   8.507  -2.732  -6.596
  188    HA   ILE  19           HA       ILE  19   6.219  -3.816  -5.248
  189    HB   ILE  19           HB       ILE  19   9.088  -3.578  -4.270
  190   1HG1  ILE  19          2HG1      ILE  19   9.041  -4.812  -6.387
  191   2HG1  ILE  19          3HG1      ILE  19   9.446  -5.849  -5.026
  192   1HG2  ILE  19          3HG2      ILE  19   6.750  -5.278  -3.304
  193   2HG2  ILE  19          1HG2      ILE  19   8.442  -5.558  -2.840
  194   3HG2  ILE  19          2HG2      ILE  19   7.642  -4.047  -2.396
  195   1HD1  ILE  19          1HD1      ILE  19   6.709  -5.708  -6.356
  196   2HD1  ILE  19          2HD1      ILE  19   7.928  -6.966  -6.600
  197   3HD1  ILE  19          3HD1      ILE  19   7.158  -6.788  -5.016
  198    QG1  ILE  19           QG1      ILE  19   9.243  -5.331  -5.706
  199    QG2  ILE  19           QG2      ILE  19   7.612  -4.961  -2.847
  200    QD1  ILE  19           QD1      ILE  19   7.265  -6.487  -5.991
  201    H    ARG  20           HN       ARG  20   4.945  -2.909  -3.738
  202    HA   ARG  20           HA       ARG  20   5.999  -0.812  -1.950
  203   1HB   ARG  20          2HB       ARG  20   3.439  -0.658  -3.625
  204   2HB   ARG  20          3HB       ARG  20   3.717   0.370  -2.219
  205   1HG   ARG  20          2HG       ARG  20   5.461   0.336  -4.724
  206   2HG   ARG  20          3HG       ARG  20   4.206   1.515  -4.308
  207   1HD   ARG  20          2HD       ARG  20   5.894   1.366  -2.045
  208   2HD   ARG  20          3HD       ARG  20   6.987   1.351  -3.361
  209    HE   ARG  20           HE       ARG  20   5.947   3.420  -4.234
  210   1HH1  ARG  20          2HH2      ARG  20   5.232   2.588  -0.835
  211   2HH1  ARG  20          1HH2      ARG  20   4.483   4.116  -0.496
  212   1HH2  ARG  20          2HH1      ARG  20   4.977   5.493  -3.706
  213   2HH2  ARG  20          1HH1      ARG  20   4.450   5.795  -2.079
  214    QB   ARG  20           QB       ARG  20   3.578  -0.144  -2.922
  215    QG   ARG  20           QG       ARG  20   4.834   0.925  -4.516
  216    QD   ARG  20           QD       ARG  20   6.441   1.358  -2.703
  217    QH1  ARG  20           QH2      ARG  20   4.858   3.352  -0.666
  218    QH2  ARG  20           QH1      ARG  20   4.714   5.644  -2.893
  219    H    TYR  21           HN       TYR  21   4.226  -0.447  -0.202
  220    HA   TYR  21           HA       TYR  21   2.946  -3.062   0.413
  221   1HB   TYR  21          2HB       TYR  21   4.128  -1.328   2.563
  222   2HB   TYR  21          3HB       TYR  21   3.482  -2.919   2.713
  223    HD1  TYR  21           HD1      TYR  21   6.302  -1.485   0.553
  224    HD2  TYR  21           HD2      TYR  21   5.106  -4.313   3.584
  225    HE1  TYR  21           HE1      TYR  21   8.402  -2.684   0.245
  226    HE2  TYR  21           HE2      TYR  21   7.387  -5.278   3.520
  227    HH   TYR  21           HH       TYR  21   9.854  -4.240   1.171
  228    QB   TYR  21           QB       TYR  21   3.805  -2.123   2.638
  229    QR   TYR  21           QR       TYR  21   6.799  -3.440   1.976
  230    H    PHE  22           HN       PHE  22   1.360  -2.858   2.187
  231    HA   PHE  22           HA       PHE  22  -0.076  -0.345   2.396
  232   1HB   PHE  22          2HB       PHE  22  -2.172  -1.059   1.557
  233   2HB   PHE  22          3HB       PHE  22  -1.085  -1.165   0.240
  234    HD1  PHE  22          2HD       PHE  22   0.048  -3.839   0.277
  235    HD2  PHE  22          1HD       PHE  22  -3.882  -2.556   1.523
  236    HE1  PHE  22          2HE       PHE  22  -0.865  -6.061  -0.298
  237    HE2  PHE  22          1HE       PHE  22  -4.792  -4.761   0.904
  238    HZ   PHE  22           HZ       PHE  22  -3.294  -6.514  -0.046
  239    QB   PHE  22           QB       PHE  22  -1.628  -1.112   0.898
  240    QR   PHE  22           QR       PHE  22  -2.373  -4.304   0.602
  241    H    TYR  23           HN       TYR  23  -1.602  -0.495   4.152
  242    HA   TYR  23           HA       TYR  23  -1.291  -2.793   5.964
  243   1HB   TYR  23          2HB       TYR  23  -1.721  -0.490   6.797
  244   2HB   TYR  23          3HB       TYR  23  -3.288  -0.526   6.002
  245    HD1  TYR  23           HD1      TYR  23  -1.184  -1.986   8.689
  246    HD2  TYR  23           HD2      TYR  23  -5.142  -1.864   6.977
  247    HE1  TYR  23           HE1      TYR  23  -2.118  -2.895  10.783
  248    HE2  TYR  23           HE2      TYR  23  -6.078  -2.711   9.115
  249    HH   TYR  23           HH       TYR  23  -4.056  -2.810  12.036
  250    QB   TYR  23           QB       TYR  23  -2.505  -0.508   6.400
  251    QR   TYR  23           QR       TYR  23  -3.630  -2.364   8.891
  252    H    ASN  24           HN       ASN  24  -2.200  -4.684   5.327
  253    HA   ASN  24           HA       ASN  24  -4.656  -4.685   3.625
  254   1HB   ASN  24          2HB       ASN  24  -2.984  -6.184   2.888
  255   2HB   ASN  24          3HB       ASN  24  -2.774  -6.911   4.494
  256   1HD2  ASN  24          2HD2      ASN  24  -4.794  -9.415   2.920
  257   2HD2  ASN  24          1HD2      ASN  24  -3.145  -8.879   3.165
  258    QB   ASN  24           QB       ASN  24  -2.879  -6.547   3.691
  259    QD2  ASN  24           QD2      ASN  24  -3.970  -9.147   3.042
  260    H    ALA  25           HN       ALA  25  -6.128  -3.948   5.140
  261    HA   ALA  25           HA       ALA  25  -6.545  -4.889   7.744
  262   1HB   ALA  25          2HB       ALA  25  -7.768  -3.026   6.752
  263   2HB   ALA  25          3HB       ALA  25  -8.605  -4.135   5.637
  264   3HB   ALA  25          1HB       ALA  25  -8.886  -4.252   7.392
  265    QB   ALA  25           QB       ALA  25  -8.420  -3.804   6.594
  266    H    LYS  26           HN       LYS  26  -6.783  -6.822   4.783
  267    HA   LYS  26           HA       LYS  26  -8.805  -8.591   5.993
  268   1HB   LYS  26          2HB       LYS  26  -8.479  -8.188   3.470
  269   2HB   LYS  26          3HB       LYS  26  -7.096  -9.305   3.619
  270   1HG   LYS  26          2HG       LYS  26  -8.577 -11.078   4.455
  271   2HG   LYS  26          3HG       LYS  26  -9.912  -9.942   4.595
  272   1HD   LYS  26          2HD       LYS  26 -10.341 -11.313   2.743
  273   2HD   LYS  26          3HD       LYS  26 -10.042  -9.690   2.140
  274   1HE   LYS  26          2HE       LYS  26  -7.899 -11.887   2.212
  275   2HE   LYS  26          3HE       LYS  26  -9.034 -11.715   0.868
  276   1HZ   LYS  26          3HZ       LYS  26  -7.180  -9.595   1.713
  277   2HZ   LYS  26          1HZ       LYS  26  -6.972 -10.600   0.426
  278   3HZ   LYS  26          2HZ       LYS  26  -8.223  -9.535   0.448
  279    QB   LYS  26           QB       LYS  26  -7.788  -8.747   3.545
  280    QG   LYS  26           QG       LYS  26  -9.245 -10.510   4.525
  281    QD   LYS  26           QD       LYS  26 -10.192 -10.502   2.442
  282    QE   LYS  26           QE       LYS  26  -8.466 -11.801   1.540
  283    QZ   LYS  26           QZ       LYS  26  -7.458  -9.910   0.862
  284    H    ALA  27           HN       ALA  27  -5.338  -8.198   6.023
  285    HA   ALA  27           HA       ALA  27  -4.952 -10.797   7.448
  286   1HB   ALA  27          1HB       ALA  27  -2.964  -8.772   6.351
  287   2HB   ALA  27          2HB       ALA  27  -2.563 -10.280   7.200
  288   3HB   ALA  27          3HB       ALA  27  -3.382 -10.342   5.626
  289    QB   ALA  27           QB       ALA  27  -2.970  -9.798   6.392
  290    H    GLY  28           HN       GLY  28  -5.223  -7.325   7.829
  291   1HA   GLY  28          1HA       GLY  28  -5.200  -5.964   9.677
  292   2HA   GLY  28          2HA       GLY  28  -5.052  -7.381  10.735
  293    QA   GLY  28           QA       GLY  28  -5.126  -6.672  10.206
  294    H    LEU  29           HN       LEU  29  -2.917  -6.643   7.944
  295    HA   LEU  29           HA       LEU  29  -0.683  -5.917   9.706
  296   1HB   LEU  29          2HB       LEU  29  -1.015  -8.486   9.621
  297   2HB   LEU  29          3HB       LEU  29  -0.646  -8.370   7.901
  298    HG   LEU  29           HG       LEU  29   1.637  -7.393   8.572
  299   1HD1  LEU  29          2HD1      LEU  29   0.734  -8.348  11.335
  300   2HD1  LEU  29          3HD1      LEU  29   2.379  -7.848  10.891
  301   3HD1  LEU  29          1HD1      LEU  29   1.069  -6.660  10.894
  302   1HD2  LEU  29          2HD2      LEU  29   0.805 -10.171   9.457
  303   2HD2  LEU  29          3HD2      LEU  29   1.394  -9.670   7.855
  304   3HD2  LEU  29          1HD2      LEU  29   2.489  -9.631   9.251
  305    QB   LEU  29           QB       LEU  29  -0.830  -8.428   8.761
  306    QD1  LEU  29           QD1      LEU  29   1.394  -7.619  11.040
  307    QD2  LEU  29           QD2      LEU  29   1.563  -9.824   8.855
  308    QQD  LEU  29           QQD      LEU  29   1.478  -8.721   9.947
  309    H    CYS  30           HN       CYS  30   1.240  -5.356   8.436
  310    HA   CYS  30           HA       CYS  30   0.637  -3.921   5.949
  311   1HB   CYS  30          2HB       CYS  30   3.104  -4.357   7.666
  312   2HB   CYS  30          3HB       CYS  30   3.036  -3.288   6.255
  313    QB   CYS  30           QB       CYS  30   3.070  -3.822   6.960
  314    H    GLN  31           HN       GLN  31   0.931  -4.764   3.964
  315    HA   GLN  31           HA       GLN  31   2.686  -7.137   3.603
  316   1HB   GLN  31          2HB       GLN  31  -0.284  -6.955   2.948
  317   2HB   GLN  31          3HB       GLN  31   0.808  -8.222   2.330
  318   1HG   GLN  31          2HG       GLN  31   1.378  -8.768   4.751
  319   2HG   GLN  31          3HG       GLN  31   0.054  -7.693   5.239
  320   1HE2  GLN  31          2HE2      GLN  31  -1.120 -11.283   4.983
  321   2HE2  GLN  31          1HE2      GLN  31   0.252 -10.546   5.786
  322    QB   GLN  31           QB       GLN  31   0.262  -7.588   2.639
  323    QG   GLN  31           QG       GLN  31   0.716  -8.230   4.995
  324    QE2  GLN  31           QE2      GLN  31  -0.434 -10.915   5.385
  325    H    THR  32           HN       THR  32   2.974  -7.599   1.278
  326    HA   THR  32           HA       THR  32   3.689  -5.076   0.009
  327    HB   THR  32           HB       THR  32   5.060  -6.432  -1.467
  328    HG1  THR  32          1HG       THR  32   3.790  -8.629  -0.193
  329   1HG2  THR  32          2HG2      THR  32   5.985  -5.842   0.705
  330   2HG2  THR  32          3HG2      THR  32   5.328  -7.322   1.440
  331   3HG2  THR  32          1HG2      THR  32   6.570  -7.429   0.180
  332    QG2  THR  32           QG2      THR  32   5.961  -6.865   0.775
  333    H    PHE  33           HN       PHE  33   3.397  -4.727  -2.367
  334    HA   PHE  33           HA       PHE  33   1.817  -6.552  -3.897
  335   1HB   PHE  33          2HB       PHE  33   0.010  -5.179  -4.537
  336   2HB   PHE  33          3HB       PHE  33  -0.010  -5.187  -2.788
  337    HD1  PHE  33          2HD       PHE  33   1.261  -3.124  -1.630
  338    HD2  PHE  33          1HD       PHE  33  -0.294  -3.145  -5.653
  339    HE1  PHE  33          2HE       PHE  33   0.773  -0.688  -1.479
  340    HE2  PHE  33          1HE       PHE  33  -0.745  -0.735  -5.500
  341    HZ   PHE  33           HZ       PHE  33  -0.289   0.484  -3.372
  342    QB   PHE  33           QB       PHE  33   0.000  -5.183  -3.662
  343    QR   PHE  33           QR       PHE  33   0.249  -1.923  -3.565
  344    H    VAL  34           HN       VAL  34   1.770  -5.721  -6.245
  345    HA   VAL  34           HA       VAL  34   4.155  -4.050  -6.870
  346    HB   VAL  34           HB       VAL  34   2.200  -5.541  -8.678
  347   1HG1  VAL  34          2HG1      VAL  34   4.718  -3.932  -9.326
  348   2HG1  VAL  34          3HG1      VAL  34   3.791  -4.931 -10.476
  349   3HG1  VAL  34          1HG1      VAL  34   3.073  -3.482  -9.794
  350   1HG2  VAL  34          1HG2      VAL  34   5.113  -6.096  -7.973
  351   2HG2  VAL  34          2HG2      VAL  34   3.717  -7.079  -7.482
  352   3HG2  VAL  34          3HG2      VAL  34   4.164  -6.964  -9.192
  353    QG1  VAL  34           QG1      VAL  34   3.861  -4.115  -9.865
  354    QG2  VAL  34           QG2      VAL  34   4.331  -6.713  -8.216
  355    QQG  VAL  34           QQG      VAL  34   4.096  -5.414  -9.041
  356    H    TYR  35           HN       TYR  35   3.783  -1.899  -6.931
  357    HA   TYR  35           HA       TYR  35   1.091  -0.802  -7.589
  358   1HB   TYR  35          2HB       TYR  35   1.968   0.167  -5.578
  359   2HB   TYR  35          3HB       TYR  35   3.594   0.203  -6.244
  360    HD1  TYR  35           HD1      TYR  35   0.213   1.687  -7.114
  361    HD2  TYR  35           HD2      TYR  35   4.464   2.253  -6.727
  362    HE1  TYR  35           HE1      TYR  35  -0.022   4.068  -7.820
  363    HE2  TYR  35           HE2      TYR  35   4.119   4.713  -7.035
  364    HH   TYR  35           HH       TYR  35   2.826   6.163  -8.226
  365    QB   TYR  35           QB       TYR  35   2.781   0.185  -5.911
  366    QR   TYR  35           QR       TYR  35   2.194   3.180  -7.174
  367    H    GLY  36           HN       GLY  36   1.098   0.711  -9.405
  368   1HA   GLY  36          1HA       GLY  36   2.652  -0.273 -11.588
  369   2HA   GLY  36          2HA       GLY  36   1.515   1.076 -11.618
  370    QA   GLY  36           QA       GLY  36   2.083   0.402 -11.603
  371    H    GLY  37           HN       GLY  37   2.416   3.025 -10.150
  372   1HA   GLY  37          1HA       GLY  37   4.967   3.655  -9.621
  373   2HA   GLY  37          2HA       GLY  37   4.991   3.828 -11.387
  374    QA   GLY  37           QA       GLY  37   4.979   3.741 -10.504
  375    H    CYS  38           HN       CYS  38   2.463   4.814 -11.865
  376    HA   CYS  38           HA       CYS  38   2.583   7.522 -10.641
  377   1HB   CYS  38          2HB       CYS  38   1.068   8.148 -12.545
  378   2HB   CYS  38          3HB       CYS  38   2.766   7.894 -12.881
  379    QB   CYS  38           QB       CYS  38   1.917   8.021 -12.713
  380    H    ARG  39           HN       ARG  39   0.709   8.566  -9.994
  381    HA   ARG  39           HA       ARG  39  -1.243   8.851  -8.924
  382   1HB   ARG  39          2HB       ARG  39  -2.360   6.514 -10.484
  383   2HB   ARG  39          3HB       ARG  39  -3.222   7.905  -9.834
  384   1HG   ARG  39          2HG       ARG  39  -1.276   7.827 -12.179
  385   2HG   ARG  39          3HG       ARG  39  -3.006   8.102 -12.249
  386   1HD   ARG  39          2HD       ARG  39  -0.977  10.003 -10.984
  387   2HD   ARG  39          3HD       ARG  39  -1.696  10.152 -12.597
  388    HE   ARG  39           HE       ARG  39  -3.823   9.953 -10.760
  389   1HH1  ARG  39          2HH2      ARG  39  -1.225  12.190 -11.584
  390   2HH1  ARG  39          1HH2      ARG  39  -2.075  13.626 -11.107
  391   1HH2  ARG  39          2HH1      ARG  39  -5.013  11.854 -10.140
  392   2HH2  ARG  39          1HH1      ARG  39  -4.285  13.419 -10.270
  393    QB   ARG  39           QB       ARG  39  -2.791   7.210 -10.159
  394    QG   ARG  39           QG       ARG  39  -2.141   7.964 -12.214
  395    QD   ARG  39           QD       ARG  39  -1.337  10.077 -11.790
  396    QH1  ARG  39           QH2      ARG  39  -1.650  12.908 -11.346
  397    QH2  ARG  39           QH1      ARG  39  -4.649  12.637 -10.205
  398    H    ALA  40           HN       ALA  40   0.443   7.686  -7.283
  399    HA   ALA  40           HA       ALA  40  -0.299   5.319  -5.980
  400   1HB   ALA  40          1HB       ALA  40   1.786   6.532  -5.559
  401   2HB   ALA  40          2HB       ALA  40   0.865   7.816  -4.747
  402   3HB   ALA  40          3HB       ALA  40   0.896   6.168  -4.074
  403    QB   ALA  40           QB       ALA  40   1.182   6.838  -4.793
  404    H    LYS  41           HN       LYS  41  -1.531   4.974  -3.984
  405    HA   LYS  41           HA       LYS  41  -3.532   7.062  -3.265
  406   1HB   LYS  41          2HB       LYS  41  -3.415   4.053  -2.685
  407   2HB   LYS  41          3HB       LYS  41  -4.654   5.151  -2.092
  408   1HG   LYS  41          2HG       LYS  41  -4.111   4.639  -5.011
  409   2HG   LYS  41          3HG       LYS  41  -5.389   3.928  -3.994
  410   1HD   LYS  41          2HD       LYS  41  -5.944   6.483  -3.439
  411   2HD   LYS  41          3HD       LYS  41  -5.046   6.788  -4.955
  412   1HE   LYS  41          2HE       LYS  41  -6.487   5.018  -6.020
  413   2HE   LYS  41          3HE       LYS  41  -7.418   4.937  -4.499
  414   1HZ   LYS  41          3HZ       LYS  41  -7.153   7.324  -6.220
  415   2HZ   LYS  41          1HZ       LYS  41  -8.479   6.352  -6.143
  416   3HZ   LYS  41          2HZ       LYS  41  -8.031   7.232  -4.826
  417    QB   LYS  41           QB       LYS  41  -4.035   4.602  -2.389
  418    QG   LYS  41           QG       LYS  41  -4.750   4.283  -4.503
  419    QD   LYS  41           QD       LYS  41  -5.495   6.636  -4.197
  420    QE   LYS  41           QE       LYS  41  -6.952   4.977  -5.259
  421    QZ   LYS  41           QZ       LYS  41  -7.888   6.969  -5.730
  422    H    ARG  42           HN       ARG  42  -4.001   6.243  -0.690
  423    HA   ARG  42           HA       ARG  42  -1.712   7.615   0.600
  424   1HB   ARG  42          2HB       ARG  42  -4.435   6.706   1.598
  425   2HB   ARG  42          3HB       ARG  42  -3.215   7.488   2.606
  426   1HG   ARG  42          2HG       ARG  42  -3.246   9.483   1.274
  427   2HG   ARG  42          3HG       ARG  42  -4.284   8.759   0.041
  428   1HD   ARG  42          2HD       ARG  42  -5.134   9.100   2.943
  429   2HD   ARG  42          3HD       ARG  42  -5.466  10.279   1.648
  430    HE   ARG  42           HE       ARG  42  -6.281   7.571   0.935
  431   1HH1  ARG  42          2HH2      ARG  42  -7.271  10.335   2.866
  432   2HH1  ARG  42          1HH2      ARG  42  -8.977  10.065   2.708
  433   1HH2  ARG  42          2HH1      ARG  42  -8.468   7.075   0.754
  434   2HH2  ARG  42          1HH1      ARG  42  -9.693   8.150   1.391
  435    QB   ARG  42           QB       ARG  42  -3.825   7.097   2.102
  436    QG   ARG  42           QG       ARG  42  -3.765   9.121   0.658
  437    QD   ARG  42           QD       ARG  42  -5.300   9.689   2.296
  438    QH1  ARG  42           QH2      ARG  42  -8.124  10.200   2.787
  439    QH2  ARG  42           QH1      ARG  42  -9.081   7.613   1.073
  440    H    ASN  43           HN       ASN  43  -3.439   4.509   0.639
  441    HA   ASN  43           HA       ASN  43  -1.792   3.342   2.707
  442   1HB   ASN  43          2HB       ASN  43  -4.186   2.946   2.127
  443   2HB   ASN  43          3HB       ASN  43  -3.660   2.040   0.684
  444   1HD2  ASN  43          2HD2      ASN  43  -4.418  -0.519   3.160
  445   2HD2  ASN  43          1HD2      ASN  43  -5.081   0.430   1.811
  446    QB   ASN  43           QB       ASN  43  -3.923   2.493   1.405
  447    QD2  ASN  43           QD2      ASN  43  -4.749  -0.045   2.485
  448    H    ASN  44           HN       ASN  44   0.104   4.207   1.152
  449    HA   ASN  44           HA       ASN  44   1.173   1.951  -0.515
  450   1HB   ASN  44          2HB       ASN  44   0.937   4.897  -1.235
  451   2HB   ASN  44          3HB       ASN  44   2.060   3.785  -2.022
  452   1HD2  ASN  44          2HD2      ASN  44  -0.362   2.737  -4.336
  453   2HD2  ASN  44          1HD2      ASN  44   1.324   3.038  -3.986
  454    QB   ASN  44           QB       ASN  44   1.499   4.341  -1.629
  455    QD2  ASN  44           QD2      ASN  44   0.481   2.887  -4.161
  456    H    PHE  45           HN       PHE  45   2.531   1.411   1.230
  457    HA   PHE  45           HA       PHE  45   4.442   3.499   2.203
  458   1HB   PHE  45          2HB       PHE  45   3.831   0.783   3.362
  459   2HB   PHE  45          3HB       PHE  45   4.670   2.107   4.153
  460    HD1  PHE  45          2HD       PHE  45   3.185   4.474   3.952
  461    HD2  PHE  45          1HD       PHE  45   1.543   0.481   4.012
  462    HE1  PHE  45          2HE       PHE  45   0.997   5.357   4.664
  463    HE2  PHE  45          1HE       PHE  45  -0.497   1.352   5.118
  464    HZ   PHE  45           HZ       PHE  45  -0.745   3.779   5.530
  465    QB   PHE  45           QB       PHE  45   4.250   1.445   3.758
  466    QR   PHE  45           QR       PHE  45   1.307   2.916   4.436
  467    H    LYS  46           HN       LYS  46   6.625   2.515   2.833
  468    HA   LYS  46           HA       LYS  46   7.797   1.194   0.419
  469   1HB   LYS  46          2HB       LYS  46   9.052   2.766   2.721
  470   2HB   LYS  46          3HB       LYS  46   9.909   2.061   1.355
  471   1HG   LYS  46          2HG       LYS  46   7.782   3.653   0.286
  472   2HG   LYS  46          3HG       LYS  46   8.572   4.607   1.553
  473   1HD   LYS  46          2HD       LYS  46  10.797   4.105   0.531
  474   2HD   LYS  46          3HD       LYS  46   9.990   3.187  -0.760
  475   1HE   LYS  46          2HE       LYS  46   8.811   5.255  -1.493
  476   2HE   LYS  46          3HE       LYS  46   9.595   6.170  -0.193
  477   1HZ   LYS  46          1HZ       LYS  46  11.718   5.679  -1.211
  478   2HZ   LYS  46          2HZ       LYS  46  10.991   4.843  -2.427
  479   3HZ   LYS  46          3HZ       LYS  46  10.735   6.459  -2.269
  480    QB   LYS  46           QB       LYS  46   9.480   2.413   2.038
  481    QG   LYS  46           QG       LYS  46   8.177   4.130   0.920
  482    QD   LYS  46           QD       LYS  46  10.393   3.646  -0.114
  483    QE   LYS  46           QE       LYS  46   9.203   5.712  -0.843
  484    QZ   LYS  46           QZ       LYS  46  11.148   5.661  -1.969
  485    H    SER  47           HN       SER  47   7.348   0.895   3.909
  486    HA   SER  47           HA       SER  47   8.584  -1.803   3.878
  487   1HB   SER  47          2HB       SER  47   9.933  -1.289   5.822
  488   2HB   SER  47          3HB       SER  47  10.298  -0.039   4.629
  489    HG   SER  47           HG       SER  47   9.276   1.437   5.826
  490    QB   SER  47           QB       SER  47  10.115  -0.664   5.226
  491    H    ALA  48           HN       ALA  48   7.856  -3.092   5.721
  492    HA   ALA  48           HA       ALA  48   5.166  -2.538   6.536
  493   1HB   ALA  48          1HB       ALA  48   7.143  -4.549   7.687
  494   2HB   ALA  48          2HB       ALA  48   5.422  -4.440   8.095
  495   3HB   ALA  48          3HB       ALA  48   5.900  -4.854   6.442
  496    QB   ALA  48           QB       ALA  48   6.155  -4.615   7.408
  497    H    GLU  49           HN       GLU  49   8.347  -1.993   8.034
  498    HA   GLU  49           HA       GLU  49   7.659  -1.008  10.545
  499   1HB   GLU  49          2HB       GLU  49   9.707  -0.107   8.462
  500   2HB   GLU  49          3HB       GLU  49   9.627   0.614  10.060
  501   1HG   GLU  49          2HG       GLU  49   9.947  -2.392   9.613
  502   2HG   GLU  49          3HG       GLU  49  11.297  -1.262   9.765
  503    QB   GLU  49           QB       GLU  49   9.667   0.253   9.261
  504    QG   GLU  49           QG       GLU  49  10.622  -1.827   9.689
  505    H    ASP  50           HN       ASP  50   7.968   0.931   7.547
  506    HA   ASP  50           HA       ASP  50   7.024   3.319   8.780
  507   1HB   ASP  50          2HB       ASP  50   7.127   2.628   5.811
  508   2HB   ASP  50          3HB       ASP  50   6.822   4.240   6.502
  509    QB   ASP  50           QB       ASP  50   6.974   3.434   6.156
  510    H    CYS  51           HN       CYS  51   5.353   0.880   6.777
  511    HA   CYS  51           HA       CYS  51   2.755   1.979   6.713
  512   1HB   CYS  51          2HB       CYS  51   3.260  -0.016   5.475
  513   2HB   CYS  51          3HB       CYS  51   3.785  -0.853   6.904
  514    QB   CYS  51           QB       CYS  51   3.523  -0.435   6.189
  515    H    MET  52           HN       MET  52   4.076  -0.232   9.238
  516    HA   MET  52           HA       MET  52   1.713  -0.080  10.814
  517   1HB   MET  52          2HB       MET  52   4.035  -1.609  10.799
  518   2HB   MET  52          3HB       MET  52   4.193  -0.744  12.312
  519   1HG   MET  52          2HG       MET  52   2.094  -1.567  13.111
  520   2HG   MET  52          3HG       MET  52   1.635  -2.208  11.524
  521   1HE   MET  52          3HE       MET  52   2.414  -4.424  10.491
  522   2HE   MET  52          1HE       MET  52   4.093  -3.828  10.456
  523   3HE   MET  52          2HE       MET  52   3.730  -5.419  11.155
  524    QB   MET  52           QB       MET  52   4.114  -1.176  11.556
  525    QG   MET  52           QG       MET  52   1.865  -1.888  12.317
  526    QE   MET  52           QE       MET  52   3.412  -4.557  10.701
  527    H    ARG  53           HN       ARG  53   4.772   1.680  10.939
  528    HA   ARG  53           HA       ARG  53   4.206   3.263  13.256
  529   1HB   ARG  53          2HB       ARG  53   5.921   3.793  10.812
  530   2HB   ARG  53          3HB       ARG  53   5.873   4.864  12.220
  531   1HG   ARG  53          2HG       ARG  53   6.748   3.203  13.685
  532   2HG   ARG  53          3HG       ARG  53   6.435   1.890  12.563
  533   1HD   ARG  53          2HD       ARG  53   8.836   2.337  12.565
  534   2HD   ARG  53          3HD       ARG  53   8.119   2.656  11.006
  535    HE   ARG  53           HE       ARG  53   8.720   4.807  11.070
  536   1HH1  ARG  53          2HH2      ARG  53   8.812   3.545  14.340
  537   2HH1  ARG  53          1HH2      ARG  53   9.506   4.957  15.080
  538   1HH2  ARG  53          2HH1      ARG  53   9.639   6.732  11.977
  539   2HH2  ARG  53          1HH1      ARG  53   9.990   6.832  13.676
  540    QB   ARG  53           QB       ARG  53   5.897   4.329  11.516
  541    QG   ARG  53           QG       ARG  53   6.592   2.547  13.124
  542    QD   ARG  53           QD       ARG  53   8.477   2.496  11.785
  543    QH1  ARG  53           QH2      ARG  53   9.159   4.251  14.710
  544    QH2  ARG  53           QH1      ARG  53   9.815   6.782  12.827
  545    H    THR  54           HN       THR  54   3.201   3.637   9.852
  546    HA   THR  54           HA       THR  54   1.924   6.205  10.271
  547    HB   THR  54           HB       THR  54   1.648   4.148   8.031
  548    HG1  THR  54          1HG       THR  54   3.721   4.955   8.233
  549   1HG2  THR  54          2HG2      THR  54   0.725   7.031   8.259
  550   2HG2  THR  54          3HG2      THR  54   0.991   6.209   6.717
  551   3HG2  THR  54          1HG2      THR  54  -0.248   5.599   7.827
  552    QG2  THR  54           QG2      THR  54   0.489   6.280   7.601
  553    H    CYS  55           HN       CYS  55   0.783   2.833  10.211
  554    HA   CYS  55           HA       CYS  55  -1.802   3.410  11.494
  555   1HB   CYS  55          2HB       CYS  55  -2.279   4.140   9.169
  556   2HB   CYS  55          3HB       CYS  55  -1.726   2.563   8.593
  557    QB   CYS  55           QB       CYS  55  -2.002   3.351   8.881
  558    H    GLY  56           HN       GLY  56   0.206   1.715  12.465
  559   1HA   GLY  56          1HA       GLY  56  -0.382  -1.053  11.895
  560   2HA   GLY  56          2HA       GLY  56   0.135  -0.362  13.452
  561    QA   GLY  56           QA       GLY  56  -0.124  -0.708  12.673
  562    H    GLY  57           HN       GLY  57  -1.756   1.247  14.330
  563   1HA   GLY  57          1HA       GLY  57  -4.466   0.593  13.893
  564   2HA   GLY  57          2HA       GLY  57  -3.839  -0.362  15.264
  565    QA   GLY  57           QA       GLY  57  -4.152   0.116  14.579
  566    H    ALA  58           HN       ALA  58  -5.817   1.596  15.652
  567    HA   ALA  58           HA       ALA  58  -5.409   2.957  17.841
  568   1HB   ALA  58          1HB       ALA  58  -4.446   4.715  15.542
  569   2HB   ALA  58          2HB       ALA  58  -5.049   5.358  17.087
  570   3HB   ALA  58          3HB       ALA  58  -3.608   4.349  17.073
  571    QB   ALA  58           QB       ALA  58  -4.367   4.807  16.567
   
  No H/Q in entry =         571
  Start of MODEL   16
    1    H    ARG   1           HN       ARG   1  -8.722   3.676  14.356
    2    HA   ARG   1           HA       ARG   1  -6.877   4.797  12.953
    3   1HB   ARG   1          2HB       ARG   1  -6.390   2.767  11.779
    4   2HB   ARG   1          3HB       ARG   1  -7.114   2.335  13.325
    5   1HG   ARG   1          2HG       ARG   1  -9.369   2.239  11.815
    6   2HG   ARG   1          3HG       ARG   1  -8.190   2.048  10.518
    7   1HD   ARG   1          2HD       ARG   1  -8.843   0.262  12.840
    8   2HD   ARG   1          3HD       ARG   1  -8.726  -0.156  11.141
    9    HE   ARG   1           HE       ARG   1  -6.230   0.203  11.344
   10   1HH1  ARG   1          2HH2      ARG   1  -8.102  -0.995  14.189
   11   2HH1  ARG   1          1HH2      ARG   1  -6.623  -1.514  14.977
   12   1HH2  ARG   1          2HH1      ARG   1  -4.383  -0.570  12.563
   13   2HH2  ARG   1          1HH1      ARG   1  -4.676  -1.064  14.241
   14    QB   ARG   1           QB       ARG   1  -6.752   2.551  12.552
   15    QG   ARG   1           QG       ARG   1  -8.779   2.143  11.166
   16    QD   ARG   1           QD       ARG   1  -8.785   0.053  11.991
   17    QH1  ARG   1           QH2      ARG   1  -7.363  -1.254  14.583
   18    QH2  ARG   1           QH1      ARG   1  -4.529  -0.817  13.402
   19    HA   PRO   2           HA       PRO   2  -8.855   6.874   9.567
   20   1HB   PRO   2          2HB       PRO   2  -6.964   6.662   7.511
   21   2HB   PRO   2          3HB       PRO   2  -7.038   7.950   8.730
   22   1HG   PRO   2          2HG       PRO   2  -5.174   5.640   8.529
   23   2HG   PRO   2          3HG       PRO   2  -4.949   7.160   9.411
   24   1HD   PRO   2          2HD       PRO   2  -5.591   4.684  10.578
   25   2HD   PRO   2          3HD       PRO   2  -5.789   6.278  11.356
   26    QB   PRO   2           QB       PRO   2  -7.001   7.306   8.120
   27    QG   PRO   2           QG       PRO   2  -5.061   6.400   8.970
   28    QD   PRO   2           QD       PRO   2  -5.690   5.481  10.967
   29    H    ASP   3           HN       ASP   3 -10.290   6.262   7.957
   30    HA   ASP   3           HA       ASP   3 -10.798   3.578   7.308
   31   1HB   ASP   3          2HB       ASP   3 -12.482   5.312   6.991
   32   2HB   ASP   3          3HB       ASP   3 -11.436   6.198   5.859
   33    QB   ASP   3           QB       ASP   3 -11.959   5.755   6.425
   34    H    PHE   4           HN       PHE   4  -8.619   5.904   5.725
   35    HA   PHE   4           HA       PHE   4  -8.292   4.312   3.389
   36   1HB   PHE   4          2HB       PHE   4  -6.449   5.556   2.810
   37   2HB   PHE   4          3HB       PHE   4  -7.602   6.684   3.523
   38    HD1  PHE   4          1HD       PHE   4  -4.412   4.758   4.018
   39    HD2  PHE   4          2HD       PHE   4  -6.770   8.148   5.269
   40    HE1  PHE   4          1HE       PHE   4  -2.703   5.318   5.708
   41    HE2  PHE   4          2HE       PHE   4  -4.972   8.796   6.850
   42    HZ   PHE   4           HZ       PHE   4  -3.052   7.262   7.230
   43    QB   PHE   4           QB       PHE   4  -7.026   6.120   3.167
   44    QR   PHE   4           QR       PHE   4  -4.714   6.755   5.461
   45    H    CYS   5           HN       CYS   5  -7.093   3.827   6.636
   46    HA   CYS   5           HA       CYS   5  -4.804   2.277   5.984
   47   1HB   CYS   5          2HB       CYS   5  -5.433   3.168   8.264
   48   2HB   CYS   5          3HB       CYS   5  -6.677   1.902   8.363
   49    QB   CYS   5           QB       CYS   5  -6.055   2.535   8.314
   50    H    LEU   6           HN       LEU   6  -8.186   1.680   5.501
   51    HA   LEU   6           HA       LEU   6  -7.760  -1.232   5.134
   52   1HB   LEU   6          2HB       LEU   6 -10.364   0.313   5.171
   53   2HB   LEU   6          3HB       LEU   6 -10.113  -1.425   5.285
   54    HG   LEU   6           HG       LEU   6  -8.623  -0.452   7.460
   55   1HD1  LEU   6          2HD1      LEU   6 -11.092   1.259   7.179
   56   2HD1  LEU   6          3HD1      LEU   6 -10.253   0.970   8.717
   57   3HD1  LEU   6          1HD1      LEU   6  -9.389   1.759   7.404
   58   1HD2  LEU   6          2HD2      LEU   6 -10.213  -2.417   7.425
   59   2HD2  LEU   6          3HD2      LEU   6 -10.287  -1.418   8.875
   60   3HD2  LEU   6          1HD2      LEU   6 -11.541  -1.268   7.617
   61    QB   LEU   6           QB       LEU   6 -10.238  -0.556   5.228
   62    QD1  LEU   6           QD1      LEU   6 -10.244   1.329   7.767
   63    QD2  LEU   6           QD2      LEU   6 -10.680  -1.701   7.972
   64    QQD  LEU   6           QQD      LEU   6 -10.462  -0.186   7.869
   65    H    GLU   7           HN       GLU   7  -7.389   1.522   3.141
   66    HA   GLU   7           HA       GLU   7  -9.166   0.747   1.077
   67   1HB   GLU   7          2HB       GLU   7  -8.286   2.474  -0.187
   68   2HB   GLU   7          3HB       GLU   7  -8.390   3.059   1.467
   69   1HG   GLU   7          2HG       GLU   7  -5.863   2.463   1.501
   70   2HG   GLU   7          3HG       GLU   7  -5.964   2.345  -0.246
   71    QB   GLU   7           QB       GLU   7  -8.338   2.767   0.640
   72    QG   GLU   7           QG       GLU   7  -5.914   2.404   0.628
   73    HA   PRO   8           HA       PRO   8  -6.828  -2.494  -0.626
   74   1HB   PRO   8          2HB       PRO   8  -7.841  -2.726  -3.205
   75   2HB   PRO   8          3HB       PRO   8  -8.752  -3.129  -1.719
   76   1HG   PRO   8          2HG       PRO   8  -8.779  -0.531  -3.280
   77   2HG   PRO   8          3HG       PRO   8 -10.187  -1.502  -2.751
   78   1HD   PRO   8          2HD       PRO   8  -9.338   0.632  -1.318
   79   2HD   PRO   8          3HD       PRO   8  -9.870  -0.859  -0.481
   80    QB   PRO   8           QB       PRO   8  -8.296  -2.927  -2.462
   81    QG   PRO   8           QG       PRO   8  -9.483  -1.016  -3.016
   82    QD   PRO   8           QD       PRO   8  -9.604  -0.114  -0.900
   83    HA   PRO   9           HA       PRO   9  -3.255  -1.127  -2.729
   84   1HB   PRO   9          2HB       PRO   9  -2.351  -3.332  -4.076
   85   2HB   PRO   9          3HB       PRO   9  -2.375  -3.185  -2.297
   86   1HG   PRO   9          2HG       PRO   9  -4.388  -4.557  -4.083
   87   2HG   PRO   9          3HG       PRO   9  -3.636  -5.181  -2.584
   88   1HD   PRO   9          2HD       PRO   9  -6.106  -4.050  -2.592
   89   2HD   PRO   9          3HD       PRO   9  -4.988  -3.802  -1.227
   90    QB   PRO   9           QB       PRO   9  -2.363  -3.258  -3.187
   91    QG   PRO   9           QG       PRO   9  -4.012  -4.869  -3.334
   92    QD   PRO   9           QD       PRO   9  -5.547  -3.926  -1.909
   93    H    TYR  10           HN       TYR  10  -4.372   0.447  -3.960
   94    HA   TYR  10           HA       TYR  10  -5.257  -0.077  -6.663
   95   1HB   TYR  10          2HB       TYR  10  -6.193   1.628  -5.151
   96   2HB   TYR  10          3HB       TYR  10  -4.659   2.496  -5.259
   97    HD1  TYR  10           HD2      TYR  10  -4.020   3.693  -7.360
   98    HD2  TYR  10           HD1      TYR  10  -7.831   1.714  -6.929
   99    HE1  TYR  10           HE2      TYR  10  -4.890   4.948  -9.298
  100    HE2  TYR  10           HE1      TYR  10  -8.735   3.066  -8.794
  101    HH   TYR  10           HH       TYR  10  -6.737   5.377 -10.642
  102    QB   TYR  10           QB       TYR  10  -5.426   2.062  -5.205
  103    QR   TYR  10           QR       TYR  10  -6.369   3.355  -8.095
  104    H    THR  11           HN       THR  11  -3.692  -0.770  -7.995
  105    HA   THR  11           HA       THR  11  -1.088   0.515  -8.262
  106    HB   THR  11           HB       THR  11  -2.484  -1.863  -9.428
  107    HG1  THR  11          1HG       THR  11  -0.207  -2.550  -8.568
  108   1HG2  THR  11          1HG2      THR  11   0.094  -0.775 -10.621
  109   2HG2  THR  11          2HG2      THR  11  -0.481  -2.439 -10.779
  110   3HG2  THR  11          3HG2      THR  11  -1.414  -1.122 -11.460
  111    QG2  THR  11           QG2      THR  11  -0.600  -1.445 -10.953
  112    H    GLY  12           HN       GLY  12  -4.195   0.780  -9.828
  113   1HA   GLY  12          1HA       GLY  12  -4.883   2.149 -11.611
  114   2HA   GLY  12          2HA       GLY  12  -3.396   3.089 -11.380
  115    QA   GLY  12           QA       GLY  12  -4.140   2.619 -11.495
  116    HA   PRO  13           HA       PRO  13  -2.790   0.481 -15.183
  117   1HB   PRO  13          2HB       PRO  13  -2.588   2.425 -17.093
  118   2HB   PRO  13          3HB       PRO  13  -4.138   1.827 -16.455
  119   1HG   PRO  13          2HG       PRO  13  -2.802   4.440 -15.859
  120   2HG   PRO  13          3HG       PRO  13  -4.529   4.035 -15.920
  121   1HD   PRO  13          2HD       PRO  13  -2.897   4.189 -13.569
  122   2HD   PRO  13          3HD       PRO  13  -4.558   3.560 -13.679
  123    QB   PRO  13           QB       PRO  13  -3.363   2.126 -16.774
  124    QG   PRO  13           QG       PRO  13  -3.665   4.237 -15.889
  125    QD   PRO  13           QD       PRO  13  -3.728   3.875 -13.624
  126    H    CYS  14           HN       CYS  14  -1.215   3.622 -14.966
  127    HA   CYS  14           HA       CYS  14   0.780   4.428 -15.624
  128   1HB   CYS  14          2HB       CYS  14   1.728   2.301 -13.720
  129   2HB   CYS  14          3HB       CYS  14   2.475   3.889 -14.002
  130    QB   CYS  14           QB       CYS  14   2.101   3.095 -13.861
  131    H    LYS  15           HN       LYS  15   3.392   3.250 -15.746
  132    HA   LYS  15           HA       LYS  15   3.217   0.925 -17.565
  133   1HB   LYS  15          2HB       LYS  15   4.624   3.557 -18.205
  134   2HB   LYS  15          3HB       LYS  15   4.966   2.048 -19.045
  135   1HG   LYS  15          2HG       LYS  15   2.269   3.438 -19.062
  136   2HG   LYS  15          3HG       LYS  15   3.526   3.485 -20.305
  137   1HD   LYS  15          2HD       LYS  15   3.357   0.825 -20.178
  138   2HD   LYS  15          3HD       LYS  15   1.765   1.141 -19.493
  139   1HE   LYS  15          2HE       LYS  15   2.848   2.000 -22.221
  140   2HE   LYS  15          3HE       LYS  15   1.619   0.769 -21.905
  141   1HZ   LYS  15          1HZ       LYS  15   0.193   2.521 -21.045
  142   2HZ   LYS  15          2HZ       LYS  15   1.334   3.656 -21.394
  143   3HZ   LYS  15          3HZ       LYS  15   0.622   2.809 -22.609
  144    QB   LYS  15           QB       LYS  15   4.795   2.803 -18.625
  145    QG   LYS  15           QG       LYS  15   2.897   3.461 -19.683
  146    QD   LYS  15           QD       LYS  15   2.561   0.983 -19.835
  147    QE   LYS  15           QE       LYS  15   2.233   1.385 -22.063
  148    QZ   LYS  15           QZ       LYS  15   0.716   2.995 -21.682
  149    H    ALA  16           HN       ALA  16   3.941   1.216 -14.712
  150    HA   ALA  16           HA       ALA  16   6.525  -0.112 -15.000
  151   1HB   ALA  16          2HB       ALA  16   7.147   2.280 -14.584
  152   2HB   ALA  16          3HB       ALA  16   6.158   2.271 -13.109
  153   3HB   ALA  16          1HB       ALA  16   7.601   1.246 -13.223
  154    QB   ALA  16           QB       ALA  16   6.969   1.932 -13.638
  155    H    ARG  17           HN       ARG  17   7.168  -1.245 -13.049
  156    HA   ARG  17           HA       ARG  17   4.881  -2.113 -11.342
  157   1HB   ARG  17          2HB       ARG  17   7.010  -3.926 -12.463
  158   2HB   ARG  17          3HB       ARG  17   5.594  -4.416 -11.636
  159   1HG   ARG  17          2HG       ARG  17   5.636  -3.200 -14.451
  160   2HG   ARG  17          3HG       ARG  17   5.644  -4.908 -14.052
  161   1HD   ARG  17          2HD       ARG  17   3.447  -4.556 -14.592
  162   2HD   ARG  17          3HD       ARG  17   3.419  -4.561 -12.843
  163    HE   ARG  17           HE       ARG  17   3.478  -2.048 -12.928
  164   1HH1  ARG  17          2HH2      ARG  17   2.346  -3.590 -15.907
  165   2HH1  ARG  17          1HH2      ARG  17   1.338  -2.236 -16.340
  166   1HH2  ARG  17          2HH1      ARG  17   2.435  -0.320 -13.601
  167   2HH2  ARG  17          1HH1      ARG  17   1.128  -0.357 -14.786
  168    QB   ARG  17           QB       ARG  17   6.302  -4.171 -12.050
  169    QG   ARG  17           QG       ARG  17   5.640  -4.054 -14.252
  170    QD   ARG  17           QD       ARG  17   3.433  -4.558 -13.718
  171    QH1  ARG  17           QH2      ARG  17   1.842  -2.913 -16.123
  172    QH2  ARG  17           QH1      ARG  17   1.781  -0.339 -14.194
  173    H    ILE  18           HN       ILE  18   5.535  -1.418  -9.354
  174    HA   ILE  18           HA       ILE  18   8.430  -1.502  -8.560
  175    HB   ILE  18           HB       ILE  18   6.297   0.640  -8.081
  176   1HG1  ILE  18          2HG1      ILE  18   8.641   0.595 -10.014
  177   2HG1  ILE  18          3HG1      ILE  18   6.911   0.747 -10.384
  178   1HG2  ILE  18          3HG2      ILE  18   7.911   0.440  -6.224
  179   2HG2  ILE  18          1HG2      ILE  18   9.250   0.665  -7.372
  180   3HG2  ILE  18          2HG2      ILE  18   8.071   1.963  -7.077
  181   1HD1  ILE  18          3HD1      ILE  18   6.909   2.915  -9.065
  182   2HD1  ILE  18          1HD1      ILE  18   8.689   2.831  -9.094
  183   3HD1  ILE  18          2HD1      ILE  18   7.785   2.923 -10.612
  184    QG1  ILE  18           QG1      ILE  18   7.776   0.671 -10.199
  185    QG2  ILE  18           QG2      ILE  18   8.411   1.023  -6.891
  186    QD1  ILE  18           QD1      ILE  18   7.794   2.889  -9.591
  187    H    ILE  19           HN       ILE  19   8.644  -2.656  -6.512
  188    HA   ILE  19           HA       ILE  19   6.253  -3.637  -5.303
  189    HB   ILE  19           HB       ILE  19   9.005  -3.415  -4.082
  190   1HG1  ILE  19          2HG1      ILE  19   9.273  -4.631  -6.141
  191   2HG1  ILE  19          3HG1      ILE  19   9.376  -5.739  -4.781
  192   1HG2  ILE  19          1HG2      ILE  19   6.572  -5.159  -3.411
  193   2HG2  ILE  19          2HG2      ILE  19   8.188  -5.422  -2.734
  194   3HG2  ILE  19          3HG2      ILE  19   7.314  -3.931  -2.380
  195   1HD1  ILE  19          1HD1      ILE  19   7.037  -6.498  -5.218
  196   2HD1  ILE  19          2HD1      ILE  19   6.962  -5.390  -6.610
  197   3HD1  ILE  19          3HD1      ILE  19   8.109  -6.737  -6.605
  198    QG1  ILE  19           QG1      ILE  19   9.325  -5.185  -5.461
  199    QG2  ILE  19           QG2      ILE  19   7.358  -4.837  -2.841
  200    QD1  ILE  19           QD1      ILE  19   7.369  -6.208  -6.144
  201    H    ARG  20           HN       ARG  20   4.983  -2.837  -3.735
  202    HA   ARG  20           HA       ARG  20   5.880  -0.647  -1.967
  203   1HB   ARG  20          2HB       ARG  20   3.325  -0.787  -3.622
  204   2HB   ARG  20          3HB       ARG  20   3.347   0.107  -2.111
  205   1HG   ARG  20          2HG       ARG  20   5.204   0.706  -4.437
  206   2HG   ARG  20          3HG       ARG  20   3.678   1.535  -4.068
  207   1HD   ARG  20          2HD       ARG  20   4.606   2.024  -1.741
  208   2HD   ARG  20          3HD       ARG  20   6.187   1.537  -2.326
  209    HE   ARG  20           HE       ARG  20   4.748   3.996  -2.797
  210   1HH1  ARG  20          2HH2      ARG  20   7.091   1.800  -4.259
  211   2HH1  ARG  20          1HH2      ARG  20   7.864   3.009  -5.238
  212   1HH2  ARG  20          2HH1      ARG  20   5.674   5.616  -4.157
  213   2HH2  ARG  20          1HH1      ARG  20   6.999   5.238  -5.205
  214    QB   ARG  20           QB       ARG  20   3.336  -0.340  -2.867
  215    QG   ARG  20           QG       ARG  20   4.441   1.121  -4.252
  216    QD   ARG  20           QD       ARG  20   5.397   1.781  -2.034
  217    QH1  ARG  20           QH2      ARG  20   7.477   2.405  -4.748
  218    QH2  ARG  20           QH1      ARG  20   6.336   5.427  -4.681
  219    H    TYR  21           HN       TYR  21   4.156  -0.566  -0.142
  220    HA   TYR  21           HA       TYR  21   2.984  -3.217   0.337
  221   1HB   TYR  21          2HB       TYR  21   4.136  -1.521   2.558
  222   2HB   TYR  21          3HB       TYR  21   3.497  -3.119   2.693
  223    HD1  TYR  21           HD1      TYR  21   6.333  -1.552   0.657
  224    HD2  TYR  21           HD2      TYR  21   5.092  -4.613   3.431
  225    HE1  TYR  21           HE1      TYR  21   8.479  -2.680   0.353
  226    HE2  TYR  21           HE2      TYR  21   7.367  -5.583   3.326
  227    HH   TYR  21           HH       TYR  21   9.914  -4.250   1.208
  228    QB   TYR  21           QB       TYR  21   3.817  -2.320   2.626
  229    QR   TYR  21           QR       TYR  21   6.818  -3.607   1.942
  230    H    PHE  22           HN       PHE  22   1.363  -3.033   2.151
  231    HA   PHE  22           HA       PHE  22  -0.011  -0.492   2.463
  232   1HB   PHE  22          2HB       PHE  22  -2.114  -1.104   1.598
  233   2HB   PHE  22          3HB       PHE  22  -1.016  -1.160   0.275
  234    HD1  PHE  22          2HD       PHE  22   0.068  -3.793   0.075
  235    HD2  PHE  22          1HD       PHE  22  -3.809  -2.645   1.590
  236    HE1  PHE  22          2HE       PHE  22  -0.795  -6.054  -0.416
  237    HE2  PHE  22          1HE       PHE  22  -4.668  -4.902   1.082
  238    HZ   PHE  22           HZ       PHE  22  -3.167  -6.616   0.081
  239    QB   PHE  22           QB       PHE  22  -1.565  -1.132   0.937
  240    QR   PHE  22           QR       PHE  22  -2.301  -4.349   0.583
  241    H    TYR  23           HN       TYR  23  -1.467  -0.661   4.260
  242    HA   TYR  23           HA       TYR  23  -1.284  -3.051   5.960
  243   1HB   TYR  23          2HB       TYR  23  -1.556  -0.730   6.797
  244   2HB   TYR  23          3HB       TYR  23  -3.163  -0.695   6.078
  245    HD1  TYR  23           HD2      TYR  23  -4.919  -2.377   6.935
  246    HD2  TYR  23           HD1      TYR  23  -1.154  -1.692   8.919
  247    HE1  TYR  23           HE2      TYR  23  -5.920  -3.085   9.078
  248    HE2  TYR  23           HE1      TYR  23  -2.156  -2.386  11.058
  249    HH   TYR  23           HH       TYR  23  -5.527  -3.505  11.351
  250    QB   TYR  23           QB       TYR  23  -2.359  -0.712   6.437
  251    QR   TYR  23           QR       TYR  23  -3.537  -2.385   8.997
  252    H    ASN  24           HN       ASN  24  -2.414  -4.847   5.431
  253    HA   ASN  24           HA       ASN  24  -4.839  -4.619   3.696
  254   1HB   ASN  24          2HB       ASN  24  -3.182  -6.222   2.969
  255   2HB   ASN  24          3HB       ASN  24  -3.206  -7.056   4.524
  256   1HD2  ASN  24          2HD2      ASN  24  -5.374  -9.090   2.417
  257   2HD2  ASN  24          1HD2      ASN  24  -3.682  -8.818   2.832
  258    QB   ASN  24           QB       ASN  24  -3.194  -6.639   3.747
  259    QD2  ASN  24           QD2      ASN  24  -4.528  -8.954   2.625
  260    H    ALA  25           HN       ALA  25  -6.358  -3.895   5.223
  261    HA   ALA  25           HA       ALA  25  -6.923  -4.832   7.760
  262   1HB   ALA  25          2HB       ALA  25  -8.805  -4.246   5.434
  263   2HB   ALA  25          3HB       ALA  25  -9.290  -4.405   7.135
  264   3HB   ALA  25          1HB       ALA  25  -8.189  -3.089   6.642
  265    QB   ALA  25           QB       ALA  25  -8.761  -3.913   6.404
  266    H    LYS  26           HN       LYS  26  -7.050  -6.753   4.749
  267    HA   LYS  26           HA       LYS  26  -9.045  -8.543   5.925
  268   1HB   LYS  26          2HB       LYS  26  -8.787  -7.912   3.462
  269   2HB   LYS  26          3HB       LYS  26  -7.480  -9.103   3.389
  270   1HG   LYS  26          2HG       LYS  26  -8.948 -10.908   3.830
  271   2HG   LYS  26          3HG       LYS  26 -10.146  -9.858   4.599
  272   1HD   LYS  26          2HD       LYS  26 -10.566  -8.763   2.338
  273   2HD   LYS  26          3HD       LYS  26  -9.494  -9.967   1.622
  274   1HE   LYS  26          2HE       LYS  26 -11.834 -10.611   1.327
  275   2HE   LYS  26          3HE       LYS  26 -11.012 -11.788   2.364
  276   1HZ   LYS  26          2HZ       LYS  26 -12.717  -9.582   3.343
  277   2HZ   LYS  26          3HZ       LYS  26 -13.208 -11.141   3.165
  278   3HZ   LYS  26          1HZ       LYS  26 -12.042 -10.773   4.259
  279    QB   LYS  26           QB       LYS  26  -8.134  -8.508   3.426
  280    QG   LYS  26           QG       LYS  26  -9.547 -10.383   4.215
  281    QD   LYS  26           QD       LYS  26 -10.030  -9.365   1.980
  282    QE   LYS  26           QE       LYS  26 -11.423 -11.199   1.845
  283    QZ   LYS  26           QZ       LYS  26 -12.656 -10.499   3.589
  284    H    ALA  27           HN       ALA  27  -5.654  -8.198   6.134
  285    HA   ALA  27           HA       ALA  27  -5.399 -10.906   7.396
  286   1HB   ALA  27          1HB       ALA  27  -3.890 -10.593   5.482
  287   2HB   ALA  27          2HB       ALA  27  -3.251  -9.104   6.217
  288   3HB   ALA  27          3HB       ALA  27  -2.992 -10.672   7.012
  289    QB   ALA  27           QB       ALA  27  -3.377 -10.123   6.237
  290    H    GLY  28           HN       GLY  28  -5.296  -7.426   7.827
  291   1HA   GLY  28          1HA       GLY  28  -5.106  -6.133   9.698
  292   2HA   GLY  28          2HA       GLY  28  -5.054  -7.586  10.715
  293    QA   GLY  28           QA       GLY  28  -5.080  -6.859  10.206
  294    H    LEU  29           HN       LEU  29  -2.920  -6.791   7.923
  295    HA   LEU  29           HA       LEU  29  -0.606  -6.276   9.639
  296   1HB   LEU  29          2HB       LEU  29  -0.934  -8.771   9.551
  297   2HB   LEU  29          3HB       LEU  29  -0.888  -8.686   7.788
  298    HG   LEU  29           HG       LEU  29   1.490  -7.978   7.876
  299   1HD1  LEU  29          2HD1      LEU  29   1.159  -8.314  10.901
  300   2HD1  LEU  29          3HD1      LEU  29   2.712  -8.165  10.054
  301   3HD1  LEU  29          1HD1      LEU  29   1.582  -6.808  10.060
  302   1HD2  LEU  29          1HD2      LEU  29   0.828 -10.344   7.748
  303   2HD2  LEU  29          2HD2      LEU  29   2.354 -10.130   8.630
  304   3HD2  LEU  29          3HD2      LEU  29   0.845 -10.446   9.523
  305    QB   LEU  29           QB       LEU  29  -0.911  -8.728   8.670
  306    QD1  LEU  29           QD1      LEU  29   1.818  -7.762  10.338
  307    QD2  LEU  29           QD2      LEU  29   1.342 -10.307   8.634
  308    QQD  LEU  29           QQD      LEU  29   1.580  -9.034   9.486
  309    H    CYS  30           HN       CYS  30   1.301  -5.779   8.237
  310    HA   CYS  30           HA       CYS  30   0.517  -4.218   5.846
  311   1HB   CYS  30          2HB       CYS  30   2.997  -4.389   7.567
  312   2HB   CYS  30          3HB       CYS  30   2.857  -3.392   6.108
  313    QB   CYS  30           QB       CYS  30   2.927  -3.890   6.837
  314    H    GLN  31           HN       GLN  31   0.838  -4.963   3.847
  315    HA   GLN  31           HA       GLN  31   2.596  -7.336   3.401
  316   1HB   GLN  31          2HB       GLN  31  -0.305  -6.938   2.541
  317   2HB   GLN  31          3HB       GLN  31   0.742  -8.296   2.067
  318   1HG   GLN  31          2HG       GLN  31   1.005  -8.864   4.502
  319   2HG   GLN  31          3HG       GLN  31  -0.207  -7.626   4.888
  320   1HE2  GLN  31          2HE2      GLN  31  -1.722 -11.130   4.395
  321   2HE2  GLN  31          1HE2      GLN  31  -0.230 -10.665   5.191
  322    QB   GLN  31           QB       GLN  31   0.219  -7.617   2.304
  323    QG   GLN  31           QG       GLN  31   0.399  -8.245   4.695
  324    QE2  GLN  31           QE2      GLN  31  -0.976 -10.898   4.793
  325    H    THR  32           HN       THR  32   3.033  -7.675   1.071
  326    HA   THR  32           HA       THR  32   3.816  -5.157  -0.113
  327    HB   THR  32           HB       THR  32   5.039  -6.793  -1.622
  328    HG1  THR  32          1HG       THR  32   3.488  -8.531  -1.186
  329   1HG2  THR  32          2HG2      THR  32   5.401  -6.990   1.401
  330   2HG2  THR  32          3HG2      THR  32   6.539  -7.645   0.215
  331   3HG2  THR  32          1HG2      THR  32   6.222  -5.901   0.258
  332    QG2  THR  32           QG2      THR  32   6.054  -6.845   0.625
  333    H    PHE  33           HN       PHE  33   3.475  -4.672  -2.439
  334    HA   PHE  33           HA       PHE  33   1.951  -6.514  -4.041
  335   1HB   PHE  33          2HB       PHE  33   0.179  -5.124  -4.732
  336   2HB   PHE  33          3HB       PHE  33   0.101  -5.185  -2.985
  337    HD1  PHE  33          2HD       PHE  33   1.415  -3.130  -1.764
  338    HD2  PHE  33          1HD       PHE  33  -0.226  -3.063  -5.756
  339    HE1  PHE  33          2HE       PHE  33   0.785  -0.742  -1.492
  340    HE2  PHE  33          1HE       PHE  33  -0.851  -0.713  -5.463
  341    HZ   PHE  33           HZ       PHE  33  -0.396   0.447  -3.292
  342    QB   PHE  33           QB       PHE  33   0.140  -5.154  -3.858
  343    QR   PHE  33           QR       PHE  33   0.281  -1.912  -3.619
  344    H    VAL  34           HN       VAL  34   2.102  -5.947  -6.338
  345    HA   VAL  34           HA       VAL  34   4.389  -4.215  -7.047
  346    HB   VAL  34           HB       VAL  34   2.407  -5.818  -8.719
  347   1HG1  VAL  34          3HG1      VAL  34   4.708  -3.992  -9.566
  348   2HG1  VAL  34          1HG1      VAL  34   3.858  -5.149 -10.630
  349   3HG1  VAL  34          2HG1      VAL  34   3.006  -3.761  -9.982
  350   1HG2  VAL  34          2HG2      VAL  34   4.185  -7.143  -7.542
  351   2HG2  VAL  34          3HG2      VAL  34   4.369  -7.160  -9.304
  352   3HG2  VAL  34          1HG2      VAL  34   5.418  -6.124  -8.318
  353    QG1  VAL  34           QG1      VAL  34   3.858  -4.301 -10.060
  354    QG2  VAL  34           QG2      VAL  34   4.658  -6.809  -8.388
  355    QQG  VAL  34           QQG      VAL  34   4.258  -5.555  -9.224
  356    H    TYR  35           HN       TYR  35   4.098  -2.125  -7.324
  357    HA   TYR  35           HA       TYR  35   1.407  -0.953  -7.664
  358   1HB   TYR  35          2HB       TYR  35   2.353  -0.414  -5.592
  359   2HB   TYR  35          3HB       TYR  35   3.926  -0.042  -6.298
  360    HD1  TYR  35           HD1      TYR  35   0.337   1.053  -6.563
  361    HD2  TYR  35           HD2      TYR  35   4.506   2.164  -6.681
  362    HE1  TYR  35           HE1      TYR  35  -0.293   3.387  -7.148
  363    HE2  TYR  35           HE2      TYR  35   3.809   4.565  -6.966
  364    HH   TYR  35           HH       TYR  35   0.583   5.278  -8.166
  365    QB   TYR  35           QB       TYR  35   3.140  -0.228  -5.945
  366    QR   TYR  35           QR       TYR  35   2.090   2.792  -6.839
  367    H    GLY  36           HN       GLY  36   1.077   0.462  -9.169
  368   1HA   GLY  36          1HA       GLY  36   2.131   0.345 -11.693
  369   2HA   GLY  36          2HA       GLY  36   1.102   1.635 -11.117
  370    QA   GLY  36           QA       GLY  36   1.616   0.990 -11.405
  371    H    GLY  37           HN       GLY  37   2.983   2.730  -9.176
  372   1HA   GLY  37          1HA       GLY  37   4.794   4.213  -9.112
  373   2HA   GLY  37          2HA       GLY  37   5.286   3.680 -10.719
  374    QA   GLY  37           QA       GLY  37   5.040   3.947  -9.916
  375    H    CYS  38           HN       CYS  38   2.069   4.947  -9.777
  376    HA   CYS  38           HA       CYS  38   2.468   7.627 -10.431
  377   1HB   CYS  38          2HB       CYS  38   1.532   7.962 -12.535
  378   2HB   CYS  38          3HB       CYS  38   2.572   6.576 -12.833
  379    QB   CYS  38           QB       CYS  38   2.052   7.269 -12.684
  380    H    ARG  39           HN       ARG  39   0.549   8.797  -9.839
  381    HA   ARG  39           HA       ARG  39  -1.414   9.148  -8.736
  382   1HB   ARG  39          2HB       ARG  39  -2.383   6.803 -10.414
  383   2HB   ARG  39          3HB       ARG  39  -3.396   8.065  -9.720
  384   1HG   ARG  39          2HG       ARG  39  -1.200   8.643 -11.765
  385   2HG   ARG  39          3HG       ARG  39  -2.827   8.183 -12.221
  386   1HD   ARG  39          2HD       ARG  39  -2.414  10.520 -10.326
  387   2HD   ARG  39          3HD       ARG  39  -2.126  10.753 -12.036
  388    HE   ARG  39           HE       ARG  39  -4.671  10.517 -10.696
  389   1HH1  ARG  39          2HH2      ARG  39  -3.056   9.858 -13.752
  390   2HH1  ARG  39          1HH2      ARG  39  -4.461  10.077 -14.749
  391   1HH2  ARG  39          2HH1      ARG  39  -6.587  10.827 -11.986
  392   2HH2  ARG  39          1HH1      ARG  39  -6.520  10.616 -13.703
  393    QB   ARG  39           QB       ARG  39  -2.889   7.434 -10.067
  394    QG   ARG  39           QG       ARG  39  -2.013   8.413 -11.993
  395    QD   ARG  39           QD       ARG  39  -2.270  10.637 -11.181
  396    QH1  ARG  39           QH2      ARG  39  -3.758   9.968 -14.251
  397    QH2  ARG  39           QH1      ARG  39  -6.553  10.721 -12.844
  398    H    ALA  40           HN       ALA  40   0.289   7.795  -7.109
  399    HA   ALA  40           HA       ALA  40  -0.593   5.361  -5.998
  400   1HB   ALA  40          3HB       ALA  40   1.631   6.396  -5.576
  401   2HB   ALA  40          1HB       ALA  40   0.832   7.625  -4.581
  402   3HB   ALA  40          2HB       ALA  40   0.786   5.914  -4.099
  403    QB   ALA  40           QB       ALA  40   1.083   6.645  -4.752
  404    H    LYS  41           HN       LYS  41  -1.717   4.968  -3.885
  405    HA   LYS  41           HA       LYS  41  -3.637   7.099  -3.088
  406   1HB   LYS  41          2HB       LYS  41  -3.552   4.117  -2.421
  407   2HB   LYS  41          3HB       LYS  41  -4.776   5.269  -1.899
  408   1HG   LYS  41          2HG       LYS  41  -4.243   4.586  -4.787
  409   2HG   LYS  41          3HG       LYS  41  -5.521   3.942  -3.727
  410   1HD   LYS  41          2HD       LYS  41  -5.957   6.612  -3.350
  411   2HD   LYS  41          3HD       LYS  41  -5.217   6.670  -4.973
  412   1HE   LYS  41          2HE       LYS  41  -6.823   4.780  -5.576
  413   2HE   LYS  41          3HE       LYS  41  -7.591   5.029  -3.989
  414   1HZ   LYS  41          3HZ       LYS  41  -7.399   7.056  -6.138
  415   2HZ   LYS  41          1HZ       LYS  41  -8.745   6.177  -5.797
  416   3HZ   LYS  41          2HZ       LYS  41  -8.167   7.251  -4.694
  417    QB   LYS  41           QB       LYS  41  -4.164   4.693  -2.160
  418    QG   LYS  41           QG       LYS  41  -4.882   4.264  -4.257
  419    QD   LYS  41           QD       LYS  41  -5.587   6.641  -4.161
  420    QE   LYS  41           QE       LYS  41  -7.207   4.905  -4.782
  421    QZ   LYS  41           QZ       LYS  41  -8.104   6.828  -5.543
  422    H    ARG  42           HN       ARG  42  -3.925   6.131  -0.431
  423    HA   ARG  42           HA       ARG  42  -1.520   7.485   0.694
  424   1HB   ARG  42          2HB       ARG  42  -4.142   6.583   1.917
  425   2HB   ARG  42          3HB       ARG  42  -2.870   7.450   2.775
  426   1HG   ARG  42          2HG       ARG  42  -3.112   9.402   1.482
  427   2HG   ARG  42          3HG       ARG  42  -4.048   8.624   0.211
  428   1HD   ARG  42          2HD       ARG  42  -5.056   8.770   3.057
  429   2HD   ARG  42          3HD       ARG  42  -5.391  10.032   1.891
  430    HE   ARG  42           HE       ARG  42  -6.149   7.113   1.635
  431   1HH1  ARG  42          2HH2      ARG  42  -6.695  10.422   0.505
  432   2HH1  ARG  42          1HH2      ARG  42  -8.088  10.002  -0.439
  433   1HH2  ARG  42          2HH1      ARG  42  -7.898   6.542   0.369
  434   2HH2  ARG  42          1HH1      ARG  42  -8.874   7.756  -0.416
  435    QB   ARG  42           QB       ARG  42  -3.506   7.016   2.346
  436    QG   ARG  42           QG       ARG  42  -3.580   9.013   0.846
  437    QD   ARG  42           QD       ARG  42  -5.223   9.401   2.474
  438    QH1  ARG  42           QH2      ARG  42  -7.392  10.212   0.033
  439    QH2  ARG  42           QH1      ARG  42  -8.386   7.149  -0.023
  440    H    ASN  43           HN       ASN  43  -3.371   4.450   0.894
  441    HA   ASN  43           HA       ASN  43  -1.562   3.184   2.765
  442   1HB   ASN  43          2HB       ASN  43  -4.006   2.870   2.466
  443   2HB   ASN  43          3HB       ASN  43  -3.691   1.982   0.951
  444   1HD2  ASN  43          2HD2      ASN  43  -4.185  -0.711   3.326
  445   2HD2  ASN  43          1HD2      ASN  43  -4.952   0.311   2.095
  446    QB   ASN  43           QB       ASN  43  -3.848   2.426   1.708
  447    QD2  ASN  43           QD2      ASN  43  -4.568  -0.200   2.711
  448    H    ASN  44           HN       ASN  44   0.253   3.959   1.208
  449    HA   ASN  44           HA       ASN  44   1.128   1.853  -0.742
  450   1HB   ASN  44          2HB       ASN  44   0.655   4.822  -1.167
  451   2HB   ASN  44          3HB       ASN  44   1.957   4.020  -2.038
  452   1HD2  ASN  44          2HD2      ASN  44  -0.025   2.521  -4.460
  453   2HD2  ASN  44          1HD2      ASN  44   1.584   2.726  -3.800
  454    QB   ASN  44           QB       ASN  44   1.306   4.421  -1.603
  455    QD2  ASN  44           QD2      ASN  44   0.780   2.624  -4.130
  456    H    PHE  45           HN       PHE  45   2.508   1.266   1.107
  457    HA   PHE  45           HA       PHE  45   4.441   3.353   2.017
  458   1HB   PHE  45          2HB       PHE  45   3.790   0.672   3.245
  459   2HB   PHE  45          3HB       PHE  45   4.638   2.013   4.003
  460    HD1  PHE  45          2HD       PHE  45   3.208   4.358   3.886
  461    HD2  PHE  45          1HD       PHE  45   1.515   0.395   3.830
  462    HE1  PHE  45          2HE       PHE  45   1.118   5.226   4.850
  463    HE2  PHE  45          1HE       PHE  45  -0.435   1.225   5.123
  464    HZ   PHE  45           HZ       PHE  45  -0.661   3.629   5.619
  465    QB   PHE  45           QB       PHE  45   4.214   1.343   3.624
  466    QR   PHE  45           QR       PHE  45   1.352   2.801   4.422
  467    H    LYS  46           HN       LYS  46   6.652   2.455   2.652
  468    HA   LYS  46           HA       LYS  46   7.693   0.943   0.311
  469   1HB   LYS  46          2HB       LYS  46   9.197   2.605   2.344
  470   2HB   LYS  46          3HB       LYS  46   9.754   1.992   0.771
  471   1HG   LYS  46          2HG       LYS  46   7.512   3.334   0.032
  472   2HG   LYS  46          3HG       LYS  46   7.956   4.327   1.417
  473   1HD   LYS  46          2HD       LYS  46   9.849   3.638  -0.904
  474   2HD   LYS  46          3HD       LYS  46   8.853   5.086  -0.842
  475   1HE   LYS  46          2HE       LYS  46  11.168   5.550  -0.143
  476   2HE   LYS  46          3HE       LYS  46   9.986   5.945   1.110
  477   1HZ   LYS  46          3HZ       LYS  46  11.552   3.450   1.075
  478   2HZ   LYS  46          1HZ       LYS  46  11.962   4.789   1.936
  479   3HZ   LYS  46          2HZ       LYS  46  10.579   3.989   2.285
  480    QB   LYS  46           QB       LYS  46   9.475   2.299   1.558
  481    QG   LYS  46           QG       LYS  46   7.734   3.831   0.724
  482    QD   LYS  46           QD       LYS  46   9.351   4.362  -0.873
  483    QE   LYS  46           QE       LYS  46  10.577   5.748   0.483
  484    QZ   LYS  46           QZ       LYS  46  11.364   4.076   1.765
  485    H    SER  47           HN       SER  47   7.088   0.549   3.646
  486    HA   SER  47           HA       SER  47   8.281  -2.110   3.553
  487   1HB   SER  47          2HB       SER  47   9.655  -1.894   5.529
  488   2HB   SER  47          3HB       SER  47  10.180  -0.661   4.364
  489    HG   SER  47           HG       SER  47   9.198   0.884   5.535
  490    QB   SER  47           QB       SER  47   9.918  -1.277   4.947
  491    H    ALA  48           HN       ALA  48   7.724  -3.341   5.553
  492    HA   ALA  48           HA       ALA  48   5.003  -2.941   6.314
  493   1HB   ALA  48          2HB       ALA  48   6.011  -5.183   6.281
  494   2HB   ALA  48          3HB       ALA  48   7.145  -4.712   7.569
  495   3HB   ALA  48          1HB       ALA  48   5.406  -4.798   7.900
  496    QB   ALA  48           QB       ALA  48   6.187  -4.898   7.250
  497    H    GLU  49           HN       GLU  49   8.142  -2.006   7.812
  498    HA   GLU  49           HA       GLU  49   6.829  -1.210  10.235
  499   1HB   GLU  49          2HB       GLU  49   8.853  -0.266  10.941
  500   2HB   GLU  49          3HB       GLU  49   9.117  -1.908  10.369
  501   1HG   GLU  49          2HG       GLU  49  10.411  -1.214   8.540
  502   2HG   GLU  49          3HG       GLU  49   9.680   0.399   8.482
  503    QB   GLU  49           QB       GLU  49   8.985  -1.087  10.655
  504    QG   GLU  49           QG       GLU  49  10.045  -0.407   8.511
  505    H    ASP  50           HN       ASP  50   7.827   0.527   7.239
  506    HA   ASP  50           HA       ASP  50   7.136   3.186   8.037
  507   1HB   ASP  50          2HB       ASP  50   6.846   1.767   5.339
  508   2HB   ASP  50          3HB       ASP  50   6.408   3.454   5.594
  509    QB   ASP  50           QB       ASP  50   6.627   2.611   5.466
  510    H    CYS  51           HN       CYS  51   5.265   0.609   6.510
  511    HA   CYS  51           HA       CYS  51   2.737   1.783   6.433
  512   1HB   CYS  51          2HB       CYS  51   3.196  -0.264   5.285
  513   2HB   CYS  51          3HB       CYS  51   3.640  -1.087   6.744
  514    QB   CYS  51           QB       CYS  51   3.418  -0.676   6.015
  515    H    MET  52           HN       MET  52   3.826  -0.472   9.092
  516    HA   MET  52           HA       MET  52   1.614   0.209  10.728
  517   1HB   MET  52          2HB       MET  52   4.339  -0.984  11.297
  518   2HB   MET  52          3HB       MET  52   3.286  -0.478  12.623
  519   1HG   MET  52          2HG       MET  52   1.415  -1.804  11.647
  520   2HG   MET  52          3HG       MET  52   2.565  -2.461  10.465
  521   1HE   MET  52          2HE       MET  52   1.419  -4.734  11.240
  522   2HE   MET  52          3HE       MET  52   1.551  -5.388  12.894
  523   3HE   MET  52          1HE       MET  52   0.525  -3.970  12.575
  524    QB   MET  52           QB       MET  52   3.813  -0.731  11.960
  525    QG   MET  52           QG       MET  52   1.990  -2.133  11.056
  526    QE   MET  52           QE       MET  52   1.165  -4.698  12.236
  527    H    ARG  53           HN       ARG  53   4.762   1.907  10.461
  528    HA   ARG  53           HA       ARG  53   4.394   3.675  12.612
  529   1HB   ARG  53          2HB       ARG  53   6.236   3.465  10.432
  530   2HB   ARG  53          3HB       ARG  53   5.497   5.037  10.255
  531   1HG   ARG  53          2HG       ARG  53   7.477   5.278  11.584
  532   2HG   ARG  53          3HG       ARG  53   6.072   5.534  12.621
  533   1HD   ARG  53          2HD       ARG  53   7.525   4.253  13.909
  534   2HD   ARG  53          3HD       ARG  53   6.343   3.052  13.344
  535    HE   ARG  53           HE       ARG  53   8.481   3.011  11.503
  536   1HH1  ARG  53          2HH2      ARG  53   7.820   2.244  14.872
  537   2HH1  ARG  53          1HH2      ARG  53   9.210   1.217  15.084
  538   1HH2  ARG  53          2HH1      ARG  53  10.398   1.677  11.766
  539   2HH2  ARG  53          1HH1      ARG  53  10.663   0.837  13.244
  540    QB   ARG  53           QB       ARG  53   5.866   4.251  10.344
  541    QG   ARG  53           QG       ARG  53   6.774   5.406  12.103
  542    QD   ARG  53           QD       ARG  53   6.934   3.652  13.626
  543    QH1  ARG  53           QH2      ARG  53   8.515   1.730  14.978
  544    QH2  ARG  53           QH1      ARG  53  10.531   1.257  12.505
  545    H    THR  54           HN       THR  54   2.936   3.793   9.384
  546    HA   THR  54           HA       THR  54   1.589   6.356   9.964
  547    HB   THR  54           HB       THR  54   1.354   4.421   7.618
  548    HG1  THR  54          1HG       THR  54   3.403   5.325   7.854
  549   1HG2  THR  54          2HG2      THR  54   0.292   7.238   8.089
  550   2HG2  THR  54          3HG2      THR  54   0.458   6.533   6.480
  551   3HG2  THR  54          1HG2      THR  54  -0.629   5.778   7.653
  552    QG2  THR  54           QG2      THR  54   0.040   6.516   7.407
  553    H    CYS  55           HN       CYS  55   0.619   3.008   9.325
  554    HA   CYS  55           HA       CYS  55  -2.214   3.531   9.648
  555   1HB   CYS  55          2HB       CYS  55  -0.521   1.679   8.309
  556   2HB   CYS  55          3HB       CYS  55  -1.468   0.712   9.423
  557    QB   CYS  55           QB       CYS  55  -0.995   1.195   8.866
  558    H    GLY  56           HN       GLY  56   0.288   2.669  11.833
  559   1HA   GLY  56          1HA       GLY  56   0.182   2.400  14.083
  560   2HA   GLY  56          2HA       GLY  56  -1.580   2.242  14.031
  561    QA   GLY  56           QA       GLY  56  -0.699   2.321  14.057
  562    H    GLY  57           HN       GLY  57  -2.437   0.261  13.232
  563   1HA   GLY  57          1HA       GLY  57  -2.364  -2.228  13.281
  564   2HA   GLY  57          2HA       GLY  57  -0.841  -2.110  14.185
  565    QA   GLY  57           QA       GLY  57  -1.602  -2.169  13.733
  566    H    ALA  58           HN       ALA  58  -2.030  -3.290  15.900
  567    HA   ALA  58           HA       ALA  58  -3.253  -3.539  17.751
  568   1HB   ALA  58          3HB       ALA  58  -2.360  -1.257  18.417
  569   2HB   ALA  58          1HB       ALA  58  -3.902  -0.577  17.842
  570   3HB   ALA  58          2HB       ALA  58  -3.892  -1.756  19.161
  571    QB   ALA  58           QB       ALA  58  -3.384  -1.197  18.473
   
  No H/Q in entry =         571
  Start of MODEL   17
    1    H    ARG   1           HN       ARG   1  -6.342   5.031  14.456
    2    HA   ARG   1           HA       ARG   1  -5.037   4.865  12.197
    3   1HB   ARG   1          2HB       ARG   1  -5.957   3.007  13.658
    4   2HB   ARG   1          3HB       ARG   1  -7.426   3.025  12.689
    5   1HG   ARG   1          2HG       ARG   1  -4.792   2.794  11.245
    6   2HG   ARG   1          3HG       ARG   1  -5.195   1.464  12.303
    7   1HD   ARG   1          2HD       ARG   1  -6.840   2.432   9.917
    8   2HD   ARG   1          3HD       ARG   1  -5.895   0.942  10.028
    9    HE   ARG   1           HE       ARG   1  -8.571   1.409  10.772
   10   1HH1  ARG   1          2HH2      ARG   1  -5.760  -0.536  11.740
   11   2HH1  ARG   1          1HH2      ARG   1  -6.661  -1.655  12.681
   12   1HH2  ARG   1          2HH1      ARG   1  -9.805  -0.101  12.006
   13   2HH2  ARG   1          1HH1      ARG   1  -9.027  -1.434  12.793
   14    QB   ARG   1           QB       ARG   1  -6.692   3.016  13.174
   15    QG   ARG   1           QG       ARG   1  -4.993   2.129  11.774
   16    QD   ARG   1           QD       ARG   1  -6.367   1.687   9.973
   17    QH1  ARG   1           QH2      ARG   1  -6.211  -1.095  12.211
   18    QH2  ARG   1           QH1      ARG   1  -9.416  -0.768  12.399
   19    HA   PRO   2           HA       PRO   2  -8.004   6.904   9.441
   20   1HB   PRO   2          2HB       PRO   2  -6.617   6.830   7.066
   21   2HB   PRO   2          3HB       PRO   2  -6.264   7.958   8.375
   22   1HG   PRO   2          2HG       PRO   2  -4.752   5.505   7.570
   23   2HG   PRO   2          3HG       PRO   2  -4.157   6.960   8.403
   24   1HD   PRO   2          2HD       PRO   2  -4.722   4.506   9.640
   25   2HD   PRO   2          3HD       PRO   2  -4.501   6.091  10.434
   26    QB   PRO   2           QB       PRO   2  -6.440   7.394   7.721
   27    QG   PRO   2           QG       PRO   2  -4.454   6.232   7.987
   28    QD   PRO   2           QD       PRO   2  -4.612   5.298  10.037
   29    H    ASP   3           HN       ASP   3  -9.541   6.522   7.766
   30    HA   ASP   3           HA       ASP   3 -10.330   3.902   7.171
   31   1HB   ASP   3          2HB       ASP   3 -10.871   6.556   5.766
   32   2HB   ASP   3          3HB       ASP   3 -11.663   5.035   5.332
   33    QB   ASP   3           QB       ASP   3 -11.267   5.795   5.549
   34    H    PHE   4           HN       PHE   4  -8.089   6.044   5.405
   35    HA   PHE   4           HA       PHE   4  -8.089   4.466   3.016
   36   1HB   PHE   4          2HB       PHE   4  -6.170   5.532   2.322
   37   2HB   PHE   4          3HB       PHE   4  -7.115   6.761   3.133
   38    HD1  PHE   4          1HD       PHE   4  -4.165   4.469   3.429
   39    HD2  PHE   4          2HD       PHE   4  -6.087   8.001   4.951
   40    HE1  PHE   4          1HE       PHE   4  -2.214   4.888   4.865
   41    HE2  PHE   4          2HE       PHE   4  -4.134   8.363   6.479
   42    HZ   PHE   4           HZ       PHE   4  -2.279   6.761   6.511
   43    QB   PHE   4           QB       PHE   4  -6.643   6.147   2.727
   44    QR   PHE   4           QR       PHE   4  -4.150   6.430   4.931
   45    H    CYS   5           HN       CYS   5  -6.676   3.911   6.194
   46    HA   CYS   5           HA       CYS   5  -4.610   2.126   5.360
   47   1HB   CYS   5          2HB       CYS   5  -5.093   3.260   7.696
   48   2HB   CYS   5          3HB       CYS   5  -6.086   1.818   7.940
   49    QB   CYS   5           QB       CYS   5  -5.590   2.539   7.818
   50    H    LEU   6           HN       LEU   6  -8.021   1.753   5.083
   51    HA   LEU   6           HA       LEU   6  -7.744  -1.225   5.023
   52   1HB   LEU   6          2HB       LEU   6 -10.313   0.355   5.148
   53   2HB   LEU   6          3HB       LEU   6 -10.048  -1.368   5.396
   54    HG   LEU   6           HG       LEU   6  -8.406  -0.244   7.371
   55   1HD1  LEU   6          1HD1      LEU   6 -10.874   1.491   7.066
   56   2HD1  LEU   6          2HD1      LEU   6  -9.970   1.331   8.584
   57   3HD1  LEU   6          3HD1      LEU   6  -9.157   1.971   7.160
   58   1HD2  LEU   6          1HD2      LEU   6 -11.304  -1.097   7.644
   59   2HD2  LEU   6          2HD2      LEU   6  -9.891  -2.172   7.670
   60   3HD2  LEU   6          3HD2      LEU   6 -10.099  -0.982   8.955
   61    QB   LEU   6           QB       LEU   6 -10.181  -0.506   5.272
   62    QD1  LEU   6           QD1      LEU   6 -10.000   1.597   7.603
   63    QD2  LEU   6           QD2      LEU   6 -10.431  -1.417   8.090
   64    QQD  LEU   6           QQD      LEU   6 -10.216   0.090   7.846
   65    H    GLU   7           HN       GLU   7  -7.383   1.315   2.858
   66    HA   GLU   7           HA       GLU   7  -9.316   0.532   0.919
   67   1HB   GLU   7          2HB       GLU   7  -8.435   2.195  -0.438
   68   2HB   GLU   7          3HB       GLU   7  -8.247   2.831   1.184
   69   1HG   GLU   7          2HG       GLU   7  -5.849   2.017   1.016
   70   2HG   GLU   7          3HG       GLU   7  -6.133   1.657  -0.681
   71    QB   GLU   7           QB       GLU   7  -8.341   2.513   0.373
   72    QG   GLU   7           QG       GLU   7  -5.991   1.837   0.168
   73    HA   PRO   8           HA       PRO   8  -7.181  -2.896  -0.793
   74   1HB   PRO   8          2HB       PRO   8  -8.137  -3.008  -3.397
   75   2HB   PRO   8          3HB       PRO   8  -9.097  -3.415  -1.946
   76   1HG   PRO   8          2HG       PRO   8  -9.042  -0.816  -3.486
   77   2HG   PRO   8          3HG       PRO   8 -10.466  -1.717  -2.890
   78   1HD   PRO   8          2HD       PRO   8  -9.386   0.424  -1.567
   79   2HD   PRO   8          3HD       PRO   8 -10.142  -0.940  -0.691
   80    QB   PRO   8           QB       PRO   8  -8.617  -3.211  -2.671
   81    QG   PRO   8           QG       PRO   8  -9.754  -1.267  -3.188
   82    QD   PRO   8           QD       PRO   8  -9.764  -0.258  -1.129
   83    HA   PRO   9           HA       PRO   9  -3.502  -1.451  -2.649
   84   1HB   PRO   9          2HB       PRO   9  -2.424  -3.650  -3.837
   85   2HB   PRO   9          3HB       PRO   9  -2.648  -3.507  -2.078
   86   1HG   PRO   9          2HG       PRO   9  -4.411  -4.920  -4.094
   87   2HG   PRO   9          3HG       PRO   9  -3.855  -5.534  -2.513
   88   1HD   PRO   9          2HD       PRO   9  -6.326  -4.393  -2.912
   89   2HD   PRO   9          3HD       PRO   9  -5.459  -4.244  -1.366
   90    QB   PRO   9           QB       PRO   9  -2.536  -3.579  -2.957
   91    QG   PRO   9           QG       PRO   9  -4.133  -5.227  -3.304
   92    QD   PRO   9           QD       PRO   9  -5.892  -4.319  -2.139
   93    H    TYR  10           HN       TYR  10  -4.203   0.098  -4.137
   94    HA   TYR  10           HA       TYR  10  -5.236  -0.632  -6.742
   95   1HB   TYR  10          2HB       TYR  10  -5.858   1.363  -5.264
   96   2HB   TYR  10          3HB       TYR  10  -4.337   2.099  -5.753
   97    HD1  TYR  10           HD1      TYR  10  -7.596   0.747  -6.963
   98    HD2  TYR  10           HD2      TYR  10  -4.161   3.153  -7.957
   99    HE1  TYR  10           HE1      TYR  10  -8.780   1.598  -8.959
  100    HE2  TYR  10           HE2      TYR  10  -5.458   4.174  -9.840
  101    HH   TYR  10           HH       TYR  10  -8.679   3.038 -10.784
  102    QB   TYR  10           QB       TYR  10  -5.097   1.731  -5.509
  103    QR   TYR  10           QR       TYR  10  -6.499   2.418  -8.430
  104    H    THR  11           HN       THR  11  -3.903  -1.221  -8.485
  105    HA   THR  11           HA       THR  11  -1.074  -0.673  -8.366
  106    HB   THR  11           HB       THR  11  -2.826  -1.971 -10.451
  107    HG1  THR  11          1HG       THR  11  -1.813  -3.002  -8.524
  108   1HG2  THR  11          2HG2      THR  11   0.139  -1.336 -10.785
  109   2HG2  THR  11          3HG2      THR  11  -0.804  -2.451 -11.781
  110   3HG2  THR  11          1HG2      THR  11  -1.177  -0.728 -11.813
  111    QG2  THR  11           QG2      THR  11  -0.614  -1.505 -11.460
  112    H    GLY  12           HN       GLY  12  -3.779   0.797 -10.121
  113   1HA   GLY  12          1HA       GLY  12  -3.859   3.072 -10.771
  114   2HA   GLY  12          2HA       GLY  12  -2.101   3.198 -10.726
  115    QA   GLY  12           QA       GLY  12  -2.980   3.135 -10.749
  116    HA   PRO  13           HA       PRO  13  -3.400   1.757 -15.061
  117   1HB   PRO  13          2HB       PRO  13  -4.263   3.966 -16.392
  118   2HB   PRO  13          3HB       PRO  13  -5.358   2.964 -15.415
  119   1HG   PRO  13          2HG       PRO  13  -4.034   5.552 -14.594
  120   2HG   PRO  13          3HG       PRO  13  -5.751   5.090 -14.422
  121   1HD   PRO  13          2HD       PRO  13  -3.897   4.826 -12.392
  122   2HD   PRO  13          3HD       PRO  13  -5.291   3.716 -12.575
  123    QB   PRO  13           QB       PRO  13  -4.810   3.465 -15.904
  124    QG   PRO  13           QG       PRO  13  -4.892   5.321 -14.508
  125    QD   PRO  13           QD       PRO  13  -4.594   4.271 -12.483
  126    H    CYS  14           HN       CYS  14  -0.948   1.954 -13.936
  127    HA   CYS  14           HA       CYS  14   0.516   3.858 -15.740
  128   1HB   CYS  14          2HB       CYS  14   1.044   3.376 -12.810
  129   2HB   CYS  14          3HB       CYS  14   2.163   4.175 -13.935
  130    QB   CYS  14           QB       CYS  14   1.603   3.775 -13.372
  131    H    LYS  15           HN       LYS  15   2.400   3.074 -16.666
  132    HA   LYS  15           HA       LYS  15   2.154   0.112 -16.842
  133   1HB   LYS  15          2HB       LYS  15   3.260   2.121 -18.833
  134   2HB   LYS  15          3HB       LYS  15   3.331   0.372 -18.992
  135   1HG   LYS  15          2HG       LYS  15   1.434   0.433 -20.105
  136   2HG   LYS  15          3HG       LYS  15   0.665   0.610 -18.540
  137   1HD   LYS  15          2HD       LYS  15  -0.287   2.323 -19.889
  138   2HD   LYS  15          3HD       LYS  15   0.854   3.126 -18.817
  139   1HE   LYS  15          2HE       LYS  15   1.219   4.118 -20.951
  140   2HE   LYS  15          3HE       LYS  15   2.574   3.010 -20.746
  141   1HZ   LYS  15          1HZ       LYS  15   1.194   1.407 -22.086
  142   2HZ   LYS  15          2HZ       LYS  15   0.201   2.672 -22.441
  143   3HZ   LYS  15          3HZ       LYS  15   1.779   2.715 -22.886
  144    QB   LYS  15           QB       LYS  15   3.295   1.247 -18.912
  145    QG   LYS  15           QG       LYS  15   1.049   0.521 -19.323
  146    QD   LYS  15           QD       LYS  15   0.283   2.725 -19.353
  147    QE   LYS  15           QE       LYS  15   1.897   3.564 -20.849
  148    QZ   LYS  15           QZ       LYS  15   1.058   2.265 -22.471
  149    H    ALA  16           HN       ALA  16   3.287   0.247 -14.735
  150    HA   ALA  16           HA       ALA  16   6.156  -0.282 -15.079
  151   1HB   ALA  16          3HB       ALA  16   4.961   2.042 -13.510
  152   2HB   ALA  16          1HB       ALA  16   6.571   1.373 -13.136
  153   3HB   ALA  16          2HB       ALA  16   6.238   2.094 -14.728
  154    QB   ALA  16           QB       ALA  16   5.924   1.836 -13.791
  155    H    ARG  17           HN       ARG  17   6.981  -1.191 -12.909
  156    HA   ARG  17           HA       ARG  17   4.832  -2.340 -11.261
  157   1HB   ARG  17          2HB       ARG  17   6.992  -4.218 -11.972
  158   2HB   ARG  17          3HB       ARG  17   5.281  -4.468 -11.741
  159   1HG   ARG  17          2HG       ARG  17   5.094  -3.301 -14.146
  160   2HG   ARG  17          3HG       ARG  17   6.796  -3.757 -14.241
  161   1HD   ARG  17          2HD       ARG  17   5.610  -5.583 -15.216
  162   2HD   ARG  17          3HD       ARG  17   6.003  -6.129 -13.594
  163    HE   ARG  17           HE       ARG  17   3.769  -6.221 -13.079
  164   1HH1  ARG  17          2HH2      ARG  17   4.157  -4.147 -15.897
  165   2HH1  ARG  17          1HH2      ARG  17   2.459  -3.902 -16.171
  166   1HH2  ARG  17          2HH1      ARG  17   1.488  -5.909 -13.393
  167   2HH2  ARG  17          1HH1      ARG  17   0.913  -4.939 -14.707
  168    QB   ARG  17           QB       ARG  17   6.136  -4.343 -11.857
  169    QG   ARG  17           QG       ARG  17   5.945  -3.529 -14.194
  170    QD   ARG  17           QD       ARG  17   5.807  -5.856 -14.405
  171    QH1  ARG  17           QH2      ARG  17   3.308  -4.025 -16.034
  172    QH2  ARG  17           QH1      ARG  17   1.200  -5.424 -14.050
  173    H    ILE  18           HN       ILE  18   5.386  -1.557  -9.328
  174    HA   ILE  18           HA       ILE  18   8.243  -1.464  -8.452
  175    HB   ILE  18           HB       ILE  18   5.976   0.526  -7.977
  176   1HG1  ILE  18          2HG1      ILE  18   8.467   0.668  -9.723
  177   2HG1  ILE  18          3HG1      ILE  18   6.773   0.757 -10.232
  178   1HG2  ILE  18          3HG2      ILE  18   7.597   0.254  -6.047
  179   2HG2  ILE  18          1HG2      ILE  18   8.902   0.731  -7.151
  180   3HG2  ILE  18          2HG2      ILE  18   7.569   1.851  -6.779
  181   1HD1  ILE  18          2HD1      ILE  18   6.573   2.868  -8.812
  182   2HD1  ILE  18          3HD1      ILE  18   8.347   2.856  -8.699
  183   3HD1  ILE  18          1HD1      ILE  18   7.564   2.991 -10.283
  184    QG1  ILE  18           QG1      ILE  18   7.620   0.712  -9.978
  185    QG2  ILE  18           QG2      ILE  18   8.022   0.945  -6.659
  186    QD1  ILE  18           QD1      ILE  18   7.495   2.905  -9.264
  187    H    ILE  19           HN       ILE  19   8.450  -2.854  -6.739
  188    HA   ILE  19           HA       ILE  19   6.195  -3.946  -5.359
  189    HB   ILE  19           HB       ILE  19   9.135  -3.870  -4.599
  190   1HG1  ILE  19          2HG1      ILE  19   8.603  -4.996  -6.820
  191   2HG1  ILE  19          3HG1      ILE  19   9.419  -5.982  -5.618
  192   1HG2  ILE  19          3HG2      ILE  19   6.840  -5.545  -3.496
  193   2HG2  ILE  19          1HG2      ILE  19   8.561  -5.896  -3.221
  194   3HG2  ILE  19          2HG2      ILE  19   7.858  -4.389  -2.617
  195   1HD1  ILE  19          2HD1      ILE  19   6.404  -6.095  -6.000
  196   2HD1  ILE  19          3HD1      ILE  19   7.545  -7.111  -6.898
  197   3HD1  ILE  19          1HD1      ILE  19   7.449  -7.243  -5.136
  198    QG1  ILE  19           QG1      ILE  19   9.011  -5.489  -6.219
  199    QG2  ILE  19           QG2      ILE  19   7.753  -5.277  -3.111
  200    QD1  ILE  19           QD1      ILE  19   7.133  -6.816  -6.011
  201    H    ARG  20           HN       ARG  20   5.009  -3.035  -3.765
  202    HA   ARG  20           HA       ARG  20   6.191  -1.051  -1.958
  203   1HB   ARG  20          2HB       ARG  20   3.642  -0.676  -3.625
  204   2HB   ARG  20          3HB       ARG  20   3.908   0.255  -2.149
  205   1HG   ARG  20          2HG       ARG  20   5.763   0.275  -4.535
  206   2HG   ARG  20          3HG       ARG  20   4.521   1.486  -4.221
  207   1HD   ARG  20          2HD       ARG  20   5.706   2.471  -2.431
  208   2HD   ARG  20          3HD       ARG  20   6.430   0.986  -1.952
  209    HE   ARG  20           HE       ARG  20   8.141   1.099  -3.410
  210   1HH1  ARG  20          2HH2      ARG  20   5.816   3.593  -4.225
  211   2HH1  ARG  20          1HH2      ARG  20   6.898   4.566  -5.173
  212   1HH2  ARG  20          2HH1      ARG  20   9.654   2.352  -4.636
  213   2HH2  ARG  20          1HH1      ARG  20   9.155   3.812  -5.427
  214    QB   ARG  20           QB       ARG  20   3.775  -0.211  -2.887
  215    QG   ARG  20           QG       ARG  20   5.142   0.881  -4.378
  216    QD   ARG  20           QD       ARG  20   6.068   1.729  -2.192
  217    QH1  ARG  20           QH2      ARG  20   6.357   4.079  -4.699
  218    QH2  ARG  20           QH1      ARG  20   9.405   3.082  -5.031
  219    H    TYR  21           HN       TYR  21   4.373  -0.563  -0.199
  220    HA   TYR  21           HA       TYR  21   3.182  -3.177   0.504
  221   1HB   TYR  21          2HB       TYR  21   4.345  -1.364   2.580
  222   2HB   TYR  21          3HB       TYR  21   3.900  -3.020   2.746
  223    HD1  TYR  21           HD1      TYR  21   6.448  -1.130   0.595
  224    HD2  TYR  21           HD2      TYR  21   5.706  -4.371   3.330
  225    HE1  TYR  21           HE1      TYR  21   8.582  -2.144  -0.055
  226    HE2  TYR  21           HE2      TYR  21   7.964  -5.255   2.852
  227    HH   TYR  21           HH       TYR  21   9.785  -5.167   1.430
  228    QB   TYR  21           QB       TYR  21   4.123  -2.192   2.663
  229    QR   TYR  21           QR       TYR  21   7.175  -3.225   1.680
  230    H    PHE  22           HN       PHE  22   1.578  -2.925   2.323
  231    HA   PHE  22           HA       PHE  22   0.108  -0.442   2.470
  232   1HB   PHE  22          2HB       PHE  22  -1.869  -1.021   1.398
  233   2HB   PHE  22          3HB       PHE  22  -0.675  -1.098   0.174
  234    HD1  PHE  22          2HD       PHE  22   0.412  -3.868   0.385
  235    HD2  PHE  22          1HD       PHE  22  -3.621  -2.457   1.027
  236    HE1  PHE  22          2HE       PHE  22  -0.455  -6.115  -0.127
  237    HE2  PHE  22          1HE       PHE  22  -4.467  -4.724   0.569
  238    HZ   PHE  22           HZ       PHE  22  -2.905  -6.540  -0.113
  239    QB   PHE  22           QB       PHE  22  -1.272  -1.059   0.786
  240    QR   PHE  22           QR       PHE  22  -2.033  -4.291   0.464
  241    H    TYR  23           HN       TYR  23  -1.619  -0.673   3.981
  242    HA   TYR  23           HA       TYR  23  -1.425  -3.029   5.758
  243   1HB   TYR  23          2HB       TYR  23  -1.632  -0.634   6.530
  244   2HB   TYR  23          3HB       TYR  23  -3.249  -0.633   5.863
  245    HD1  TYR  23           HD2      TYR  23  -4.929  -2.428   6.847
  246    HD2  TYR  23           HD1      TYR  23  -1.171  -1.418   8.694
  247    HE1  TYR  23           HE2      TYR  23  -5.885  -2.927   9.063
  248    HE2  TYR  23           HE1      TYR  23  -2.110  -1.947  10.905
  249    HH   TYR  23           HH       TYR  23  -5.115  -3.499  11.375
  250    QB   TYR  23           QB       TYR  23  -2.441  -0.634   6.197
  251    QR   TYR  23           QR       TYR  23  -3.524  -2.180   8.877
  252    H    ASN  24           HN       ASN  24  -2.494  -4.837   4.986
  253    HA   ASN  24           HA       ASN  24  -4.930  -4.455   3.300
  254   1HB   ASN  24          2HB       ASN  24  -3.192  -6.024   2.559
  255   2HB   ASN  24          3HB       ASN  24  -3.399  -6.995   4.000
  256   1HD2  ASN  24          2HD2      ASN  24  -5.429  -8.706   1.511
  257   2HD2  ASN  24          1HD2      ASN  24  -3.784  -8.583   2.123
  258    QB   ASN  24           QB       ASN  24  -3.295  -6.510   3.280
  259    QD2  ASN  24           QD2      ASN  24  -4.606  -8.645   1.817
  260    H    ALA  25           HN       ALA  25  -6.381  -3.753   5.057
  261    HA   ALA  25           HA       ALA  25  -6.870  -5.249   7.375
  262   1HB   ALA  25          2HB       ALA  25  -8.705  -3.686   5.535
  263   2HB   ALA  25          3HB       ALA  25  -9.227  -4.388   7.086
  264   3HB   ALA  25          1HB       ALA  25  -7.923  -3.172   7.055
  265    QB   ALA  25           QB       ALA  25  -8.618  -3.749   6.559
  266    H    LYS  26           HN       LYS  26  -7.180  -6.477   4.084
  267    HA   LYS  26           HA       LYS  26  -9.368  -8.292   4.897
  268   1HB   LYS  26          2HB       LYS  26  -9.206  -7.278   2.622
  269   2HB   LYS  26          3HB       LYS  26  -7.851  -8.351   2.265
  270   1HG   LYS  26          2HG       LYS  26 -10.384  -9.567   3.348
  271   2HG   LYS  26          3HG       LYS  26 -10.429  -8.916   1.707
  272   1HD   LYS  26          2HD       LYS  26  -8.732 -10.411   0.911
  273   2HD   LYS  26          3HD       LYS  26  -8.220 -10.822   2.538
  274   1HE   LYS  26          2HE       LYS  26  -9.401 -12.723   1.871
  275   2HE   LYS  26          3HE       LYS  26 -10.504 -11.869   2.948
  276   1HZ   LYS  26          2HZ       LYS  26 -11.579 -10.981   0.928
  277   2HZ   LYS  26          3HZ       LYS  26 -10.578 -11.904  -0.002
  278   3HZ   LYS  26          1HZ       LYS  26 -11.643 -12.622   1.019
  279    QB   LYS  26           QB       LYS  26  -8.529  -7.814   2.444
  280    QG   LYS  26           QG       LYS  26 -10.407  -9.242   2.527
  281    QD   LYS  26           QD       LYS  26  -8.476 -10.617   1.724
  282    QE   LYS  26           QE       LYS  26  -9.953 -12.296   2.410
  283    QZ   LYS  26           QZ       LYS  26 -11.267 -11.836   0.648
  284    H    ALA  27           HN       ALA  27  -5.936  -8.168   5.154
  285    HA   ALA  27           HA       ALA  27  -5.770 -11.127   5.609
  286   1HB   ALA  27          3HB       ALA  27  -3.660  -9.204   4.589
  287   2HB   ALA  27          1HB       ALA  27  -3.408 -10.922   4.957
  288   3HB   ALA  27          2HB       ALA  27  -4.506 -10.450   3.647
  289    QB   ALA  27           QB       ALA  27  -3.858 -10.192   4.397
  290    H    GLY  28           HN       GLY  28  -4.885  -7.912   6.811
  291   1HA   GLY  28          1HA       GLY  28  -4.784  -7.477   9.204
  292   2HA   GLY  28          2HA       GLY  28  -3.947  -9.027   9.428
  293    QA   GLY  28           QA       GLY  28  -4.365  -8.252   9.316
  294    H    LEU  29           HN       LEU  29  -2.564  -6.938  10.391
  295    HA   LEU  29           HA       LEU  29  -0.808  -5.505  10.181
  296   1HB   LEU  29          2HB       LEU  29   1.212  -6.696   9.937
  297   2HB   LEU  29          3HB       LEU  29   0.043  -7.679  10.784
  298    HG   LEU  29           HG       LEU  29   0.228  -8.138   7.814
  299   1HD1  LEU  29          3HD1      LEU  29   2.378  -9.044   9.768
  300   2HD1  LEU  29          1HD1      LEU  29   2.206  -9.576   8.081
  301   3HD1  LEU  29          2HD1      LEU  29   2.600  -7.888   8.439
  302   1HD2  LEU  29          3HD2      LEU  29  -1.282  -9.508   9.336
  303   2HD2  LEU  29          1HD2      LEU  29  -0.075 -10.464   8.468
  304   3HD2  LEU  29          2HD2      LEU  29   0.166 -10.069  10.181
  305    QB   LEU  29           QB       LEU  29   0.628  -7.188  10.360
  306    QD1  LEU  29           QD1      LEU  29   2.395  -8.836   8.763
  307    QD2  LEU  29           QD2      LEU  29  -0.397 -10.014   9.328
  308    QQD  LEU  29           QQD      LEU  29   0.999  -9.425   9.046
  309    H    CYS  30           HN       CYS  30   1.410  -6.061   8.030
  310    HA   CYS  30           HA       CYS  30   0.336  -4.333   5.834
  311   1HB   CYS  30          2HB       CYS  30   2.959  -4.228   7.377
  312   2HB   CYS  30          3HB       CYS  30   2.640  -3.323   5.898
  313    QB   CYS  30           QB       CYS  30   2.800  -3.776   6.637
  314    H    GLN  31           HN       GLN  31   0.794  -5.088   3.885
  315    HA   GLN  31           HA       GLN  31   2.714  -7.377   3.621
  316   1HB   GLN  31          2HB       GLN  31  -0.090  -7.074   2.459
  317   2HB   GLN  31          3HB       GLN  31   1.112  -8.211   1.833
  318   1HG   GLN  31          2HG       GLN  31   0.003  -9.617   3.217
  319   2HG   GLN  31          3HG       GLN  31   1.292  -9.072   4.304
  320   1HE2  GLN  31          2HE2      GLN  31  -1.820  -8.877   6.232
  321   2HE2  GLN  31          1HE2      GLN  31  -0.805 -10.166   5.571
  322    QB   GLN  31           QB       GLN  31   0.511  -7.643   2.146
  323    QG   GLN  31           QG       GLN  31   0.647  -9.345   3.761
  324    QE2  GLN  31           QE2      GLN  31  -1.313  -9.521   5.901
  325    H    THR  32           HN       THR  32   3.235  -7.725   1.310
  326    HA   THR  32           HA       THR  32   4.051  -5.191   0.105
  327    HB   THR  32           HB       THR  32   5.602  -6.571  -1.118
  328    HG1  THR  32          1HG       THR  32   5.518  -8.852  -0.886
  329   1HG2  THR  32          2HG2      THR  32   5.941  -6.183   1.432
  330   2HG2  THR  32          3HG2      THR  32   5.500  -7.880   1.642
  331   3HG2  THR  32          1HG2      THR  32   6.925  -7.452   0.678
  332    QG2  THR  32           QG2      THR  32   6.122  -7.172   1.251
  333    H    PHE  33           HN       PHE  33   3.693  -4.942  -2.301
  334    HA   PHE  33           HA       PHE  33   2.089  -6.825  -3.745
  335   1HB   PHE  33          2HB       PHE  33   0.163  -5.556  -4.199
  336   2HB   PHE  33          3HB       PHE  33   0.300  -5.525  -2.460
  337    HD1  PHE  33          2HD       PHE  33   1.701  -3.378  -1.520
  338    HD2  PHE  33          1HD       PHE  33  -0.400  -3.561  -5.275
  339    HE1  PHE  33          2HE       PHE  33   1.465  -0.902  -1.528
  340    HE2  PHE  33          1HE       PHE  33  -0.629  -1.104  -5.274
  341    HZ   PHE  33           HZ       PHE  33   0.287   0.237  -3.362
  342    QB   PHE  33           QB       PHE  33   0.232  -5.541  -3.330
  343    QR   PHE  33           QR       PHE  33   0.534  -2.236  -3.399
  344    H    VAL  34           HN       VAL  34   1.719  -5.848  -6.054
  345    HA   VAL  34           HA       VAL  34   4.103  -4.226  -6.826
  346    HB   VAL  34           HB       VAL  34   2.081  -5.747  -8.517
  347   1HG1  VAL  34          3HG1      VAL  34   4.529  -4.088  -9.289
  348   2HG1  VAL  34          1HG1      VAL  34   3.636  -5.171 -10.386
  349   3HG1  VAL  34          2HG1      VAL  34   2.846  -3.752  -9.719
  350   1HG2  VAL  34          3HG2      VAL  34   4.478  -6.636  -7.154
  351   2HG2  VAL  34          1HG2      VAL  34   3.393  -7.541  -8.214
  352   3HG2  VAL  34          2HG2      VAL  34   4.772  -6.660  -8.898
  353    QG1  VAL  34           QG1      VAL  34   3.670  -4.337  -9.798
  354    QG2  VAL  34           QG2      VAL  34   4.214  -6.946  -8.089
  355    QQG  VAL  34           QQG      VAL  34   3.942  -5.641  -8.943
  356    H    TYR  35           HN       TYR  35   3.831  -2.135  -7.295
  357    HA   TYR  35           HA       TYR  35   1.100  -1.001  -7.697
  358   1HB   TYR  35          2HB       TYR  35   2.041  -0.256  -5.595
  359   2HB   TYR  35          3HB       TYR  35   3.633  -0.044  -6.306
  360    HD1  TYR  35           HD1      TYR  35   0.126   1.234  -6.764
  361    HD2  TYR  35           HD2      TYR  35   4.346   2.099  -6.823
  362    HE1  TYR  35           HE1      TYR  35  -0.352   3.618  -7.339
  363    HE2  TYR  35           HE2      TYR  35   3.826   4.498  -7.288
  364    HH   TYR  35           HH       TYR  35   0.678   5.351  -8.544
  365    QB   TYR  35           QB       TYR  35   2.837  -0.150  -5.951
  366    QR   TYR  35           QR       TYR  35   1.987   2.862  -7.054
  367    H    GLY  36           HN       GLY  36   0.928   0.507  -9.376
  368   1HA   GLY  36          1HA       GLY  36   2.446   0.127 -11.696
  369   2HA   GLY  36          2HA       GLY  36   1.331   1.455 -11.405
  370    QA   GLY  36           QA       GLY  36   1.888   0.791 -11.550
  371    H    GLY  37           HN       GLY  37   2.164   3.403 -10.251
  372   1HA   GLY  37          1HA       GLY  37   4.777   3.917  -9.531
  373   2HA   GLY  37          2HA       GLY  37   4.789   4.137 -11.289
  374    QA   GLY  37           QA       GLY  37   4.783   4.027 -10.410
  375    H    CYS  38           HN       CYS  38   2.308   5.228 -11.721
  376    HA   CYS  38           HA       CYS  38   2.354   7.831 -10.256
  377   1HB   CYS  38          2HB       CYS  38   1.005   8.615 -12.284
  378   2HB   CYS  38          3HB       CYS  38   2.750   8.470 -12.416
  379    QB   CYS  38           QB       CYS  38   1.877   8.542 -12.350
  380    H    ARG  39           HN       ARG  39   0.126   8.845 -10.130
  381    HA   ARG  39           HA       ARG  39  -1.887   8.838  -9.134
  382   1HB   ARG  39          2HB       ARG  39  -2.093   6.730 -11.228
  383   2HB   ARG  39          3HB       ARG  39  -3.333   6.599 -10.001
  384   1HG   ARG  39          2HG       ARG  39  -2.699   9.154 -11.498
  385   2HG   ARG  39          3HG       ARG  39  -3.947   7.985 -11.949
  386   1HD   ARG  39          2HD       ARG  39  -4.268   8.634  -9.129
  387   2HD   ARG  39          3HD       ARG  39  -4.135  10.142 -10.006
  388    HE   ARG  39           HE       ARG  39  -6.375   8.377  -9.920
  389   1HH1  ARG  39          2HH2      ARG  39  -4.645  10.436 -12.164
  390   2HH1  ARG  39          1HH2      ARG  39  -6.004  10.756 -13.200
  391   1HH2  ARG  39          2HH1      ARG  39  -8.213   8.699 -11.284
  392   2HH2  ARG  39          1HH1      ARG  39  -8.087   9.720 -12.674
  393    QB   ARG  39           QB       ARG  39  -2.713   6.664 -10.614
  394    QG   ARG  39           QG       ARG  39  -3.323   8.570 -11.724
  395    QD   ARG  39           QD       ARG  39  -4.202   9.388  -9.568
  396    QH1  ARG  39           QH2      ARG  39  -5.325  10.596 -12.682
  397    QH2  ARG  39           QH1      ARG  39  -8.150   9.210 -11.979
  398    H    ALA  40           HN       ALA  40   0.157   7.889  -7.537
  399    HA   ALA  40           HA       ALA  40  -0.479   5.511  -6.133
  400   1HB   ALA  40          3HB       ALA  40   1.730   6.783  -6.072
  401   2HB   ALA  40          1HB       ALA  40   0.944   7.883  -4.925
  402   3HB   ALA  40          2HB       ALA  40   1.110   6.154  -4.540
  403    QB   ALA  40           QB       ALA  40   1.261   6.940  -5.179
  404    H    LYS  41           HN       LYS  41  -1.304   5.295  -3.949
  405    HA   LYS  41           HA       LYS  41  -3.318   7.339  -3.140
  406   1HB   LYS  41          2HB       LYS  41  -3.433   4.316  -3.346
  407   2HB   LYS  41          3HB       LYS  41  -4.222   5.031  -1.973
  408   1HG   LYS  41          2HG       LYS  41  -5.961   5.085  -3.383
  409   2HG   LYS  41          3HG       LYS  41  -5.320   6.707  -3.601
  410   1HD   LYS  41          2HD       LYS  41  -3.839   5.391  -5.491
  411   2HD   LYS  41          3HD       LYS  41  -5.213   4.283  -5.328
  412   1HE   LYS  41          2HE       LYS  41  -6.707   6.390  -5.641
  413   2HE   LYS  41          3HE       LYS  41  -5.210   7.268  -6.029
  414   1HZ   LYS  41          1HZ       LYS  41  -4.847   5.717  -7.823
  415   2HZ   LYS  41          2HZ       LYS  41  -6.255   4.928  -7.462
  416   3HZ   LYS  41          3HZ       LYS  41  -6.314   6.471  -8.013
  417    QB   LYS  41           QB       LYS  41  -3.827   4.674  -2.659
  418    QG   LYS  41           QG       LYS  41  -5.641   5.896  -3.492
  419    QD   LYS  41           QD       LYS  41  -4.526   4.837  -5.409
  420    QE   LYS  41           QE       LYS  41  -5.958   6.829  -5.835
  421    QZ   LYS  41           QZ       LYS  41  -5.805   5.705  -7.766
  422    H    ARG  42           HN       ARG  42  -3.901   6.439  -0.676
  423    HA   ARG  42           HA       ARG  42  -1.583   7.600   0.753
  424   1HB   ARG  42          2HB       ARG  42  -4.476   7.039   1.430
  425   2HB   ARG  42          3HB       ARG  42  -3.293   7.462   2.677
  426   1HG   ARG  42          2HG       ARG  42  -3.349   9.253   0.281
  427   2HG   ARG  42          3HG       ARG  42  -4.769   9.315   1.327
  428   1HD   ARG  42          2HD       ARG  42  -1.948   9.500   2.445
  429   2HD   ARG  42          3HD       ARG  42  -2.780  10.932   1.881
  430    HE   ARG  42           HE       ARG  42  -3.352   9.293   4.263
  431   1HH1  ARG  42          2HH2      ARG  42  -4.622  11.781   2.114
  432   2HH1  ARG  42          1HH2      ARG  42  -5.744  12.447   3.261
  433   1HH2  ARG  42          2HH1      ARG  42  -4.844  10.173   5.832
  434   2HH2  ARG  42          1HH1      ARG  42  -5.916  11.456   5.391
  435    QB   ARG  42           QB       ARG  42  -3.885   7.251   2.054
  436    QG   ARG  42           QG       ARG  42  -4.059   9.284   0.804
  437    QD   ARG  42           QD       ARG  42  -2.364  10.216   2.163
  438    QH1  ARG  42           QH2      ARG  42  -5.183  12.114   2.687
  439    QH2  ARG  42           QH1      ARG  42  -5.380  10.815   5.612
  440    H    ASN  43           HN       ASN  43  -3.476   4.506   0.643
  441    HA   ASN  43           HA       ASN  43  -1.828   3.310   2.689
  442   1HB   ASN  43          2HB       ASN  43  -4.190   2.812   2.077
  443   2HB   ASN  43          3HB       ASN  43  -3.620   2.053   0.588
  444   1HD2  ASN  43          2HD2      ASN  43  -4.157  -0.791   2.868
  445   2HD2  ASN  43          1HD2      ASN  43  -4.864   0.141   1.551
  446    QB   ASN  43           QB       ASN  43  -3.905   2.432   1.333
  447    QD2  ASN  43           QD2      ASN  43  -4.511  -0.325   2.210
  448    H    ASN  44           HN       ASN  44   0.112   4.237   1.147
  449    HA   ASN  44           HA       ASN  44   1.242   1.902  -0.370
  450   1HB   ASN  44          2HB       ASN  44   0.781   4.716  -1.335
  451   2HB   ASN  44          3HB       ASN  44   2.310   3.934  -1.740
  452   1HD2  ASN  44          2HD2      ASN  44   0.968   2.398  -4.531
  453   2HD2  ASN  44          1HD2      ASN  44   2.299   3.272  -3.802
  454    QB   ASN  44           QB       ASN  44   1.546   4.325  -1.538
  455    QD2  ASN  44           QD2      ASN  44   1.633   2.835  -4.166
  456    H    PHE  45           HN       PHE  45   2.839   1.341   1.056
  457    HA   PHE  45           HA       PHE  45   4.657   3.499   2.070
  458   1HB   PHE  45          2HB       PHE  45   4.143   0.800   3.322
  459   2HB   PHE  45          3HB       PHE  45   4.928   2.197   4.049
  460    HD1  PHE  45          2HD       PHE  45   3.498   4.360   4.355
  461    HD2  PHE  45          1HD       PHE  45   1.800   0.486   3.549
  462    HE1  PHE  45          2HE       PHE  45   1.299   5.145   5.128
  463    HE2  PHE  45          1HE       PHE  45  -0.317   1.189   4.645
  464    HZ   PHE  45           HZ       PHE  45  -0.540   3.483   5.539
  465    QB   PHE  45           QB       PHE  45   4.536   1.498   3.685
  466    QR   PHE  45           QR       PHE  45   1.570   2.795   4.419
  467    H    LYS  46           HN       LYS  46   6.845   2.547   2.643
  468    HA   LYS  46           HA       LYS  46   7.838   0.881   0.381
  469   1HB   LYS  46          2HB       LYS  46   9.312   2.985   2.030
  470   2HB   LYS  46          3HB       LYS  46   9.860   2.117   0.584
  471   1HG   LYS  46          2HG       LYS  46   7.536   3.004  -0.347
  472   2HG   LYS  46          3HG       LYS  46   7.746   4.277   0.834
  473   1HD   LYS  46          2HD       LYS  46   9.831   3.577  -1.319
  474   2HD   LYS  46          3HD       LYS  46   8.556   4.774  -1.523
  475   1HE   LYS  46          2HE       LYS  46   9.935   6.328  -0.711
  476   2HE   LYS  46          3HE       LYS  46   9.663   5.617   0.880
  477   1HZ   LYS  46          1HZ       LYS  46  11.625   4.220   0.452
  478   2HZ   LYS  46          2HZ       LYS  46  11.889   5.032  -0.962
  479   3HZ   LYS  46          3HZ       LYS  46  11.959   5.829   0.469
  480    QB   LYS  46           QB       LYS  46   9.586   2.551   1.307
  481    QG   LYS  46           QG       LYS  46   7.641   3.640   0.244
  482    QD   LYS  46           QD       LYS  46   9.193   4.176  -1.421
  483    QE   LYS  46           QE       LYS  46   9.799   5.973   0.084
  484    QZ   LYS  46           QZ       LYS  46  11.824   5.027  -0.014
  485    H    SER  47           HN       SER  47   7.159   0.720   3.616
  486    HA   SER  47           HA       SER  47   8.542  -1.798   3.875
  487   1HB   SER  47          2HB       SER  47   9.857  -1.296   5.883
  488   2HB   SER  47          3HB       SER  47  10.409  -0.282   4.546
  489    HG   SER  47           HG       SER  47   9.178   1.426   5.426
  490    QB   SER  47           QB       SER  47  10.133  -0.789   5.214
  491    H    ALA  48           HN       ALA  48   7.868  -2.993   5.808
  492    HA   ALA  48           HA       ALA  48   5.184  -2.455   6.622
  493   1HB   ALA  48          1HB       ALA  48   6.032  -4.743   6.562
  494   2HB   ALA  48          2HB       ALA  48   7.171  -4.368   7.883
  495   3HB   ALA  48          3HB       ALA  48   5.422  -4.310   8.163
  496    QB   ALA  48           QB       ALA  48   6.208  -4.474   7.536
  497    H    GLU  49           HN       GLU  49   8.379  -1.784   8.131
  498    HA   GLU  49           HA       GLU  49   7.626  -0.835  10.648
  499   1HB   GLU  49          2HB       GLU  49   9.700   0.134   8.640
  500   2HB   GLU  49          3HB       GLU  49   9.562   0.825  10.252
  501   1HG   GLU  49          2HG       GLU  49   9.823  -2.180  10.033
  502   2HG   GLU  49          3HG       GLU  49  11.233  -1.173   9.704
  503    QB   GLU  49           QB       GLU  49   9.631   0.480   9.446
  504    QG   GLU  49           QG       GLU  49  10.528  -1.676   9.869
  505    H    ASP  50           HN       ASP  50   7.883   1.078   7.606
  506    HA   ASP  50           HA       ASP  50   6.884   3.457   8.815
  507   1HB   ASP  50          2HB       ASP  50   8.328   3.232   6.739
  508   2HB   ASP  50          3HB       ASP  50   6.847   2.838   5.841
  509    QB   ASP  50           QB       ASP  50   7.587   3.035   6.290
  510    H    CYS  51           HN       CYS  51   5.312   1.050   6.678
  511    HA   CYS  51           HA       CYS  51   2.685   1.996   6.625
  512   1HB   CYS  51          2HB       CYS  51   3.392   0.027   5.394
  513   2HB   CYS  51          3HB       CYS  51   3.725  -0.839   6.882
  514    QB   CYS  51           QB       CYS  51   3.558  -0.406   6.138
  515    H    MET  52           HN       MET  52   3.997  -0.194   9.188
  516    HA   MET  52           HA       MET  52   1.616   0.011  10.731
  517   1HB   MET  52          2HB       MET  52   4.183  -1.343  11.071
  518   2HB   MET  52          3HB       MET  52   3.695  -0.541  12.565
  519   1HG   MET  52          2HG       MET  52   1.430  -1.538  12.369
  520   2HG   MET  52          3HG       MET  52   1.982  -2.496  10.989
  521   1HE   MET  52          3HE       MET  52   4.666  -3.703  11.605
  522   2HE   MET  52          1HE       MET  52   4.321  -5.095  12.663
  523   3HE   MET  52          2HE       MET  52   3.279  -4.772  11.258
  524    QB   MET  52           QB       MET  52   3.939  -0.942  11.818
  525    QG   MET  52           QG       MET  52   1.706  -2.017  11.679
  526    QE   MET  52           QE       MET  52   4.089  -4.523  11.842
  527    H    ARG  53           HN       ARG  53   4.766   1.825  11.122
  528    HA   ARG  53           HA       ARG  53   3.846   3.315  13.349
  529   1HB   ARG  53          2HB       ARG  53   5.909   3.958  11.209
  530   2HB   ARG  53          3HB       ARG  53   5.413   5.147  12.420
  531   1HG   ARG  53          2HG       ARG  53   5.899   3.398  14.211
  532   2HG   ARG  53          3HG       ARG  53   6.727   2.464  12.962
  533   1HD   ARG  53          2HD       ARG  53   7.522   5.351  13.082
  534   2HD   ARG  53          3HD       ARG  53   7.806   4.517  14.593
  535    HE   ARG  53           HE       ARG  53   9.138   4.147  12.014
  536   1HH1  ARG  53          2HH2      ARG  53   8.535   2.608  15.164
  537   2HH1  ARG  53          1HH2      ARG  53  10.008   1.676  15.120
  538   1HH2  ARG  53          2HH1      ARG  53  11.083   2.965  12.023
  539   2HH2  ARG  53          1HH1      ARG  53  11.123   1.524  12.949
  540    QB   ARG  53           QB       ARG  53   5.661   4.552  11.814
  541    QG   ARG  53           QG       ARG  53   6.313   2.931  13.586
  542    QD   ARG  53           QD       ARG  53   7.664   4.934  13.838
  543    QH1  ARG  53           QH2      ARG  53   9.271   2.142  15.142
  544    QH2  ARG  53           QH1      ARG  53  11.103   2.244  12.486
  545    H    THR  54           HN       THR  54   3.271   3.929   9.890
  546    HA   THR  54           HA       THR  54   1.954   6.416  10.188
  547    HB   THR  54           HB       THR  54   1.732   4.216   8.095
  548    HG1  THR  54          1HG       THR  54   3.686   5.197   7.980
  549   1HG2  THR  54          2HG2      THR  54   0.230   6.809   8.383
  550   2HG2  THR  54          3HG2      THR  54   0.837   6.381   6.794
  551   3HG2  THR  54          1HG2      THR  54  -0.264   5.271   7.637
  552    QG2  THR  54           QG2      THR  54   0.267   6.154   7.605
  553    H    CYS  55           HN       CYS  55   0.596   3.067  10.336
  554    HA   CYS  55           HA       CYS  55  -2.107   4.264  10.776
  555   1HB   CYS  55          2HB       CYS  55  -1.219   1.472  10.040
  556   2HB   CYS  55          3HB       CYS  55  -2.854   1.888  10.544
  557    QB   CYS  55           QB       CYS  55  -2.036   1.680  10.292
  558    H    GLY  56           HN       GLY  56   0.010   1.858  12.351
  559   1HA   GLY  56          1HA       GLY  56   0.480   2.026  14.593
  560   2HA   GLY  56          2HA       GLY  56  -1.180   2.545  14.978
  561    QA   GLY  56           QA       GLY  56  -0.350   2.286  14.786
  562    H    GLY  57           HN       GLY  57  -2.735   0.984  15.338
  563   1HA   GLY  57          1HA       GLY  57  -1.934  -1.567  16.303
  564   2HA   GLY  57          2HA       GLY  57  -3.600  -1.076  15.924
  565    QA   GLY  57           QA       GLY  57  -2.767  -1.322  16.114
  566    H    ALA  58           HN       ALA  58  -2.603  -3.741  15.392
  567    HA   ALA  58           HA       ALA  58  -2.778  -4.011  12.514
  568   1HB   ALA  58          1HB       ALA  58  -0.265  -4.735  14.096
  569   2HB   ALA  58          2HB       ALA  58  -0.615  -5.298  12.454
  570   3HB   ALA  58          3HB       ALA  58  -0.372  -3.566  12.759
  571    QB   ALA  58           QB       ALA  58  -0.417  -4.533  13.103
   
  No H/Q in entry =         571
  Start of MODEL   18
    1    H    ARG   1           HN       ARG   1  -7.589   4.207  14.005
    2    HA   ARG   1           HA       ARG   1  -5.087   4.461  12.500
    3   1HB   ARG   1          2HB       ARG   1  -5.391   2.312  11.427
    4   2HB   ARG   1          3HB       ARG   1  -5.258   2.126  13.162
    5   1HG   ARG   1          2HG       ARG   1  -6.867   0.634  12.702
    6   2HG   ARG   1          3HG       ARG   1  -7.888   1.988  13.164
    7   1HD   ARG   1          2HD       ARG   1  -8.721   2.230  10.941
    8   2HD   ARG   1          3HD       ARG   1  -7.221   1.679  10.224
    9    HE   ARG   1           HE       ARG   1  -7.856  -0.447  10.221
   10   1HH1  ARG   1          2HH2      ARG   1 -10.145   1.304  12.239
   11   2HH1  ARG   1          1HH2      ARG   1 -11.092  -0.086  12.671
   12   1HH2  ARG   1          2HH1      ARG   1  -9.062  -2.333  10.791
   13   2HH2  ARG   1          1HH1      ARG   1 -10.460  -2.204  11.802
   14    QB   ARG   1           QB       ARG   1  -5.325   2.219  12.294
   15    QG   ARG   1           QG       ARG   1  -7.378   1.311  12.933
   16    QD   ARG   1           QD       ARG   1  -7.971   1.955  10.583
   17    QH1  ARG   1           QH2      ARG   1 -10.618   0.609  12.455
   18    QH2  ARG   1           QH1      ARG   1  -9.761  -2.268  11.296
   19    HA   PRO   2           HA       PRO   2  -8.097   6.507   9.978
   20   1HB   PRO   2          2HB       PRO   2  -6.815   6.674   7.543
   21   2HB   PRO   2          3HB       PRO   2  -6.442   7.698   8.944
   22   1HG   PRO   2          2HG       PRO   2  -4.904   5.343   7.888
   23   2HG   PRO   2          3HG       PRO   2  -4.305   6.783   8.735
   24   1HD   PRO   2          2HD       PRO   2  -4.679   4.291   9.940
   25   2HD   PRO   2          3HD       PRO   2  -4.594   5.861  10.791
   26    QB   PRO   2           QB       PRO   2  -6.628   7.186   8.244
   27    QG   PRO   2           QG       PRO   2  -4.604   6.063   8.312
   28    QD   PRO   2           QD       PRO   2  -4.636   5.076  10.365
   29    H    ASP   3           HN       ASP   3  -9.708   6.177   8.379
   30    HA   ASP   3           HA       ASP   3 -10.383   3.530   7.694
   31   1HB   ASP   3          2HB       ASP   3 -11.261   6.178   6.449
   32   2HB   ASP   3          3HB       ASP   3 -12.031   4.609   6.160
   33    QB   ASP   3           QB       ASP   3 -11.646   5.394   6.305
   34    H    PHE   4           HN       PHE   4  -8.373   5.918   5.972
   35    HA   PHE   4           HA       PHE   4  -8.518   4.526   3.474
   36   1HB   PHE   4          2HB       PHE   4  -6.758   5.785   2.681
   37   2HB   PHE   4          3HB       PHE   4  -7.701   6.868   3.698
   38    HD1  PHE   4          1HD       PHE   4  -4.592   4.800   3.471
   39    HD2  PHE   4          2HD       PHE   4  -6.530   8.117   5.419
   40    HE1  PHE   4          1HE       PHE   4  -2.614   5.087   4.931
   41    HE2  PHE   4          2HE       PHE   4  -4.478   8.518   6.751
   42    HZ   PHE   4           HZ       PHE   4  -2.636   6.851   6.695
   43    QB   PHE   4           QB       PHE   4  -7.229   6.327   3.189
   44    QR   PHE   4           QR       PHE   4  -4.553   6.630   5.143
   45    H    CYS   5           HN       CYS   5  -6.904   3.746   6.479
   46    HA   CYS   5           HA       CYS   5  -4.807   2.169   5.368
   47   1HB   CYS   5          2HB       CYS   5  -5.406   2.995   7.897
   48   2HB   CYS   5          3HB       CYS   5  -6.000   1.322   7.962
   49    QB   CYS   5           QB       CYS   5  -5.703   2.158   7.930
   50    H    LEU   6           HN       LEU   6  -8.224   1.682   5.271
   51    HA   LEU   6           HA       LEU   6  -7.900  -1.263   4.911
   52   1HB   LEU   6          2HB       LEU   6 -10.460   0.351   5.059
   53   2HB   LEU   6          3HB       LEU   6 -10.252  -1.399   5.068
   54    HG   LEU   6           HG       LEU   6  -8.665  -0.681   7.223
   55   1HD1  LEU   6          3HD1      LEU   6 -10.989   1.267   7.139
   56   2HD1  LEU   6          1HD1      LEU   6 -10.123   0.829   8.625
   57   3HD1  LEU   6          2HD1      LEU   6  -9.238   1.613   7.312
   58   1HD2  LEU   6          1HD2      LEU   6 -10.443  -2.470   7.134
   59   2HD2  LEU   6          2HD2      LEU   6 -10.414  -1.536   8.637
   60   3HD2  LEU   6          3HD2      LEU   6 -11.648  -1.197   7.405
   61    QB   LEU   6           QB       LEU   6 -10.356  -0.524   5.064
   62    QD1  LEU   6           QD1      LEU   6 -10.117   1.237   7.692
   63    QD2  LEU   6           QD2      LEU   6 -10.835  -1.735   7.725
   64    QQD  LEU   6           QQD      LEU   6 -10.476  -0.249   7.709
   65    H    GLU   7           HN       GLU   7  -7.536   1.484   2.953
   66    HA   GLU   7           HA       GLU   7  -9.309   0.776   0.871
   67   1HB   GLU   7          2HB       GLU   7  -8.368   2.486  -0.371
   68   2HB   GLU   7          3HB       GLU   7  -8.350   3.067   1.287
   69   1HG   GLU   7          2HG       GLU   7  -5.874   2.341   1.239
   70   2HG   GLU   7          3HG       GLU   7  -6.057   2.149  -0.501
   71    QB   GLU   7           QB       GLU   7  -8.359   2.777   0.458
   72    QG   GLU   7           QG       GLU   7  -5.965   2.245   0.369
   73    HA   PRO   8           HA       PRO   8  -7.080  -2.597  -0.818
   74   1HB   PRO   8          2HB       PRO   8  -8.005  -2.714  -3.429
   75   2HB   PRO   8          3HB       PRO   8  -8.999  -3.115  -1.997
   76   1HG   PRO   8          2HG       PRO   8  -8.841  -0.461  -3.457
   77   2HG   PRO   8          3HG       PRO   8 -10.315  -1.390  -3.041
   78   1HD   PRO   8          2HD       PRO   8  -9.457   0.640  -1.480
   79   2HD   PRO   8          3HD       PRO   8 -10.077  -0.861  -0.724
   80    QB   PRO   8           QB       PRO   8  -8.502  -2.914  -2.713
   81    QG   PRO   8           QG       PRO   8  -9.578  -0.925  -3.249
   82    QD   PRO   8           QD       PRO   8  -9.767  -0.111  -1.102
   83    HA   PRO   9           HA       PRO   9  -3.420  -1.048  -2.634
   84   1HB   PRO   9          2HB       PRO   9  -2.284  -3.228  -3.804
   85   2HB   PRO   9          3HB       PRO   9  -2.531  -3.089  -2.039
   86   1HG   PRO   9          2HG       PRO   9  -4.271  -4.504  -4.078
   87   2HG   PRO   9          3HG       PRO   9  -3.674  -5.142  -2.518
   88   1HD   PRO   9          2HD       PRO   9  -6.169  -4.074  -2.807
   89   2HD   PRO   9          3HD       PRO   9  -5.234  -3.844  -1.306
   90    QB   PRO   9           QB       PRO   9  -2.407  -3.159  -2.922
   91    QG   PRO   9           QG       PRO   9  -3.972  -4.823  -3.298
   92    QD   PRO   9           QD       PRO   9  -5.701  -3.959  -2.057
   93    H    TYR  10           HN       TYR  10  -4.050   0.473  -4.126
   94    HA   TYR  10           HA       TYR  10  -5.181  -0.172  -6.702
   95   1HB   TYR  10          2HB       TYR  10  -5.516   1.809  -5.022
   96   2HB   TYR  10          3HB       TYR  10  -4.119   2.508  -5.820
   97    HD1  TYR  10           HD2      TYR  10  -4.409   2.418  -8.575
   98    HD2  TYR  10           HD1      TYR  10  -7.551   2.674  -5.651
   99    HE1  TYR  10           HE2      TYR  10  -6.006   3.125 -10.348
  100    HE2  TYR  10           HE1      TYR  10  -9.081   3.568  -7.377
  101    HH   TYR  10           HH       TYR  10  -8.221   3.683 -10.832
  102    QB   TYR  10           QB       TYR  10  -4.818   2.159  -5.421
  103    QR   TYR  10           QR       TYR  10  -6.762   2.946  -7.988
  104    H    THR  11           HN       THR  11  -3.709  -1.084  -8.267
  105    HA   THR  11           HA       THR  11  -0.947  -0.418  -8.209
  106    HB   THR  11           HB       THR  11  -2.659  -1.928 -10.150
  107    HG1  THR  11          1HG       THR  11  -0.290  -2.597  -8.663
  108   1HG2  THR  11          3HG2      THR  11  -1.034  -0.797 -11.663
  109   2HG2  THR  11          1HG2      THR  11   0.291  -1.434 -10.653
  110   3HG2  THR  11          2HG2      THR  11  -0.772  -2.542 -11.516
  111    QG2  THR  11           QG2      THR  11  -0.505  -1.591 -11.277
  112    H    GLY  12           HN       GLY  12  -3.606   0.944 -10.059
  113   1HA   GLY  12          1HA       GLY  12  -3.683   3.166 -10.799
  114   2HA   GLY  12          2HA       GLY  12  -1.922   3.289 -10.801
  115    QA   GLY  12           QA       GLY  12  -2.803   3.227 -10.800
  116    HA   PRO  13           HA       PRO  13  -3.455   1.696 -15.066
  117   1HB   PRO  13          2HB       PRO  13  -4.456   3.830 -16.420
  118   2HB   PRO  13          3HB       PRO  13  -5.455   2.872 -15.296
  119   1HG   PRO  13          2HG       PRO  13  -4.030   5.477 -14.696
  120   2HG   PRO  13          3HG       PRO  13  -5.748   5.073 -14.402
  121   1HD   PRO  13          2HD       PRO  13  -3.856   4.840 -12.450
  122   2HD   PRO  13          3HD       PRO  13  -5.207   3.671 -12.593
  123    QB   PRO  13           QB       PRO  13  -4.956   3.351 -15.858
  124    QG   PRO  13           QG       PRO  13  -4.889   5.275 -14.549
  125    QD   PRO  13           QD       PRO  13  -4.531   4.256 -12.522
  126    H    CYS  14           HN       CYS  14  -1.009   1.786 -14.385
  127    HA   CYS  14           HA       CYS  14   0.423   3.678 -16.203
  128   1HB   CYS  14          2HB       CYS  14   1.109   3.067 -13.303
  129   2HB   CYS  14          3HB       CYS  14   2.130   3.973 -14.438
  130    QB   CYS  14           QB       CYS  14   1.619   3.520 -13.870
  131    H    LYS  15           HN       LYS  15   2.303   2.780 -17.141
  132    HA   LYS  15           HA       LYS  15   2.359  -0.204 -16.959
  133   1HB   LYS  15          2HB       LYS  15   3.322   1.593 -19.211
  134   2HB   LYS  15          3HB       LYS  15   3.532  -0.159 -19.082
  135   1HG   LYS  15          2HG       LYS  15   0.895  -0.147 -18.726
  136   2HG   LYS  15          3HG       LYS  15   0.997   1.386 -19.588
  137   1HD   LYS  15          2HD       LYS  15   2.025  -1.334 -20.559
  138   2HD   LYS  15          3HD       LYS  15   0.499  -0.571 -21.028
  139   1HE   LYS  15          2HE       LYS  15   1.816   1.353 -22.010
  140   2HE   LYS  15          3HE       LYS  15   3.306   0.454 -21.665
  141   1HZ   LYS  15          2HZ       LYS  15   2.486  -1.290 -23.132
  142   2HZ   LYS  15          3HZ       LYS  15   1.124  -0.421 -23.451
  143   3HZ   LYS  15          1HZ       LYS  15   2.591   0.151 -23.909
  144    QB   LYS  15           QB       LYS  15   3.427   0.717 -19.147
  145    QG   LYS  15           QG       LYS  15   0.946   0.619 -19.157
  146    QD   LYS  15           QD       LYS  15   1.262  -0.952 -20.794
  147    QE   LYS  15           QE       LYS  15   2.561   0.904 -21.837
  148    QZ   LYS  15           QZ       LYS  15   2.067  -0.520 -23.497
  149    H    ALA  16           HN       ALA  16   3.405   0.042 -14.910
  150    HA   ALA  16           HA       ALA  16   6.166  -0.597 -15.266
  151   1HB   ALA  16          2HB       ALA  16   5.389   1.911 -13.670
  152   2HB   ALA  16          3HB       ALA  16   6.927   1.064 -13.423
  153   3HB   ALA  16          1HB       ALA  16   6.564   1.816 -14.985
  154    QB   ALA  16           QB       ALA  16   6.293   1.597 -14.026
  155    H    ARG  17           HN       ARG  17   6.995  -1.126 -12.855
  156    HA   ARG  17           HA       ARG  17   4.839  -1.874 -11.074
  157   1HB   ARG  17          2HB       ARG  17   6.619  -4.028 -12.305
  158   2HB   ARG  17          3HB       ARG  17   6.013  -4.140 -10.722
  159   1HG   ARG  17          2HG       ARG  17   4.483  -5.294 -11.982
  160   2HG   ARG  17          3HG       ARG  17   3.688  -3.687 -11.844
  161   1HD   ARG  17          2HD       ARG  17   4.864  -3.388 -14.228
  162   2HD   ARG  17          3HD       ARG  17   4.948  -5.146 -14.108
  163    HE   ARG  17           HE       ARG  17   2.341  -3.873 -13.461
  164   1HH1  ARG  17          2HH2      ARG  17   4.332  -5.091 -15.961
  165   2HH1  ARG  17          1HH2      ARG  17   3.083  -5.822 -16.941
  166   1HH2  ARG  17          2HH1      ARG  17   0.521  -4.751 -14.670
  167   2HH2  ARG  17          1HH1      ARG  17   0.795  -5.512 -16.201
  168    QB   ARG  17           QB       ARG  17   6.316  -4.084 -11.513
  169    QG   ARG  17           QG       ARG  17   4.086  -4.491 -11.913
  170    QD   ARG  17           QD       ARG  17   4.906  -4.267 -14.168
  171    QH1  ARG  17           QH2      ARG  17   3.708  -5.456 -16.451
  172    QH2  ARG  17           QH1      ARG  17   0.658  -5.132 -15.436
  173    H    ILE  18           HN       ILE  18   5.483  -1.611  -9.048
  174    HA   ILE  18           HA       ILE  18   8.333  -1.387  -8.277
  175    HB   ILE  18           HB       ILE  18   6.131   0.634  -7.630
  176   1HG1  ILE  18          2HG1      ILE  18   8.258   0.739  -9.779
  177   2HG1  ILE  18          3HG1      ILE  18   6.497   0.897  -9.933
  178   1HG2  ILE  18          2HG2      ILE  18   7.933   0.392  -5.937
  179   2HG2  ILE  18          3HG2      ILE  18   9.142   0.756  -7.191
  180   3HG2  ILE  18          1HG2      ILE  18   7.948   1.982  -6.700
  181   1HD1  ILE  18          3HD1      ILE  18   6.642   3.029  -8.598
  182   2HD1  ILE  18          1HD1      ILE  18   8.414   2.933  -8.781
  183   3HD1  ILE  18          2HD1      ILE  18   7.380   3.056 -10.215
  184    QG1  ILE  18           QG1      ILE  18   7.378   0.818  -9.856
  185    QG2  ILE  18           QG2      ILE  18   8.341   1.043  -6.609
  186    QD1  ILE  18           QD1      ILE  18   7.479   3.006  -9.198
  187    H    ILE  19           HN       ILE  19   8.461  -2.842  -6.580
  188    HA   ILE  19           HA       ILE  19   6.227  -3.884  -5.192
  189    HB   ILE  19           HB       ILE  19   9.119  -3.709  -4.276
  190   1HG1  ILE  19          2HG1      ILE  19   8.910  -4.840  -6.487
  191   2HG1  ILE  19          3HG1      ILE  19   9.490  -5.882  -5.202
  192   1HG2  ILE  19          3HG2      ILE  19   6.796  -5.440  -3.329
  193   2HG2  ILE  19          1HG2      ILE  19   8.498  -5.764  -2.936
  194   3HG2  ILE  19          2HG2      ILE  19   7.732  -4.270  -2.384
  195   1HD1  ILE  19          3HD1      ILE  19   6.598  -5.865  -6.178
  196   2HD1  ILE  19          1HD1      ILE  19   7.858  -6.987  -6.716
  197   3HD1  ILE  19          2HD1      ILE  19   7.339  -7.002  -5.023
  198    QG1  ILE  19           QG1      ILE  19   9.200  -5.361  -5.844
  199    QG2  ILE  19           QG2      ILE  19   7.675  -5.158  -2.883
  200    QD1  ILE  19           QD1      ILE  19   7.265  -6.618  -5.972
  201    H    ARG  20           HN       ARG  20   4.972  -3.002  -3.669
  202    HA   ARG  20           HA       ARG  20   5.917  -0.761  -1.964
  203   1HB   ARG  20          2HB       ARG  20   3.467  -0.925  -3.768
  204   2HB   ARG  20          3HB       ARG  20   3.438   0.085  -2.329
  205   1HG   ARG  20          2HG       ARG  20   5.450   0.403  -4.606
  206   2HG   ARG  20          3HG       ARG  20   3.981   1.369  -4.328
  207   1HD   ARG  20          2HD       ARG  20   4.890   1.830  -2.011
  208   2HD   ARG  20          3HD       ARG  20   6.469   1.280  -2.597
  209    HE   ARG  20           HE       ARG  20   6.103   2.995  -4.477
  210   1HH1  ARG  20          2HH2      ARG  20   5.058   3.506  -1.108
  211   2HH1  ARG  20          1HH2      ARG  20   4.934   5.200  -1.234
  212   1HH2  ARG  20          2HH1      ARG  20   6.065   5.301  -4.629
  213   2HH2  ARG  20          1HH1      ARG  20   5.665   6.264  -3.246
  214    QB   ARG  20           QB       ARG  20   3.453  -0.420  -3.048
  215    QG   ARG  20           QG       ARG  20   4.715   0.886  -4.467
  216    QD   ARG  20           QD       ARG  20   5.680   1.555  -2.304
  217    QH1  ARG  20           QH2      ARG  20   4.996   4.353  -1.171
  218    QH2  ARG  20           QH1      ARG  20   5.865   5.783  -3.937
  219    H    TYR  21           HN       TYR  21   4.214  -0.453  -0.157
  220    HA   TYR  21           HA       TYR  21   3.063  -3.085   0.554
  221   1HB   TYR  21          2HB       TYR  21   4.272  -1.305   2.631
  222   2HB   TYR  21          3HB       TYR  21   3.794  -2.951   2.798
  223    HD1  TYR  21           HD1      TYR  21   6.341  -1.176   0.546
  224    HD2  TYR  21           HD2      TYR  21   5.621  -4.225   3.498
  225    HE1  TYR  21           HE1      TYR  21   8.451  -2.259  -0.079
  226    HE2  TYR  21           HE2      TYR  21   7.880  -5.130   3.067
  227    HH   TYR  21           HH       TYR  21   9.724  -5.088   1.679
  228    QB   TYR  21           QB       TYR  21   4.033  -2.128   2.714
  229    QR   TYR  21           QR       TYR  21   7.073  -3.197   1.758
  230    H    PHE  22           HN       PHE  22   1.520  -2.894   2.400
  231    HA   PHE  22           HA       PHE  22   0.018  -0.435   2.666
  232   1HB   PHE  22          2HB       PHE  22  -1.998  -1.059   1.649
  233   2HB   PHE  22          3HB       PHE  22  -0.835  -1.061   0.389
  234    HD1  PHE  22          2HD       PHE  22   0.328  -3.798   0.445
  235    HD2  PHE  22          1HD       PHE  22  -3.708  -2.534   1.322
  236    HE1  PHE  22          2HE       PHE  22  -0.512  -6.026  -0.194
  237    HE2  PHE  22          1HE       PHE  22  -4.530  -4.773   0.693
  238    HZ   PHE  22           HZ       PHE  22  -2.949  -6.500  -0.149
  239    QB   PHE  22           QB       PHE  22  -1.417  -1.060   1.019
  240    QR   PHE  22           QR       PHE  22  -2.105  -4.283   0.566
  241    H    TYR  23           HN       TYR  23  -1.623  -0.692   4.282
  242    HA   TYR  23           HA       TYR  23  -1.453  -3.113   5.960
  243   1HB   TYR  23          2HB       TYR  23  -1.825  -0.745   6.756
  244   2HB   TYR  23          3HB       TYR  23  -3.422  -0.836   6.032
  245    HD1  TYR  23           HD2      TYR  23  -4.966  -2.820   6.889
  246    HD2  TYR  23           HD1      TYR  23  -1.524  -1.301   8.989
  247    HE1  TYR  23           HE2      TYR  23  -5.923  -3.606   9.036
  248    HE2  TYR  23           HE1      TYR  23  -2.632  -1.788  11.133
  249    HH   TYR  23           HH       TYR  23  -5.585  -3.746  11.357
  250    QB   TYR  23           QB       TYR  23  -2.623  -0.790   6.394
  251    QR   TYR  23           QR       TYR  23  -3.761  -2.379   9.012
  252    H    ASN  24           HN       ASN  24  -2.588  -4.969   5.311
  253    HA   ASN  24           HA       ASN  24  -4.915  -4.581   3.434
  254   1HB   ASN  24          2HB       ASN  24  -3.226  -6.114   2.688
  255   2HB   ASN  24          3HB       ASN  24  -3.406  -7.128   4.126
  256   1HD2  ASN  24          2HD2      ASN  24  -5.458  -8.731   1.522
  257   2HD2  ASN  24          1HD2      ASN  24  -3.786  -8.604   2.033
  258    QB   ASN  24           QB       ASN  24  -3.316  -6.621   3.407
  259    QD2  ASN  24           QD2      ASN  24  -4.622  -8.668   1.777
  260    H    ALA  25           HN       ALA  25  -6.407  -3.881   5.129
  261    HA   ALA  25           HA       ALA  25  -6.852  -5.378   7.477
  262   1HB   ALA  25          2HB       ALA  25  -7.862  -3.154   7.006
  263   2HB   ALA  25          3HB       ALA  25  -8.883  -3.899   5.746
  264   3HB   ALA  25          1HB       ALA  25  -9.093  -4.365   7.454
  265    QB   ALA  25           QB       ALA  25  -8.613  -3.806   6.735
  266    H    LYS  26           HN       LYS  26  -7.194  -6.567   4.264
  267    HA   LYS  26           HA       LYS  26  -9.450  -8.347   5.030
  268   1HB   LYS  26          2HB       LYS  26  -9.027  -6.974   2.755
  269   2HB   LYS  26          3HB       LYS  26  -8.196  -8.453   2.303
  270   1HG   LYS  26          2HG       LYS  26 -10.135  -9.702   2.267
  271   2HG   LYS  26          3HG       LYS  26 -10.932  -8.794   3.544
  272   1HD   LYS  26          2HD       LYS  26 -10.549  -7.801   0.686
  273   2HD   LYS  26          3HD       LYS  26 -12.023  -8.459   1.391
  274   1HE   LYS  26          2HE       LYS  26 -12.610  -6.355   1.944
  275   2HE   LYS  26          3HE       LYS  26 -11.419  -6.476   3.242
  276   1HZ   LYS  26          2HZ       LYS  26  -9.800  -5.498   1.694
  277   2HZ   LYS  26          3HZ       LYS  26 -10.978  -5.334   0.557
  278   3HZ   LYS  26          1HZ       LYS  26 -11.076  -4.508   1.972
  279    QB   LYS  26           QB       LYS  26  -8.612  -7.714   2.529
  280    QG   LYS  26           QG       LYS  26 -10.534  -9.248   2.905
  281    QD   LYS  26           QD       LYS  26 -11.286  -8.130   1.039
  282    QE   LYS  26           QE       LYS  26 -12.014  -6.416   2.593
  283    QZ   LYS  26           QZ       LYS  26 -10.618  -5.113   1.408
  284    H    ALA  27           HN       ALA  27  -6.163  -8.287   5.441
  285    HA   ALA  27           HA       ALA  27  -6.002 -11.277   5.517
  286   1HB   ALA  27          2HB       ALA  27  -3.911  -9.275   4.613
  287   2HB   ALA  27          3HB       ALA  27  -3.651 -11.032   4.825
  288   3HB   ALA  27          1HB       ALA  27  -4.757 -10.438   3.575
  289    QB   ALA  27           QB       ALA  27  -4.107 -10.248   4.338
  290    H    GLY  28           HN       GLY  28  -4.887  -8.140   6.760
  291   1HA   GLY  28          1HA       GLY  28  -4.678  -7.765   9.143
  292   2HA   GLY  28          2HA       GLY  28  -3.892  -9.347   9.297
  293    QA   GLY  28           QA       GLY  28  -4.285  -8.556   9.220
  294    H    LEU  29           HN       LEU  29  -2.663  -6.971  10.078
  295    HA   LEU  29           HA       LEU  29  -0.817  -5.779   9.955
  296   1HB   LEU  29          2HB       LEU  29   1.227  -7.114   9.706
  297   2HB   LEU  29          3HB       LEU  29  -0.038  -7.834  10.676
  298    HG   LEU  29           HG       LEU  29  -0.642  -9.352   8.751
  299   1HD1  LEU  29          1HD1      LEU  29   0.406  -8.009   6.914
  300   2HD1  LEU  29          2HD1      LEU  29   2.003  -8.339   7.610
  301   3HD1  LEU  29          3HD1      LEU  29   1.011  -9.670   6.977
  302   1HD2  LEU  29          2HD2      LEU  29   2.176  -9.540   9.829
  303   2HD2  LEU  29          3HD2      LEU  29   0.690 -10.116  10.623
  304   3HD2  LEU  29          1HD2      LEU  29   1.223 -10.855   9.105
  305    QB   LEU  29           QB       LEU  29   0.595  -7.474  10.191
  306    QD1  LEU  29           QD1      LEU  29   1.140  -8.673   7.167
  307    QD2  LEU  29           QD2      LEU  29   1.363 -10.171   9.852
  308    QQD  LEU  29           QQD      LEU  29   1.251  -9.422   8.509
  309    H    CYS  30           HN       CYS  30   1.456  -5.530   8.476
  310    HA   CYS  30           HA       CYS  30   0.482  -4.134   6.032
  311   1HB   CYS  30          2HB       CYS  30   2.980  -4.015   7.710
  312   2HB   CYS  30          3HB       CYS  30   2.790  -3.143   6.188
  313    QB   CYS  30           QB       CYS  30   2.885  -3.579   6.949
  314    H    GLN  31           HN       GLN  31   0.790  -4.969   4.079
  315    HA   GLN  31           HA       GLN  31   2.729  -7.220   3.685
  316   1HB   GLN  31          2HB       GLN  31  -0.232  -7.033   3.184
  317   2HB   GLN  31          3HB       GLN  31   0.723  -7.870   1.965
  318   1HG   GLN  31          2HG       GLN  31   1.567  -9.473   3.444
  319   2HG   GLN  31          3HG       GLN  31   1.116  -8.545   4.875
  320   1HE2  GLN  31          2HE2      GLN  31  -2.121  -9.930   5.052
  321   2HE2  GLN  31          1HE2      GLN  31  -1.149  -8.651   5.678
  322    QB   GLN  31           QB       GLN  31   0.245  -7.451   2.574
  323    QG   GLN  31           QG       GLN  31   1.341  -9.009   4.160
  324    QE2  GLN  31           QE2      GLN  31  -1.635  -9.291   5.365
  325    H    THR  32           HN       THR  32   2.992  -7.654   1.337
  326    HA   THR  32           HA       THR  32   3.890  -5.121   0.146
  327    HB   THR  32           HB       THR  32   5.438  -6.534  -1.084
  328    HG1  THR  32          1HG       THR  32   4.161  -8.387  -1.418
  329   1HG2  THR  32          2HG2      THR  32   5.820  -6.008   1.406
  330   2HG2  THR  32          3HG2      THR  32   5.351  -7.686   1.739
  331   3HG2  THR  32          1HG2      THR  32   6.768  -7.348   0.724
  332    QG2  THR  32           QG2      THR  32   5.980  -7.014   1.290
  333    H    PHE  33           HN       PHE  33   3.594  -4.832  -2.254
  334    HA   PHE  33           HA       PHE  33   2.051  -6.740  -3.746
  335   1HB   PHE  33          2HB       PHE  33   0.135  -5.469  -4.261
  336   2HB   PHE  33          3HB       PHE  33   0.233  -5.435  -2.517
  337    HD1  PHE  33          2HD       PHE  33   1.489  -3.312  -1.478
  338    HD2  PHE  33          1HD       PHE  33  -0.171  -3.454  -5.455
  339    HE1  PHE  33          2HE       PHE  33   1.047  -0.868  -1.396
  340    HE2  PHE  33          1HE       PHE  33  -0.569  -1.023  -5.376
  341    HZ   PHE  33           HZ       PHE  33  -0.022   0.270  -3.307
  342    QB   PHE  33           QB       PHE  33   0.184  -5.452  -3.389
  343    QR   PHE  33           QR       PHE  33   0.449  -2.164  -3.426
  344    H    VAL  34           HN       VAL  34   1.686  -5.760  -6.035
  345    HA   VAL  34           HA       VAL  34   4.130  -4.291  -6.917
  346    HB   VAL  34           HB       VAL  34   1.907  -5.797  -8.377
  347   1HG1  VAL  34          2HG1      VAL  34   2.779  -3.914  -9.826
  348   2HG1  VAL  34          3HG1      VAL  34   4.407  -4.503  -9.524
  349   3HG1  VAL  34          1HG1      VAL  34   3.228  -5.513 -10.396
  350   1HG2  VAL  34          3HG2      VAL  34   4.371  -6.691  -7.121
  351   2HG2  VAL  34          1HG2      VAL  34   3.131  -7.632  -7.967
  352   3HG2  VAL  34          2HG2      VAL  34   4.482  -6.924  -8.870
  353    QG1  VAL  34           QG1      VAL  34   3.472  -4.643  -9.915
  354    QG2  VAL  34           QG2      VAL  34   3.995  -7.082  -7.986
  355    QQG  VAL  34           QQG      VAL  34   3.733  -5.863  -8.951
  356    H    TYR  35           HN       TYR  35   3.849  -2.104  -6.906
  357    HA   TYR  35           HA       TYR  35   1.176  -0.924  -7.523
  358   1HB   TYR  35          2HB       TYR  35   2.122  -0.106  -5.468
  359   2HB   TYR  35          3HB       TYR  35   3.721   0.043  -6.208
  360    HD1  TYR  35           HD1      TYR  35   0.222   1.318  -6.662
  361    HD2  TYR  35           HD2      TYR  35   4.442   2.126  -6.945
  362    HE1  TYR  35           HE1      TYR  35  -0.259   3.642  -7.427
  363    HE2  TYR  35           HE2      TYR  35   3.930   4.488  -7.584
  364    HH   TYR  35           HH       TYR  35   0.727   5.300  -8.729
  365    QB   TYR  35           QB       TYR  35   2.921  -0.032  -5.838
  366    QR   TYR  35           QR       TYR  35   2.084   2.894  -7.155
  367    H    GLY  36           HN       GLY  36   1.000   0.335  -9.348
  368   1HA   GLY  36          1HA       GLY  36   2.524  -0.340 -11.572
  369   2HA   GLY  36          2HA       GLY  36   1.377   0.994 -11.505
  370    QA   GLY  36           QA       GLY  36   1.951   0.327 -11.538
  371    H    GLY  37           HN       GLY  37   2.238   3.034 -10.290
  372   1HA   GLY  37          1HA       GLY  37   4.887   3.625  -9.890
  373   2HA   GLY  37          2HA       GLY  37   4.727   3.791 -11.644
  374    QA   GLY  37           QA       GLY  37   4.807   3.708 -10.767
  375    H    CYS  38           HN       CYS  38   2.069   4.848 -11.710
  376    HA   CYS  38           HA       CYS  38   2.430   7.509 -10.404
  377   1HB   CYS  38          2HB       CYS  38   1.207   8.436 -12.402
  378   2HB   CYS  38          3HB       CYS  38   2.913   8.079 -12.557
  379    QB   CYS  38           QB       CYS  38   2.060   8.258 -12.479
  380    H    ARG  39           HN       ARG  39   0.420   8.751 -10.220
  381    HA   ARG  39           HA       ARG  39  -1.477   9.007  -9.032
  382   1HB   ARG  39          2HB       ARG  39  -2.467   6.639 -10.680
  383   2HB   ARG  39          3HB       ARG  39  -3.451   7.627  -9.606
  384   1HG   ARG  39          2HG       ARG  39  -3.885   8.368 -11.733
  385   2HG   ARG  39          3HG       ARG  39  -2.978   9.653 -10.934
  386   1HD   ARG  39          2HD       ARG  39  -1.110   9.359 -12.319
  387   2HD   ARG  39          3HD       ARG  39  -1.491   7.640 -12.624
  388    HE   ARG  39           HE       ARG  39  -3.518   9.403 -13.672
  389   1HH1  ARG  39          2HH2      ARG  39  -0.242   8.221 -14.462
  390   2HH1  ARG  39          1HH2      ARG  39  -0.559   8.128 -16.153
  391   1HH2  ARG  39          2HH1      ARG  39  -3.951   9.149 -15.913
  392   2HH2  ARG  39          1HH1      ARG  39  -2.689   8.666 -16.998
  393    QB   ARG  39           QB       ARG  39  -2.959   7.133 -10.143
  394    QG   ARG  39           QG       ARG  39  -3.432   9.011 -11.334
  395    QD   ARG  39           QD       ARG  39  -1.301   8.499 -12.471
  396    QH1  ARG  39           QH2      ARG  39  -0.401   8.175 -15.308
  397    QH2  ARG  39           QH1      ARG  39  -3.320   8.907 -16.455
  398    H    ALA  40           HN       ALA  40   0.391   7.967  -7.450
  399    HA   ALA  40           HA       ALA  40  -0.303   5.501  -6.184
  400   1HB   ALA  40          1HB       ALA  40   1.924   6.509  -6.009
  401   2HB   ALA  40          2HB       ALA  40   1.236   7.845  -5.058
  402   3HB   ALA  40          3HB       ALA  40   1.207   6.178  -4.425
  403    QB   ALA  40           QB       ALA  40   1.455   6.844  -5.164
  404    H    LYS  41           HN       LYS  41  -0.979   5.379  -3.841
  405    HA   LYS  41           HA       LYS  41  -3.088   7.350  -3.120
  406   1HB   LYS  41          2HB       LYS  41  -3.191   4.329  -3.356
  407   2HB   LYS  41          3HB       LYS  41  -4.032   5.017  -2.000
  408   1HG   LYS  41          2HG       LYS  41  -5.711   5.089  -3.460
  409   2HG   LYS  41          3HG       LYS  41  -5.085   6.724  -3.619
  410   1HD   LYS  41          2HD       LYS  41  -3.512   5.324  -5.463
  411   2HD   LYS  41          3HD       LYS  41  -5.010   4.395  -5.391
  412   1HE   LYS  41          2HE       LYS  41  -6.294   6.435  -5.968
  413   2HE   LYS  41          3HE       LYS  41  -4.796   7.393  -5.903
  414   1HZ   LYS  41          2HZ       LYS  41  -5.293   5.203  -7.818
  415   2HZ   LYS  41          3HZ       LYS  41  -5.347   6.813  -8.168
  416   3HZ   LYS  41          1HZ       LYS  41  -3.922   6.117  -7.712
  417    QB   LYS  41           QB       LYS  41  -3.612   4.673  -2.678
  418    QG   LYS  41           QG       LYS  41  -5.398   5.906  -3.539
  419    QD   LYS  41           QD       LYS  41  -4.261   4.859  -5.427
  420    QE   LYS  41           QE       LYS  41  -5.545   6.914  -5.936
  421    QZ   LYS  41           QZ       LYS  41  -4.854   6.045  -7.899
  422    H    ARG  42           HN       ARG  42  -3.730   6.430  -0.685
  423    HA   ARG  42           HA       ARG  42  -1.494   7.631   0.796
  424   1HB   ARG  42          2HB       ARG  42  -4.370   6.905   1.472
  425   2HB   ARG  42          3HB       ARG  42  -3.220   7.533   2.668
  426   1HG   ARG  42          2HG       ARG  42  -2.836   9.533   1.434
  427   2HG   ARG  42          3HG       ARG  42  -3.745   8.984   0.033
  428   1HD   ARG  42          2HD       ARG  42  -5.053   9.353   2.757
  429   2HD   ARG  42          3HD       ARG  42  -4.842  10.670   1.577
  430    HE   ARG  42           HE       ARG  42  -6.083   8.272   0.457
  431   1HH1  ARG  42          2HH2      ARG  42  -6.783  11.191   2.299
  432   2HH1  ARG  42          1HH2      ARG  42  -8.341  11.481   1.591
  433   1HH2  ARG  42          2HH1      ARG  42  -8.162   8.608  -0.516
  434   2HH2  ARG  42          1HH1      ARG  42  -9.144   9.959  -0.050
  435    QB   ARG  42           QB       ARG  42  -3.795   7.219   2.070
  436    QG   ARG  42           QG       ARG  42  -3.291   9.259   0.733
  437    QD   ARG  42           QD       ARG  42  -4.948  10.011   2.167
  438    QH1  ARG  42           QH2      ARG  42  -7.562  11.336   1.945
  439    QH2  ARG  42           QH1      ARG  42  -8.653   9.283  -0.283
  440    H    ASN  43           HN       ASN  43  -3.355   4.556   0.834
  441    HA   ASN  43           HA       ASN  43  -1.656   3.318   2.822
  442   1HB   ASN  43          2HB       ASN  43  -4.077   2.923   2.340
  443   2HB   ASN  43          3HB       ASN  43  -3.613   2.127   0.828
  444   1HD2  ASN  43          2HD2      ASN  43  -4.244  -0.679   3.065
  445   2HD2  ASN  43          1HD2      ASN  43  -4.950   0.361   1.819
  446    QB   ASN  43           QB       ASN  43  -3.845   2.525   1.584
  447    QD2  ASN  43           QD2      ASN  43  -4.597  -0.159   2.442
  448    H    ASN  44           HN       ASN  44   0.238   4.182   1.190
  449    HA   ASN  44           HA       ASN  44   1.221   1.887  -0.493
  450   1HB   ASN  44          2HB       ASN  44   0.793   4.765  -1.288
  451   2HB   ASN  44          3HB       ASN  44   2.160   3.882  -1.953
  452   1HD2  ASN  44          2HD2      ASN  44   0.330   2.416  -4.485
  453   2HD2  ASN  44          1HD2      ASN  44   1.870   3.012  -3.904
  454    QB   ASN  44           QB       ASN  44   1.476   4.324  -1.621
  455    QD2  ASN  44           QD2      ASN  44   1.100   2.714  -4.194
  456    H    PHE  45           HN       PHE  45   2.635   1.399   1.299
  457    HA   PHE  45           HA       PHE  45   4.630   3.499   2.040
  458   1HB   PHE  45          2HB       PHE  45   4.218   0.832   3.378
  459   2HB   PHE  45          3HB       PHE  45   4.989   2.281   4.019
  460    HD1  PHE  45          2HD       PHE  45   3.559   4.396   4.355
  461    HD2  PHE  45          1HD       PHE  45   1.849   0.516   3.599
  462    HE1  PHE  45          2HE       PHE  45   1.374   5.206   5.111
  463    HE2  PHE  45          1HE       PHE  45  -0.276   1.257   4.644
  464    HZ   PHE  45           HZ       PHE  45  -0.532   3.600   5.421
  465    QB   PHE  45           QB       PHE  45   4.603   1.556   3.699
  466    QR   PHE  45           QR       PHE  45   1.626   2.844   4.427
  467    H    LYS  46           HN       LYS  46   6.863   2.494   2.594
  468    HA   LYS  46           HA       LYS  46   7.790   0.832   0.280
  469   1HB   LYS  46          2HB       LYS  46   9.309   2.846   1.999
  470   2HB   LYS  46          3HB       LYS  46   9.895   1.946   0.591
  471   1HG   LYS  46          2HG       LYS  46   7.595   3.021  -0.395
  472   2HG   LYS  46          3HG       LYS  46   8.032   4.273   0.755
  473   1HD   LYS  46          2HD       LYS  46   9.815   3.077  -1.459
  474   2HD   LYS  46          3HD       LYS  46   8.939   4.584  -1.668
  475   1HE   LYS  46          2HE       LYS  46  11.071   4.143   0.495
  476   2HE   LYS  46          3HE       LYS  46  11.432   4.756  -1.122
  477   1HZ   LYS  46          2HZ       LYS  46  10.007   6.620  -0.711
  478   2HZ   LYS  46          3HZ       LYS  46   9.629   6.069   0.798
  479   3HZ   LYS  46          1HZ       LYS  46  11.168   6.524   0.444
  480    QB   LYS  46           QB       LYS  46   9.602   2.396   1.295
  481    QG   LYS  46           QG       LYS  46   7.813   3.647   0.180
  482    QD   LYS  46           QD       LYS  46   9.377   3.831  -1.563
  483    QE   LYS  46           QE       LYS  46  11.251   4.449  -0.313
  484    QZ   LYS  46           QZ       LYS  46  10.268   6.404   0.177
  485    H    SER  47           HN       SER  47   7.212   0.755   3.567
  486    HA   SER  47           HA       SER  47   8.485  -1.860   3.805
  487   1HB   SER  47          2HB       SER  47   9.851  -1.304   5.772
  488   2HB   SER  47          3HB       SER  47  10.366  -0.344   4.376
  489    HG   SER  47           HG       SER  47  10.141   1.062   6.087
  490    QB   SER  47           QB       SER  47  10.108  -0.824   5.074
  491    H    ALA  48           HN       ALA  48   7.831  -2.981   5.759
  492    HA   ALA  48           HA       ALA  48   5.172  -2.442   6.633
  493   1HB   ALA  48          2HB       ALA  48   6.111  -4.706   6.647
  494   2HB   ALA  48          3HB       ALA  48   7.280  -4.231   7.903
  495   3HB   ALA  48          1HB       ALA  48   5.542  -4.230   8.256
  496    QB   ALA  48           QB       ALA  48   6.311  -4.389   7.602
  497    H    GLU  49           HN       GLU  49   8.386  -1.701   8.013
  498    HA   GLU  49           HA       GLU  49   7.843  -0.577  10.471
  499   1HB   GLU  49          2HB       GLU  49   9.658   0.218   8.161
  500   2HB   GLU  49          3HB       GLU  49   9.674   1.150   9.645
  501   1HG   GLU  49          2HG       GLU  49  10.087  -1.877   9.583
  502   2HG   GLU  49          3HG       GLU  49  11.409  -0.698   9.401
  503    QB   GLU  49           QB       GLU  49   9.666   0.684   8.903
  504    QG   GLU  49           QG       GLU  49  10.748  -1.287   9.492
  505    H    ASP  50           HN       ASP  50   7.805   1.200   7.369
  506    HA   ASP  50           HA       ASP  50   6.864   3.647   8.480
  507   1HB   ASP  50          2HB       ASP  50   8.196   3.463   6.426
  508   2HB   ASP  50          3HB       ASP  50   6.900   2.559   5.625
  509    QB   ASP  50           QB       ASP  50   7.548   3.011   6.026
  510    H    CYS  51           HN       CYS  51   5.232   1.088   6.622
  511    HA   CYS  51           HA       CYS  51   2.585   2.017   6.633
  512   1HB   CYS  51          2HB       CYS  51   3.363   0.016   5.442
  513   2HB   CYS  51          3HB       CYS  51   3.655  -0.805   6.956
  514    QB   CYS  51           QB       CYS  51   3.509  -0.395   6.199
  515    H    MET  52           HN       MET  52   4.044  -0.083   9.150
  516    HA   MET  52           HA       MET  52   1.842  -0.110  10.913
  517   1HB   MET  52          2HB       MET  52   4.845  -0.483  11.298
  518   2HB   MET  52          3HB       MET  52   3.694  -0.627  12.640
  519   1HG   MET  52          2HG       MET  52   2.520  -2.399  11.613
  520   2HG   MET  52          3HG       MET  52   3.360  -2.202  10.072
  521   1HE   MET  52          1HE       MET  52   3.588  -4.793   9.972
  522   2HE   MET  52          2HE       MET  52   4.381  -5.769  11.231
  523   3HE   MET  52          3HE       MET  52   2.829  -4.964  11.570
  524    QB   MET  52           QB       MET  52   4.270  -0.555  11.969
  525    QG   MET  52           QG       MET  52   2.940  -2.301  10.842
  526    QE   MET  52           QE       MET  52   3.599  -5.175  10.924
  527    H    ARG  53           HN       ARG  53   4.789   2.003  10.989
  528    HA   ARG  53           HA       ARG  53   3.894   3.517  13.210
  529   1HB   ARG  53          2HB       ARG  53   5.970   3.891  11.086
  530   2HB   ARG  53          3HB       ARG  53   5.314   5.377  11.763
  531   1HG   ARG  53          2HG       ARG  53   7.142   4.889  13.103
  532   2HG   ARG  53          3HG       ARG  53   5.714   4.531  14.061
  533   1HD   ARG  53          2HD       ARG  53   6.804   2.579  14.569
  534   2HD   ARG  53          3HD       ARG  53   6.164   2.035  13.035
  535    HE   ARG  53           HE       ARG  53   8.311   1.828  12.265
  536   1HH1  ARG  53          2HH2      ARG  53   8.309   4.266  14.807
  537   2HH1  ARG  53          1HH2      ARG  53  10.039   4.462  14.843
  538   1HH2  ARG  53          2HH1      ARG  53  10.573   1.910  12.440
  539   2HH2  ARG  53          1HH1      ARG  53  11.360   3.220  13.311
  540    QB   ARG  53           QB       ARG  53   5.642   4.634  11.424
  541    QG   ARG  53           QG       ARG  53   6.428   4.710  13.582
  542    QD   ARG  53           QD       ARG  53   6.484   2.307  13.802
  543    QH1  ARG  53           QH2      ARG  53   9.174   4.364  14.825
  544    QH2  ARG  53           QH1      ARG  53  10.967   2.565  12.876
  545    H    THR  54           HN       THR  54   3.150   3.967   9.742
  546    HA   THR  54           HA       THR  54   1.658   6.377  10.116
  547    HB   THR  54           HB       THR  54   1.430   4.230   7.957
  548    HG1  THR  54          1HG       THR  54   3.441   5.135   7.972
  549   1HG2  THR  54          3HG2      THR  54   0.181   6.971   8.296
  550   2HG2  THR  54          1HG2      THR  54   0.563   6.371   6.687
  551   3HG2  THR  54          2HG2      THR  54  -0.553   5.454   7.713
  552    QG2  THR  54           QG2      THR  54   0.063   6.265   7.566
  553    H    CYS  55           HN       CYS  55   0.624   2.924  10.072
  554    HA   CYS  55           HA       CYS  55  -2.165   3.740  10.193
  555   1HB   CYS  55          2HB       CYS  55  -1.167   1.746   8.919
  556   2HB   CYS  55          3HB       CYS  55  -1.132   0.919  10.475
  557    QB   CYS  55           QB       CYS  55  -1.150   1.333   9.697
  558    H    GLY  56           HN       GLY  56   0.064   2.020  12.412
  559   1HA   GLY  56          1HA       GLY  56  -0.423   2.895  14.789
  560   2HA   GLY  56          2HA       GLY  56  -1.943   1.999  14.611
  561    QA   GLY  56           QA       GLY  56  -1.183   2.447  14.700
  562    H    GLY  57           HN       GLY  57  -1.918  -0.215  14.875
  563   1HA   GLY  57          1HA       GLY  57   0.463  -1.270  16.210
  564   2HA   GLY  57          2HA       GLY  57  -1.148  -1.979  16.150
  565    QA   GLY  57           QA       GLY  57  -0.342  -1.625  16.180
  566    H    ALA  58           HN       ALA  58  -1.624  -2.291  13.452
  567    HA   ALA  58           HA       ALA  58   0.190  -4.579  12.919
  568   1HB   ALA  58          1HB       ALA  58  -2.585  -4.451  13.025
  569   2HB   ALA  58          2HB       ALA  58  -2.248  -4.350  11.288
  570   3HB   ALA  58          3HB       ALA  58  -1.620  -5.704  12.230
  571    QB   ALA  58           QB       ALA  58  -2.151  -4.835  12.181
   
  No H/Q in entry =         571
  Start of MODEL   19
    1    H    ARG   1           HN       ARG   1  -5.716   6.688  13.494
    2    HA   ARG   1           HA       ARG   1  -4.578   5.191  12.050
    3   1HB   ARG   1          2HB       ARG   1  -5.460   3.228  13.482
    4   2HB   ARG   1          3HB       ARG   1  -6.875   3.220  12.434
    5   1HG   ARG   1          2HG       ARG   1  -4.224   3.200  11.045
    6   2HG   ARG   1          3HG       ARG   1  -4.465   1.860  12.123
    7   1HD   ARG   1          2HD       ARG   1  -6.178   2.608   9.720
    8   2HD   ARG   1          3HD       ARG   1  -5.140   1.201   9.853
    9    HE   ARG   1           HE       ARG   1  -7.846   1.426  10.597
   10   1HH1  ARG   1          2HH2      ARG   1  -4.865  -0.033  11.779
   11   2HH1  ARG   1          1HH2      ARG   1  -5.642  -1.204  12.801
   12   1HH2  ARG   1          2HH1      ARG   1  -8.923  -0.167  11.878
   13   2HH2  ARG   1          1HH1      ARG   1  -8.008  -1.335  12.775
   14    QB   ARG   1           QB       ARG   1  -6.167   3.224  12.958
   15    QG   ARG   1           QG       ARG   1  -4.344   2.530  11.584
   16    QD   ARG   1           QD       ARG   1  -5.659   1.904   9.786
   17    QH1  ARG   1           QH2      ARG   1  -5.253  -0.619  12.290
   18    QH2  ARG   1           QH1      ARG   1  -8.465  -0.751  12.327
   19    HA   PRO   2           HA       PRO   2  -7.593   7.142   9.325
   20   1HB   PRO   2          2HB       PRO   2  -6.396   6.519   6.855
   21   2HB   PRO   2          3HB       PRO   2  -6.077   7.957   7.857
   22   1HG   PRO   2          2HG       PRO   2  -4.317   5.661   7.379
   23   2HG   PRO   2          3HG       PRO   2  -3.952   7.187   8.197
   24   1HD   PRO   2          2HD       PRO   2  -4.470   4.634   9.402
   25   2HD   PRO   2          3HD       PRO   2  -4.053   6.188  10.183
   26    QB   PRO   2           QB       PRO   2  -6.237   7.238   7.356
   27    QG   PRO   2           QG       PRO   2  -4.135   6.424   7.788
   28    QD   PRO   2           QD       PRO   2  -4.262   5.411   9.792
   29    H    ASP   3           HN       ASP   3  -9.062   6.661   7.405
   30    HA   ASP   3           HA       ASP   3 -10.126   3.988   7.448
   31   1HB   ASP   3          2HB       ASP   3 -11.829   5.008   6.006
   32   2HB   ASP   3          3HB       ASP   3 -11.540   6.105   7.364
   33    QB   ASP   3           QB       ASP   3 -11.685   5.557   6.685
   34    H    PHE   4           HN       PHE   4  -8.461   6.214   5.249
   35    HA   PHE   4           HA       PHE   4  -8.445   4.618   2.980
   36   1HB   PHE   4          2HB       PHE   4  -6.661   5.814   2.134
   37   2HB   PHE   4          3HB       PHE   4  -7.528   6.934   3.174
   38    HD1  PHE   4          1HD       PHE   4  -4.480   4.740   3.015
   39    HD2  PHE   4          2HD       PHE   4  -6.324   8.166   4.835
   40    HE1  PHE   4          1HE       PHE   4  -2.404   5.159   4.303
   41    HE2  PHE   4          2HE       PHE   4  -4.175   8.723   5.926
   42    HZ   PHE   4           HZ       PHE   4  -2.273   7.128   5.808
   43    QB   PHE   4           QB       PHE   4  -7.095   6.374   2.654
   44    QR   PHE   4           QR       PHE   4  -4.346   6.697   4.520
   45    H    CYS   5           HN       CYS   5  -6.575   4.154   5.923
   46    HA   CYS   5           HA       CYS   5  -4.482   2.616   4.863
   47   1HB   CYS   5          2HB       CYS   5  -4.913   3.465   7.303
   48   2HB   CYS   5          3HB       CYS   5  -5.654   1.871   7.529
   49    QB   CYS   5           QB       CYS   5  -5.283   2.668   7.416
   50    H    LEU   6           HN       LEU   6  -7.885   1.840   5.148
   51    HA   LEU   6           HA       LEU   6  -7.368  -1.054   4.845
   52   1HB   LEU   6          2HB       LEU   6 -10.016   0.376   5.092
   53   2HB   LEU   6          3HB       LEU   6  -9.649  -1.323   5.356
   54    HG   LEU   6           HG       LEU   6  -7.934  -0.032   7.196
   55   1HD1  LEU   6          2HD1      LEU   6 -10.432   1.609   6.956
   56   2HD1  LEU   6          3HD1      LEU   6  -9.638   1.372   8.523
   57   3HD1  LEU   6          1HD1      LEU   6  -8.720   2.079   7.209
   58   1HD2  LEU   6          2HD2      LEU   6  -9.309  -2.066   7.648
   59   2HD2  LEU   6          3HD2      LEU   6  -9.330  -0.876   8.941
   60   3HD2  LEU   6          1HD2      LEU   6 -10.727  -1.014   7.848
   61    QB   LEU   6           QB       LEU   6  -9.832  -0.473   5.224
   62    QD1  LEU   6           QD1      LEU   6  -9.597   1.686   7.563
   63    QD2  LEU   6           QD2      LEU   6  -9.788  -1.319   8.146
   64    QQD  LEU   6           QQD      LEU   6  -9.693   0.184   7.854
   65    H    GLU   7           HN       GLU   7  -7.002   1.313   2.674
   66    HA   GLU   7           HA       GLU   7  -8.774   0.709   0.545
   67   1HB   GLU   7          2HB       GLU   7  -6.091   2.072   0.758
   68   2HB   GLU   7          3HB       GLU   7  -6.706   1.725  -0.842
   69   1HG   GLU   7          2HG       GLU   7  -8.377   3.199   1.129
   70   2HG   GLU   7          3HG       GLU   7  -7.147   4.058   0.214
   71    QB   GLU   7           QB       GLU   7  -6.398   1.899  -0.042
   72    QG   GLU   7           QG       GLU   7  -7.762   3.628   0.671
   73    HA   PRO   8           HA       PRO   8  -6.833  -2.893  -1.164
   74   1HB   PRO   8          2HB       PRO   8  -7.649  -2.780  -3.811
   75   2HB   PRO   8          3HB       PRO   8  -8.712  -3.198  -2.441
   76   1HG   PRO   8          2HG       PRO   8  -8.425  -0.546  -3.853
   77   2HG   PRO   8          3HG       PRO   8  -9.917  -1.351  -3.286
   78   1HD   PRO   8          2HD       PRO   8  -8.621   0.663  -1.909
   79   2HD   PRO   8          3HD       PRO   8  -9.607  -0.595  -1.111
   80    QB   PRO   8           QB       PRO   8  -8.181  -2.989  -3.126
   81    QG   PRO   8           QG       PRO   8  -9.171  -0.949  -3.569
   82    QD   PRO   8           QD       PRO   8  -9.114   0.034  -1.510
   83    HA   PRO   9           HA       PRO   9  -2.997  -1.640  -3.059
   84   1HB   PRO   9          2HB       PRO   9  -2.056  -4.015  -4.017
   85   2HB   PRO   9          3HB       PRO   9  -2.236  -3.665  -2.273
   86   1HG   PRO   9          2HG       PRO   9  -4.085  -5.213  -4.100
   87   2HG   PRO   9          3HG       PRO   9  -3.520  -5.658  -2.462
   88   1HD   PRO   9          2HD       PRO   9  -5.955  -4.459  -2.963
   89   2HD   PRO   9          3HD       PRO   9  -5.045  -4.206  -1.452
   90    QB   PRO   9           QB       PRO   9  -2.146  -3.840  -3.145
   91    QG   PRO   9           QG       PRO   9  -3.802  -5.436  -3.281
   92    QD   PRO   9           QD       PRO   9  -5.500  -4.332  -2.208
   93    H    TYR  10           HN       TYR  10  -4.133  -0.283  -4.583
   94    HA   TYR  10           HA       TYR  10  -4.798  -1.256  -7.239
   95   1HB   TYR  10          2HB       TYR  10  -5.934   0.616  -6.001
   96   2HB   TYR  10          3HB       TYR  10  -4.446   1.553  -6.157
   97    HD1  TYR  10           HD1      TYR  10  -6.596  -0.489  -8.495
   98    HD2  TYR  10           HD2      TYR  10  -4.639   3.284  -7.733
   99    HE1  TYR  10           HE1      TYR  10  -7.453   0.387 -10.634
  100    HE2  TYR  10           HE2      TYR  10  -5.633   4.204  -9.804
  101    HH   TYR  10           HH       TYR  10  -7.590   2.222 -12.038
  102    QB   TYR  10           QB       TYR  10  -5.190   1.085  -6.079
  103    QR   TYR  10           QR       TYR  10  -6.080   1.847  -9.167
  104    H    THR  11           HN       THR  11  -3.396  -1.437  -8.992
  105    HA   THR  11           HA       THR  11  -0.662  -0.688  -8.673
  106    HB   THR  11           HB       THR  11  -2.237  -1.879 -10.943
  107    HG1  THR  11          1HG       THR  11  -0.696  -3.515 -10.483
  108   1HG2  THR  11          3HG2      THR  11  -0.482  -0.348 -12.045
  109   2HG2  THR  11          1HG2      THR  11   0.738  -1.304 -11.165
  110   3HG2  THR  11          2HG2      THR  11  -0.313  -2.080 -12.347
  111    QG2  THR  11           QG2      THR  11  -0.019  -1.244 -11.852
  112    H    GLY  12           HN       GLY  12  -3.374   0.837 -10.327
  113   1HA   GLY  12          1HA       GLY  12  -3.464   3.215 -10.632
  114   2HA   GLY  12          2HA       GLY  12  -1.710   3.299 -10.774
  115    QA   GLY  12           QA       GLY  12  -2.587   3.257 -10.703
  116    HA   PRO  13           HA       PRO  13  -3.663   2.314 -15.001
  117   1HB   PRO  13          2HB       PRO  13  -4.250   4.770 -16.078
  118   2HB   PRO  13          3HB       PRO  13  -5.362   3.880 -15.017
  119   1HG   PRO  13          2HG       PRO  13  -3.510   6.144 -14.256
  120   2HG   PRO  13          3HG       PRO  13  -5.233   5.918 -13.826
  121   1HD   PRO  13          2HD       PRO  13  -3.142   5.218 -12.158
  122   2HD   PRO  13          3HD       PRO  13  -4.719   4.375 -12.169
  123    QB   PRO  13           QB       PRO  13  -4.806   4.325 -15.548
  124    QG   PRO  13           QG       PRO  13  -4.372   6.031 -14.041
  125    QD   PRO  13           QD       PRO  13  -3.930   4.797 -12.163
  126    H    CYS  14           HN       CYS  14  -1.029   2.083 -14.245
  127    HA   CYS  14           HA       CYS  14   0.475   3.573 -16.329
  128   1HB   CYS  14          2HB       CYS  14   1.006   3.750 -13.349
  129   2HB   CYS  14          3HB       CYS  14   2.161   4.190 -14.609
  130    QB   CYS  14           QB       CYS  14   1.584   3.970 -13.979
  131    H    LYS  15           HN       LYS  15   2.353   2.572 -17.043
  132    HA   LYS  15           HA       LYS  15   2.335  -0.296 -16.480
  133   1HB   LYS  15          2HB       LYS  15   2.177   0.526 -18.787
  134   2HB   LYS  15          3HB       LYS  15   3.756   1.304 -18.632
  135   1HG   LYS  15          2HG       LYS  15   4.822  -0.603 -19.112
  136   2HG   LYS  15          3HG       LYS  15   4.037  -1.439 -17.773
  137   1HD   LYS  15          2HD       LYS  15   2.022  -1.813 -19.256
  138   2HD   LYS  15          3HD       LYS  15   2.997  -1.199 -20.614
  139   1HE   LYS  15          2HE       LYS  15   4.645  -2.992 -20.307
  140   2HE   LYS  15          3HE       LYS  15   3.845  -3.550 -18.829
  141   1HZ   LYS  15          1HZ       LYS  15   2.492  -3.566 -21.437
  142   2HZ   LYS  15          2HZ       LYS  15   3.362  -4.840 -20.866
  143   3HZ   LYS  15          3HZ       LYS  15   2.035  -4.325 -20.047
  144    QB   LYS  15           QB       LYS  15   2.967   0.915 -18.709
  145    QG   LYS  15           QG       LYS  15   4.429  -1.021 -18.442
  146    QD   LYS  15           QD       LYS  15   2.510  -1.506 -19.935
  147    QE   LYS  15           QE       LYS  15   4.245  -3.271 -19.568
  148    QZ   LYS  15           QZ       LYS  15   2.630  -4.244 -20.783
  149    H    ALA  16           HN       ALA  16   3.252   0.172 -14.281
  150    HA   ALA  16           HA       ALA  16   6.160  -0.377 -14.491
  151   1HB   ALA  16          1HB       ALA  16   4.885   1.876 -12.976
  152   2HB   ALA  16          2HB       ALA  16   6.355   1.106 -12.321
  153   3HB   ALA  16          3HB       ALA  16   6.367   1.864 -13.925
  154    QB   ALA  16           QB       ALA  16   5.869   1.615 -13.074
  155    H    ARG  17           HN       ARG  17   6.984  -1.195 -12.266
  156    HA   ARG  17           HA       ARG  17   4.963  -2.848 -10.983
  157   1HB   ARG  17          2HB       ARG  17   7.482  -4.177 -11.858
  158   2HB   ARG  17          3HB       ARG  17   5.950  -4.851 -11.464
  159   1HG   ARG  17          2HG       ARG  17   6.102  -5.255 -13.741
  160   2HG   ARG  17          3HG       ARG  17   5.025  -3.879 -13.626
  161   1HD   ARG  17          2HD       ARG  17   6.339  -2.916 -15.184
  162   2HD   ARG  17          3HD       ARG  17   7.553  -2.644 -13.950
  163    HE   ARG  17           HE       ARG  17   7.554  -4.566 -16.139
  164   1HH1  ARG  17          2HH2      ARG  17   8.992  -3.849 -13.004
  165   2HH1  ARG  17          1HH2      ARG  17  10.449  -4.748 -13.275
  166   1HH2  ARG  17          2HH1      ARG  17   9.502  -5.726 -16.572
  167   2HH2  ARG  17          1HH1      ARG  17  10.748  -5.814 -15.374
  168    QB   ARG  17           QB       ARG  17   6.716  -4.514 -11.661
  169    QG   ARG  17           QG       ARG  17   5.564  -4.567 -13.684
  170    QD   ARG  17           QD       ARG  17   6.946  -2.780 -14.567
  171    QH1  ARG  17           QH2      ARG  17   9.721  -4.299 -13.140
  172    QH2  ARG  17           QH1      ARG  17  10.125  -5.770 -15.973
  173    H    ILE  18           HN       ILE  18   5.885  -0.823  -9.736
  174    HA   ILE  18           HA       ILE  18   8.400  -1.172  -8.279
  175    HB   ILE  18           HB       ILE  18   6.102   0.799  -7.908
  176   1HG1  ILE  18          2HG1      ILE  18   8.777   1.041  -9.310
  177   2HG1  ILE  18          3HG1      ILE  18   7.204   0.961 -10.115
  178   1HG2  ILE  18          1HG2      ILE  18   8.254   0.195  -6.124
  179   2HG2  ILE  18          2HG2      ILE  18   8.730   1.671  -6.938
  180   3HG2  ILE  18          3HG2      ILE  18   7.174   1.595  -6.090
  181   1HD1  ILE  18          3HD1      ILE  18   7.718   3.224  -8.161
  182   2HD1  ILE  18          1HD1      ILE  18   8.332   3.279  -9.824
  183   3HD1  ILE  18          2HD1      ILE  18   6.601   3.135  -9.519
  184    QG1  ILE  18           QG1      ILE  18   7.990   1.001  -9.712
  185    QG2  ILE  18           QG2      ILE  18   8.052   1.154  -6.384
  186    QD1  ILE  18           QD1      ILE  18   7.550   3.213  -9.168
  187    H    ILE  19           HN       ILE  19   8.509  -2.692  -6.681
  188    HA   ILE  19           HA       ILE  19   6.223  -3.798  -5.357
  189    HB   ILE  19           HB       ILE  19   9.127  -3.745  -4.524
  190   1HG1  ILE  19          2HG1      ILE  19   8.808  -4.747  -6.779
  191   2HG1  ILE  19          3HG1      ILE  19   9.404  -5.893  -5.594
  192   1HG2  ILE  19          3HG2      ILE  19   7.029  -4.558  -2.912
  193   2HG2  ILE  19          1HG2      ILE  19   7.491  -6.074  -3.675
  194   3HG2  ILE  19          2HG2      ILE  19   8.700  -5.127  -2.804
  195   1HD1  ILE  19          3HD1      ILE  19   6.425  -5.844  -5.955
  196   2HD1  ILE  19          1HD1      ILE  19   7.396  -6.455  -7.302
  197   3HD1  ILE  19          2HD1      ILE  19   7.525  -7.203  -5.704
  198    QG1  ILE  19           QG1      ILE  19   9.106  -5.320  -6.187
  199    QG2  ILE  19           QG2      ILE  19   7.740  -5.253  -3.130
  200    QD1  ILE  19           QD1      ILE  19   7.115  -6.501  -6.320
  201    H    ARG  20           HN       ARG  20   5.000  -2.952  -3.826
  202    HA   ARG  20           HA       ARG  20   5.944  -0.772  -2.036
  203   1HB   ARG  20          2HB       ARG  20   3.562  -0.881  -3.927
  204   2HB   ARG  20          3HB       ARG  20   3.433   0.039  -2.435
  205   1HG   ARG  20          2HG       ARG  20   5.603   0.520  -4.522
  206   2HG   ARG  20          3HG       ARG  20   4.060   1.389  -4.404
  207   1HD   ARG  20          2HD       ARG  20   4.732   1.783  -1.928
  208   2HD   ARG  20          3HD       ARG  20   6.387   1.464  -2.464
  209    HE   ARG  20           HE       ARG  20   5.700   3.255  -4.300
  210   1HH1  ARG  20          2HH2      ARG  20   5.035   3.355  -0.834
  211   2HH1  ARG  20          1HH2      ARG  20   4.649   5.025  -0.763
  212   1HH2  ARG  20          2HH1      ARG  20   5.381   5.543  -4.247
  213   2HH2  ARG  20          1HH1      ARG  20   5.051   6.349  -2.747
  214    QB   ARG  20           QB       ARG  20   3.497  -0.421  -3.181
  215    QG   ARG  20           QG       ARG  20   4.832   0.955  -4.463
  216    QD   ARG  20           QD       ARG  20   5.559   1.624  -2.196
  217    QH1  ARG  20           QH2      ARG  20   4.842   4.190  -0.799
  218    QH2  ARG  20           QH1      ARG  20   5.216   5.946  -3.497
  219    H    TYR  21           HN       TYR  21   4.146  -0.522  -0.263
  220    HA   TYR  21           HA       TYR  21   2.992  -3.169   0.351
  221   1HB   TYR  21          2HB       TYR  21   4.143  -1.394   2.486
  222   2HB   TYR  21          3HB       TYR  21   3.631  -3.026   2.651
  223    HD1  TYR  21           HD1      TYR  21   6.280  -1.318   0.471
  224    HD2  TYR  21           HD2      TYR  21   5.386  -4.350   3.383
  225    HE1  TYR  21           HE1      TYR  21   8.336  -2.488  -0.156
  226    HE2  TYR  21           HE2      TYR  21   7.588  -5.390   2.933
  227    HH   TYR  21           HH       TYR  21   9.679  -4.433   0.242
  228    QB   TYR  21           QB       TYR  21   3.887  -2.210   2.569
  229    QR   TYR  21           QR       TYR  21   6.897  -3.387   1.658
  230    H    PHE  22           HN       PHE  22   1.426  -3.023   2.147
  231    HA   PHE  22           HA       PHE  22  -0.076  -0.545   2.451
  232   1HB   PHE  22          2HB       PHE  22  -2.049  -1.145   1.352
  233   2HB   PHE  22          3HB       PHE  22  -0.826  -1.271   0.151
  234    HD1  PHE  22          2HD       PHE  22   0.226  -3.958   0.227
  235    HD2  PHE  22          1HD       PHE  22  -3.778  -2.661   1.193
  236    HE1  PHE  22          2HE       PHE  22  -0.606  -6.253  -0.142
  237    HE2  PHE  22          1HE       PHE  22  -4.596  -4.961   0.841
  238    HZ   PHE  22           HZ       PHE  22  -3.016  -6.770   0.179
  239    QB   PHE  22           QB       PHE  22  -1.438  -1.208   0.752
  240    QR   PHE  22           QR       PHE  22  -2.188  -4.458   0.530
  241    H    TYR  23           HN       TYR  23  -1.592  -0.714   4.171
  242    HA   TYR  23           HA       TYR  23  -1.511  -3.105   5.886
  243   1HB   TYR  23          2HB       TYR  23  -1.850  -0.913   6.848
  244   2HB   TYR  23          3HB       TYR  23  -3.225  -0.650   5.793
  245    HD1  TYR  23           HD2      TYR  23  -5.437  -1.713   6.274
  246    HD2  TYR  23           HD1      TYR  23  -2.046  -2.343   8.856
  247    HE1  TYR  23           HE2      TYR  23  -6.959  -2.142   8.157
  248    HE2  TYR  23           HE1      TYR  23  -3.580  -2.969  10.696
  249    HH   TYR  23           HH       TYR  23  -5.843  -3.512  11.210
  250    QB   TYR  23           QB       TYR  23  -2.538  -0.781   6.321
  251    QR   TYR  23           QR       TYR  23  -4.506  -2.292   8.496
  252    H    ASN  24           HN       ASN  24  -2.520  -4.949   5.258
  253    HA   ASN  24           HA       ASN  24  -4.859  -4.812   3.397
  254   1HB   ASN  24          2HB       ASN  24  -3.168  -6.431   2.864
  255   2HB   ASN  24          3HB       ASN  24  -3.287  -7.216   4.442
  256   1HD2  ASN  24          2HD2      ASN  24  -5.267  -9.253   2.095
  257   2HD2  ASN  24          1HD2      ASN  24  -3.588  -8.944   2.526
  258    QB   ASN  24           QB       ASN  24  -3.227  -6.823   3.653
  259    QD2  ASN  24           QD2      ASN  24  -4.428  -9.099   2.311
  260    H    ALA  25           HN       ALA  25  -6.528  -4.109   4.709
  261    HA   ALA  25           HA       ALA  25  -7.137  -4.880   7.334
  262   1HB   ALA  25          1HB       ALA  25  -8.277  -3.140   5.983
  263   2HB   ALA  25          2HB       ALA  25  -9.088  -4.408   5.041
  264   3HB   ALA  25          3HB       ALA  25  -9.421  -4.253   6.780
  265    QB   ALA  25           QB       ALA  25  -8.929  -3.934   5.935
  266    H    LYS  26           HN       LYS  26  -7.111  -6.960   4.486
  267    HA   LYS  26           HA       LYS  26  -9.231  -8.702   5.531
  268   1HB   LYS  26          2HB       LYS  26  -8.582  -8.256   3.077
  269   2HB   LYS  26          3HB       LYS  26  -7.282  -9.423   3.320
  270   1HG   LYS  26          2HG       LYS  26 -10.138 -10.151   4.059
  271   2HG   LYS  26          3HG       LYS  26  -9.669 -10.069   2.360
  272   1HD   LYS  26          2HD       LYS  26  -7.929 -11.685   2.604
  273   2HD   LYS  26          3HD       LYS  26  -8.127 -11.796   4.349
  274   1HE   LYS  26          2HE       LYS  26 -10.482 -12.388   2.509
  275   2HE   LYS  26          3HE       LYS  26  -9.212 -13.597   2.738
  276   1HZ   LYS  26          3HZ       LYS  26  -9.609 -13.503   5.105
  277   2HZ   LYS  26          1HZ       LYS  26 -10.832 -12.421   4.901
  278   3HZ   LYS  26          2HZ       LYS  26 -10.964 -13.944   4.285
  279    QB   LYS  26           QB       LYS  26  -7.932  -8.839   3.198
  280    QG   LYS  26           QG       LYS  26  -9.903 -10.110   3.210
  281    QD   LYS  26           QD       LYS  26  -8.028 -11.741   3.476
  282    QE   LYS  26           QE       LYS  26  -9.847 -12.993   2.624
  283    QZ   LYS  26           QZ       LYS  26 -10.469 -13.290   4.764
  284    H    ALA  27           HN       ALA  27  -5.789  -8.304   5.881
  285    HA   ALA  27           HA       ALA  27  -5.498 -10.937   7.272
  286   1HB   ALA  27          3HB       ALA  27  -4.049 -10.323   5.235
  287   2HB   ALA  27          1HB       ALA  27  -3.261  -9.139   6.302
  288   3HB   ALA  27          2HB       ALA  27  -3.219 -10.869   6.709
  289    QB   ALA  27           QB       ALA  27  -3.510 -10.110   6.082
  290    H    GLY  28           HN       GLY  28  -5.377  -7.453   7.599
  291   1HA   GLY  28          1HA       GLY  28  -5.384  -6.129   9.451
  292   2HA   GLY  28          2HA       GLY  28  -5.184  -7.543  10.497
  293    QA   GLY  28           QA       GLY  28  -5.284  -6.836   9.974
  294    H    LEU  29           HN       LEU  29  -2.927  -6.965   7.783
  295    HA   LEU  29           HA       LEU  29  -0.891  -5.845   9.582
  296   1HB   LEU  29          2HB       LEU  29  -1.055  -8.454   9.704
  297   2HB   LEU  29          3HB       LEU  29  -0.353  -8.447   8.094
  298    HG   LEU  29           HG       LEU  29   1.172  -6.694   9.920
  299   1HD1  LEU  29          1HD1      LEU  29   0.223  -8.149  11.656
  300   2HD1  LEU  29          2HD1      LEU  29   0.842  -9.580  10.798
  301   3HD1  LEU  29          3HD1      LEU  29   1.974  -8.380  11.471
  302   1HD2  LEU  29          2HD2      LEU  29   2.051  -7.705   7.805
  303   2HD2  LEU  29          3HD2      LEU  29   3.044  -8.116   9.210
  304   3HD2  LEU  29          1HD2      LEU  29   1.918  -9.311   8.531
  305    QB   LEU  29           QB       LEU  29  -0.704  -8.451   8.899
  306    QD1  LEU  29           QD1      LEU  29   1.013  -8.703  11.308
  307    QD2  LEU  29           QD2      LEU  29   2.338  -8.377   8.515
  308    QQD  LEU  29           QQD      LEU  29   1.675  -8.540   9.912
  309    H    CYS  30           HN       CYS  30   1.273  -5.601   8.240
  310    HA   CYS  30           HA       CYS  30   0.429  -4.184   5.793
  311   1HB   CYS  30          2HB       CYS  30   2.987  -4.166   7.368
  312   2HB   CYS  30          3HB       CYS  30   2.685  -3.200   5.915
  313    QB   CYS  30           QB       CYS  30   2.836  -3.683   6.642
  314    H    GLN  31           HN       GLN  31   0.722  -5.004   3.804
  315    HA   GLN  31           HA       GLN  31   2.519  -7.379   3.426
  316   1HB   GLN  31          2HB       GLN  31  -0.383  -6.903   2.733
  317   2HB   GLN  31          3HB       GLN  31   0.586  -7.897   1.651
  318   1HG   GLN  31          2HG       GLN  31   1.137  -9.482   3.310
  319   2HG   GLN  31          3HG       GLN  31   0.522  -8.457   4.623
  320   1HE2  GLN  31          2HE2      GLN  31  -2.151 -10.843   4.361
  321   2HE2  GLN  31          1HE2      GLN  31  -0.599 -10.573   5.122
  322    QB   GLN  31           QB       GLN  31   0.102  -7.400   2.192
  323    QG   GLN  31           QG       GLN  31   0.829  -8.970   3.967
  324    QE2  GLN  31           QE2      GLN  31  -1.375 -10.708   4.741
  325    H    THR  32           HN       THR  32   2.907  -7.745   1.095
  326    HA   THR  32           HA       THR  32   3.847  -5.183  -0.033
  327    HB   THR  32           HB       THR  32   5.467  -6.475  -1.203
  328    HG1  THR  32          1HG       THR  32   5.485  -8.764  -0.984
  329   1HG2  THR  32          3HG2      THR  32   5.498  -6.204   1.489
  330   2HG2  THR  32          1HG2      THR  32   5.516  -7.963   1.422
  331   3HG2  THR  32          2HG2      THR  32   6.803  -7.035   0.616
  332    QG2  THR  32           QG2      THR  32   5.939  -7.068   1.176
  333    H    PHE  33           HN       PHE  33   3.587  -4.850  -2.394
  334    HA   PHE  33           HA       PHE  33   2.034  -6.703  -3.943
  335   1HB   PHE  33          2HB       PHE  33   0.116  -5.432  -4.371
  336   2HB   PHE  33          3HB       PHE  33   0.255  -5.376  -2.628
  337    HD1  PHE  33          2HD       PHE  33   1.486  -3.243  -1.624
  338    HD2  PHE  33          1HD       PHE  33  -0.193  -3.446  -5.587
  339    HE1  PHE  33          2HE       PHE  33   1.201  -0.767  -1.654
  340    HE2  PHE  33          1HE       PHE  33  -0.360  -0.994  -5.654
  341    HZ   PHE  33           HZ       PHE  33   0.309   0.355  -3.668
  342    QB   PHE  33           QB       PHE  33   0.185  -5.404  -3.500
  343    QR   PHE  33           QR       PHE  33   0.533  -2.112  -3.630
  344    H    VAL  34           HN       VAL  34   1.727  -5.644  -6.224
  345    HA   VAL  34           HA       VAL  34   4.204  -4.130  -6.881
  346    HB   VAL  34           HB       VAL  34   2.216  -5.557  -8.703
  347   1HG1  VAL  34          3HG1      VAL  34   4.924  -4.256  -9.184
  348   2HG1  VAL  34          1HG1      VAL  34   3.986  -5.158 -10.402
  349   3HG1  VAL  34          2HG1      VAL  34   3.357  -3.649  -9.760
  350   1HG2  VAL  34          1HG2      VAL  34   4.722  -6.467  -7.300
  351   2HG2  VAL  34          2HG2      VAL  34   3.247  -7.364  -7.688
  352   3HG2  VAL  34          3HG2      VAL  34   4.439  -7.028  -8.957
  353    QG1  VAL  34           QG1      VAL  34   4.089  -4.355  -9.782
  354    QG2  VAL  34           QG2      VAL  34   4.136  -6.953  -7.982
  355    QQG  VAL  34           QQG      VAL  34   4.112  -5.654  -8.882
  356    H    TYR  35           HN       TYR  35   4.039  -1.975  -7.411
  357    HA   TYR  35           HA       TYR  35   1.339  -0.836  -7.937
  358   1HB   TYR  35          2HB       TYR  35   2.180  -0.074  -5.794
  359   2HB   TYR  35          3HB       TYR  35   3.768   0.236  -6.481
  360    HD1  TYR  35           HD1      TYR  35   0.188   1.312  -6.936
  361    HD2  TYR  35           HD2      TYR  35   4.344   2.413  -7.105
  362    HE1  TYR  35           HE1      TYR  35  -0.436   3.645  -7.600
  363    HE2  TYR  35           HE2      TYR  35   3.686   4.785  -7.394
  364    HH   TYR  35           HH       TYR  35   0.509   5.605  -8.625
  365    QB   TYR  35           QB       TYR  35   2.974   0.081  -6.137
  366    QR   TYR  35           QR       TYR  35   1.945   3.039  -7.259
  367    H    GLY  36           HN       GLY  36   1.199   0.425  -9.719
  368   1HA   GLY  36          1HA       GLY  36   3.174   0.461 -11.778
  369   2HA   GLY  36          2HA       GLY  36   1.718   1.446 -11.695
  370    QA   GLY  36           QA       GLY  36   2.446   0.953 -11.737
  371    H    GLY  37           HN       GLY  37   1.811   3.502 -10.743
  372   1HA   GLY  37          1HA       GLY  37   3.850   5.028  -9.608
  373   2HA   GLY  37          2HA       GLY  37   4.241   4.849 -11.336
  374    QA   GLY  37           QA       GLY  37   4.045   4.938 -10.472
  375    H    CYS  38           HN       CYS  38   3.324   7.461 -10.298
  376    HA   CYS  38           HA       CYS  38   1.671   8.966 -10.623
  377   1HB   CYS  38          2HB       CYS  38  -0.117   8.176 -12.600
  378   2HB   CYS  38          3HB       CYS  38   1.352   9.111 -12.738
  379    QB   CYS  38           QB       CYS  38   0.617   8.644 -12.669
  380    H    ARG  39           HN       ARG  39  -0.162   9.597  -9.628
  381    HA   ARG  39           HA       ARG  39  -2.027   9.494  -8.324
  382   1HB   ARG  39          2HB       ARG  39  -2.795   7.707 -10.672
  383   2HB   ARG  39          3HB       ARG  39  -3.908   8.042  -9.352
  384   1HG   ARG  39          2HG       ARG  39  -4.502   9.582 -10.936
  385   2HG   ARG  39          3HG       ARG  39  -3.643  10.475  -9.684
  386   1HD   ARG  39          2HD       ARG  39  -1.563  10.292 -11.230
  387   2HD   ARG  39          3HD       ARG  39  -2.653   9.740 -12.487
  388    HE   ARG  39           HE       ARG  39  -2.269  12.410 -11.361
  389   1HH1  ARG  39          2HH2      ARG  39  -4.590  10.414 -13.104
  390   2HH1  ARG  39          1HH2      ARG  39  -5.509  11.744 -13.738
  391   1HH2  ARG  39          2HH1      ARG  39  -3.480  14.201 -12.133
  392   2HH2  ARG  39          1HH1      ARG  39  -4.855  13.958 -13.155
  393    QB   ARG  39           QB       ARG  39  -3.351   7.874 -10.012
  394    QG   ARG  39           QG       ARG  39  -4.072  10.029 -10.310
  395    QD   ARG  39           QD       ARG  39  -2.108  10.016 -11.859
  396    QH1  ARG  39           QH2      ARG  39  -5.049  11.079 -13.421
  397    QH2  ARG  39           QH1      ARG  39  -4.167  14.080 -12.644
  398    H    ALA  40           HN       ALA  40  -0.086   8.084  -7.126
  399    HA   ALA  40           HA       ALA  40  -0.712   5.469  -6.386
  400   1HB   ALA  40          3HB       ALA  40   1.378   7.043  -5.870
  401   2HB   ALA  40          1HB       ALA  40   0.489   7.364  -4.370
  402   3HB   ALA  40          2HB       ALA  40   0.954   5.702  -4.792
  403    QB   ALA  40           QB       ALA  40   0.940   6.703  -5.011
  404    H    LYS  41           HN       LYS  41  -1.631   4.602  -4.401
  405    HA   LYS  41           HA       LYS  41  -3.973   6.140  -3.461
  406   1HB   LYS  41          2HB       LYS  41  -3.027   3.335  -2.780
  407   2HB   LYS  41          3HB       LYS  41  -4.525   4.065  -2.235
  408   1HG   LYS  41          2HG       LYS  41  -3.805   3.628  -5.174
  409   2HG   LYS  41          3HG       LYS  41  -4.702   2.506  -4.146
  410   1HD   LYS  41          2HD       LYS  41  -5.993   5.004  -3.738
  411   2HD   LYS  41          3HD       LYS  41  -5.635   4.970  -5.477
  412   1HE   LYS  41          2HE       LYS  41  -6.787   2.821  -5.694
  413   2HE   LYS  41          3HE       LYS  41  -6.904   2.654  -3.921
  414   1HZ   LYS  41          2HZ       LYS  41  -8.284   4.787  -5.358
  415   2HZ   LYS  41          3HZ       LYS  41  -8.956   3.338  -4.937
  416   3HZ   LYS  41          1HZ       LYS  41  -8.393   4.300  -3.735
  417    QB   LYS  41           QB       LYS  41  -3.776   3.700  -2.507
  418    QG   LYS  41           QG       LYS  41  -4.253   3.067  -4.660
  419    QD   LYS  41           QD       LYS  41  -5.814   4.987  -4.608
  420    QE   LYS  41           QE       LYS  41  -6.845   2.738  -4.808
  421    QZ   LYS  41           QZ       LYS  41  -8.544   4.142  -4.677
  422    H    ARG  42           HN       ARG  42  -4.340   6.091  -1.129
  423    HA   ARG  42           HA       ARG  42  -2.184   7.544   0.167
  424   1HB   ARG  42          2HB       ARG  42  -4.894   6.580   1.120
  425   2HB   ARG  42          3HB       ARG  42  -3.777   7.556   2.106
  426   1HG   ARG  42          2HG       ARG  42  -3.879   9.385   0.582
  427   2HG   ARG  42          3HG       ARG  42  -4.881   8.503  -0.571
  428   1HD   ARG  42          2HD       ARG  42  -5.868   8.806   2.272
  429   2HD   ARG  42          3HD       ARG  42  -5.879  10.240   1.241
  430    HE   ARG  42           HE       ARG  42  -7.102   8.486  -0.384
  431   1HH1  ARG  42          2HH2      ARG  42  -7.801   9.418   2.974
  432   2HH1  ARG  42          1HH2      ARG  42  -9.482   9.010   2.886
  433   1HH2  ARG  42          2HH1      ARG  42  -9.383   8.227  -0.586
  434   2HH2  ARG  42          1HH1      ARG  42 -10.408   8.476   0.789
  435    QB   ARG  42           QB       ARG  42  -4.335   7.068   1.613
  436    QG   ARG  42           QG       ARG  42  -4.380   8.944   0.006
  437    QD   ARG  42           QD       ARG  42  -5.873   9.523   1.757
  438    QH1  ARG  42           QH2      ARG  42  -8.641   9.214   2.930
  439    QH2  ARG  42           QH1      ARG  42  -9.895   8.351   0.102
  440    H    ASN  43           HN       ASN  43  -3.579   4.296   0.458
  441    HA   ASN  43           HA       ASN  43  -1.899   3.471   2.705
  442   1HB   ASN  43          2HB       ASN  43  -4.174   2.743   2.501
  443   2HB   ASN  43          3HB       ASN  43  -3.939   2.068   0.907
  444   1HD2  ASN  43          2HD2      ASN  43  -4.015  -0.867   2.986
  445   2HD2  ASN  43          1HD2      ASN  43  -4.842   0.150   1.815
  446    QB   ASN  43           QB       ASN  43  -4.057   2.406   1.704
  447    QD2  ASN  43           QD2      ASN  43  -4.429  -0.359   2.401
  448    H    ASN  44           HN       ASN  44  -0.001   4.259   1.184
  449    HA   ASN  44           HA       ASN  44   1.105   1.873  -0.295
  450   1HB   ASN  44          2HB       ASN  44   0.888   4.734  -1.259
  451   2HB   ASN  44          3HB       ASN  44   2.177   3.659  -1.805
  452   1HD2  ASN  44          2HD2      ASN  44   0.166   2.592  -4.442
  453   2HD2  ASN  44          1HD2      ASN  44   1.640   3.403  -3.954
  454    QB   ASN  44           QB       ASN  44   1.533   4.196  -1.532
  455    QD2  ASN  44           QD2      ASN  44   0.903   2.998  -4.198
  456    H    PHE  45           HN       PHE  45   2.597   1.285   1.245
  457    HA   PHE  45           HA       PHE  45   4.557   3.366   2.172
  458   1HB   PHE  45          2HB       PHE  45   4.025   0.664   3.402
  459   2HB   PHE  45          3HB       PHE  45   4.865   2.034   4.117
  460    HD1  PHE  45          2HD       PHE  45   3.523   4.220   4.507
  461    HD2  PHE  45          1HD       PHE  45   1.669   0.410   3.696
  462    HE1  PHE  45          2HE       PHE  45   1.385   5.068   5.365
  463    HE2  PHE  45          1HE       PHE  45  -0.389   1.185   4.839
  464    HZ   PHE  45           HZ       PHE  45  -0.568   3.500   5.643
  465    QB   PHE  45           QB       PHE  45   4.445   1.349   3.759
  466    QR   PHE  45           QR       PHE  45   1.547   2.721   4.602
  467    H    LYS  46           HN       LYS  46   6.773   2.294   2.692
  468    HA   LYS  46           HA       LYS  46   7.624   0.648   0.353
  469   1HB   LYS  46          2HB       LYS  46   9.259   2.578   2.045
  470   2HB   LYS  46          3HB       LYS  46   9.717   1.742   0.558
  471   1HG   LYS  46          2HG       LYS  46   7.377   2.940  -0.202
  472   2HG   LYS  46          3HG       LYS  46   7.962   4.127   0.960
  473   1HD   LYS  46          2HD       LYS  46   9.496   3.008  -1.457
  474   2HD   LYS  46          3HD       LYS  46   8.600   4.523  -1.475
  475   1HE   LYS  46          2HE       LYS  46  10.461   4.544   0.785
  476   2HE   LYS  46          3HE       LYS  46  11.328   4.043  -0.670
  477   1HZ   LYS  46          1HZ       LYS  46  10.496   6.034  -1.761
  478   2HZ   LYS  46          2HZ       LYS  46   9.755   6.515  -0.367
  479   3HZ   LYS  46          3HZ       LYS  46  11.391   6.392  -0.433
  480    QB   LYS  46           QB       LYS  46   9.488   2.160   1.301
  481    QG   LYS  46           QG       LYS  46   7.670   3.533   0.379
  482    QD   LYS  46           QD       LYS  46   9.048   3.766  -1.466
  483    QE   LYS  46           QE       LYS  46  10.895   4.293   0.057
  484    QZ   LYS  46           QZ       LYS  46  10.547   6.313  -0.854
  485    H    SER  47           HN       SER  47   7.120   0.583   3.715
  486    HA   SER  47           HA       SER  47   8.355  -2.046   3.891
  487   1HB   SER  47          2HB       SER  47   9.748  -1.533   5.845
  488   2HB   SER  47          3HB       SER  47  10.251  -0.540   4.470
  489    HG   SER  47           HG       SER  47  10.055   0.847   6.191
  490    QB   SER  47           QB       SER  47  10.000  -1.036   5.158
  491    H    ALA  48           HN       ALA  48   7.638  -3.208   5.776
  492    HA   ALA  48           HA       ALA  48   4.983  -2.625   6.621
  493   1HB   ALA  48          2HB       ALA  48   5.882  -4.924   6.603
  494   2HB   ALA  48          3HB       ALA  48   7.050  -4.481   7.875
  495   3HB   ALA  48          1HB       ALA  48   5.312  -4.471   8.221
  496    QB   ALA  48           QB       ALA  48   6.081  -4.625   7.566
  497    H    GLU  49           HN       GLU  49   8.192  -1.992   8.054
  498    HA   GLU  49           HA       GLU  49   7.336  -1.136  10.597
  499   1HB   GLU  49          2HB       GLU  49   9.666  -1.531  10.118
  500   2HB   GLU  49          3HB       GLU  49   9.723  -0.215   8.924
  501   1HG   GLU  49          2HG       GLU  49   9.430   1.461  10.578
  502   2HG   GLU  49          3HG       GLU  49   8.862   0.292  11.792
  503    QB   GLU  49           QB       GLU  49   9.695  -0.873   9.521
  504    QG   GLU  49           QG       GLU  49   9.146   0.876  11.185
  505    H    ASP  50           HN       ASP  50   7.815   0.823   7.575
  506    HA   ASP  50           HA       ASP  50   7.058   3.231   8.896
  507   1HB   ASP  50          2HB       ASP  50   8.374   2.994   6.727
  508   2HB   ASP  50          3HB       ASP  50   6.831   2.685   5.905
  509    QB   ASP  50           QB       ASP  50   7.603   2.840   6.316
  510    H    CYS  51           HN       CYS  51   5.299   0.957   6.792
  511    HA   CYS  51           HA       CYS  51   2.718   2.015   6.730
  512   1HB   CYS  51          2HB       CYS  51   3.379  -0.019   5.532
  513   2HB   CYS  51          3HB       CYS  51   3.639  -0.860   7.038
  514    QB   CYS  51           QB       CYS  51   3.509  -0.440   6.285
  515    H    MET  52           HN       MET  52   4.002  -0.173   9.295
  516    HA   MET  52           HA       MET  52   1.656   0.005  10.900
  517   1HB   MET  52          2HB       MET  52   4.522  -0.776  11.545
  518   2HB   MET  52          3HB       MET  52   3.177  -0.900  12.689
  519   1HG   MET  52          2HG       MET  52   3.168  -2.225   9.965
  520   2HG   MET  52          3HG       MET  52   3.730  -3.040  11.407
  521   1HE   MET  52          2HE       MET  52   1.905  -2.721  13.694
  522   2HE   MET  52          3HE       MET  52   0.551  -3.831  13.377
  523   3HE   MET  52          1HE       MET  52   2.213  -4.334  13.005
  524    QB   MET  52           QB       MET  52   3.849  -0.838  12.117
  525    QG   MET  52           QG       MET  52   3.449  -2.632  10.686
  526    QE   MET  52           QE       MET  52   1.556  -3.629  13.359
  527    H    ARG  53           HN       ARG  53   4.849   1.723  11.178
  528    HA   ARG  53           HA       ARG  53   4.201   3.305  13.397
  529   1HB   ARG  53          2HB       ARG  53   5.921   3.903  10.967
  530   2HB   ARG  53          3HB       ARG  53   5.772   5.017  12.334
  531   1HG   ARG  53          2HG       ARG  53   6.569   3.288  13.892
  532   2HG   ARG  53          3HG       ARG  53   6.730   2.132  12.566
  533   1HD   ARG  53          2HD       ARG  53   8.303   3.690  11.410
  534   2HD   ARG  53          3HD       ARG  53   8.264   4.780  12.793
  535    HE   ARG  53           HE       ARG  53   9.794   2.339  12.451
  536   1HH1  ARG  53          2HH2      ARG  53   8.220   4.243  14.956
  537   2HH1  ARG  53          1HH2      ARG  53   9.252   3.685  16.242
  538   1HH2  ARG  53          2HH1      ARG  53  11.115   1.645  13.947
  539   2HH2  ARG  53          1HH1      ARG  53  11.014   2.058  15.659
  540    QB   ARG  53           QB       ARG  53   5.846   4.460  11.651
  541    QG   ARG  53           QG       ARG  53   6.649   2.710  13.229
  542    QD   ARG  53           QD       ARG  53   8.283   4.235  12.101
  543    QH1  ARG  53           QH2      ARG  53   8.736   3.964  15.599
  544    QH2  ARG  53           QH1      ARG  53  11.065   1.852  14.803
  545    H    THR  54           HN       THR  54   3.333   3.903   9.975
  546    HA   THR  54           HA       THR  54   1.943   6.375  10.490
  547    HB   THR  54           HB       THR  54   1.910   4.351   8.223
  548    HG1  THR  54          1HG       THR  54   3.685   5.652   8.305
  549   1HG2  THR  54          3HG2      THR  54   0.133   6.781   8.596
  550   2HG2  THR  54          1HG2      THR  54   0.661   6.268   6.995
  551   3HG2  THR  54          2HG2      THR  54  -0.277   5.158   7.994
  552    QG2  THR  54           QG2      THR  54   0.172   6.069   7.861
  553    H    CYS  55           HN       CYS  55   0.677   3.012  10.067
  554    HA   CYS  55           HA       CYS  55  -2.007   4.039  10.862
  555   1HB   CYS  55          2HB       CYS  55  -1.087   1.519   9.454
  556   2HB   CYS  55          3HB       CYS  55  -2.731   1.772  10.028
  557    QB   CYS  55           QB       CYS  55  -1.909   1.646   9.741
  558    H    GLY  56           HN       GLY  56   0.189   1.363  11.691
  559   1HA   GLY  56          1HA       GLY  56  -1.539   0.181  13.737
  560   2HA   GLY  56          2HA       GLY  56   0.097  -0.300  13.255
  561    QA   GLY  56           QA       GLY  56  -0.721  -0.060  13.496
  562    H    GLY  57           HN       GLY  57  -1.684   2.290  14.911
  563   1HA   GLY  57          1HA       GLY  57   0.618   3.298  16.375
  564   2HA   GLY  57          2HA       GLY  57  -1.079   3.728  16.611
  565    QA   GLY  57           QA       GLY  57  -0.231   3.513  16.493
  566    H    ALA  58           HN       ALA  58  -2.099   2.985  18.453
  567    HA   ALA  58           HA       ALA  58  -1.519   0.501  19.758
  568   1HB   ALA  58          3HB       ALA  58  -0.621   3.168  20.965
  569   2HB   ALA  58          1HB       ALA  58  -0.877   1.689  21.909
  570   3HB   ALA  58          2HB       ALA  58   0.393   1.739  20.671
  571    QB   ALA  58           QB       ALA  58  -0.368   2.199  21.182
   
  No H/Q in entry =         571
  Start of MODEL   20
    1    H    ARG   1           HN       ARG   1  -6.297   5.045  14.451
    2    HA   ARG   1           HA       ARG   1  -5.246   4.943  12.215
    3   1HB   ARG   1          2HB       ARG   1  -7.502   3.327  13.182
    4   2HB   ARG   1          3HB       ARG   1  -7.543   3.454  11.414
    5   1HG   ARG   1          2HG       ARG   1  -5.082   2.826  11.492
    6   2HG   ARG   1          3HG       ARG   1  -5.388   2.269  13.143
    7   1HD   ARG   1          2HD       ARG   1  -7.304   0.848  12.176
    8   2HD   ARG   1          3HD       ARG   1  -6.817   1.387  10.573
    9    HE   ARG   1           HE       ARG   1  -4.856   0.166  10.628
   10   1HH1  ARG   1          2HH2      ARG   1  -6.692  -0.528  13.543
   11   2HH1  ARG   1          1HH2      ARG   1  -5.419  -1.455  14.289
   12   1HH2  ARG   1          2HH1      ARG   1  -3.152  -0.957  11.605
   13   2HH2  ARG   1          1HH1      ARG   1  -3.225  -1.269  13.305
   14    QB   ARG   1           QB       ARG   1  -7.523   3.390  12.298
   15    QG   ARG   1           QG       ARG   1  -5.235   2.547  12.317
   16    QD   ARG   1           QD       ARG   1  -7.060   1.117  11.375
   17    QH1  ARG   1           QH2      ARG   1  -6.055  -0.991  13.916
   18    QH2  ARG   1           QH1      ARG   1  -3.188  -1.113  12.455
   19    HA   PRO   2           HA       PRO   2  -7.828   7.199   9.122
   20   1HB   PRO   2          2HB       PRO   2  -6.388   6.125   6.879
   21   2HB   PRO   2          3HB       PRO   2  -6.234   7.747   7.593
   22   1HG   PRO   2          2HG       PRO   2  -4.263   5.689   7.657
   23   2HG   PRO   2          3HG       PRO   2  -4.282   7.195   8.616
   24   1HD   PRO   2          2HD       PRO   2  -5.083   4.427   9.447
   25   2HD   PRO   2          3HD       PRO   2  -4.385   5.776  10.394
   26    QB   PRO   2           QB       PRO   2  -6.311   6.936   7.236
   27    QG   PRO   2           QG       PRO   2  -4.273   6.442   8.137
   28    QD   PRO   2           QD       PRO   2  -4.734   5.102   9.921
   29    H    ASP   3           HN       ASP   3  -9.043   6.546   7.087
   30    HA   ASP   3           HA       ASP   3 -10.227   3.922   7.228
   31   1HB   ASP   3          2HB       ASP   3 -11.849   5.021   5.678
   32   2HB   ASP   3          3HB       ASP   3 -11.641   5.975   7.150
   33    QB   ASP   3           QB       ASP   3 -11.745   5.498   6.414
   34    H    PHE   4           HN       PHE   4  -8.539   6.110   4.988
   35    HA   PHE   4           HA       PHE   4  -8.346   4.430   2.765
   36   1HB   PHE   4          2HB       PHE   4  -6.489   5.624   2.015
   37   2HB   PHE   4          3HB       PHE   4  -7.474   6.780   2.898
   38    HD1  PHE   4          1HD       PHE   4  -4.408   4.610   3.078
   39    HD2  PHE   4          2HD       PHE   4  -6.474   8.013   4.735
   40    HE1  PHE   4          1HE       PHE   4  -2.430   5.125   4.466
   41    HE2  PHE   4          2HE       PHE   4  -4.403   8.650   5.955
   42    HZ   PHE   4           HZ       PHE   4  -2.415   7.161   5.894
   43    QB   PHE   4           QB       PHE   4  -6.981   6.202   2.456
   44    QR   PHE   4           QR       PHE   4  -4.429   6.600   4.559
   45    H    CYS   5           HN       CYS   5  -6.710   4.050   5.864
   46    HA   CYS   5           HA       CYS   5  -4.549   2.406   5.035
   47   1HB   CYS   5          2HB       CYS   5  -4.693   3.366   7.254
   48   2HB   CYS   5          3HB       CYS   5  -6.132   2.403   7.622
   49    QB   CYS   5           QB       CYS   5  -5.413   2.884   7.438
   50    H    LEU   6           HN       LEU   6  -7.987   1.751   5.065
   51    HA   LEU   6           HA       LEU   6  -7.529  -1.180   4.932
   52   1HB   LEU   6          2HB       LEU   6 -10.140   0.355   5.069
   53   2HB   LEU   6          3HB       LEU   6  -9.869  -1.368   5.297
   54    HG   LEU   6           HG       LEU   6  -8.158  -0.164   7.219
   55   1HD1  LEU   6          3HD1      LEU   6 -10.731   1.392   7.094
   56   2HD1  LEU   6          1HD1      LEU   6  -9.722   1.244   8.548
   57   3HD1  LEU   6          2HD1      LEU   6  -9.041   1.971   7.110
   58   1HD2  LEU   6          2HD2      LEU   6 -10.962  -1.317   7.541
   59   2HD2  LEU   6          3HD2      LEU   6  -9.437  -2.220   7.601
   60   3HD2  LEU   6          1HD2      LEU   6  -9.802  -1.045   8.863
   61    QB   LEU   6           QB       LEU   6 -10.004  -0.507   5.183
   62    QD1  LEU   6           QD1      LEU   6  -9.831   1.536   7.584
   63    QD2  LEU   6           QD2      LEU   6 -10.067  -1.527   8.002
   64    QQD  LEU   6           QQD      LEU   6  -9.949   0.004   7.793
   65    H    GLU   7           HN       GLU   7  -7.285   1.276   2.711
   66    HA   GLU   7           HA       GLU   7  -9.202   0.450   0.796
   67   1HB   GLU   7          2HB       GLU   7  -8.311   2.112  -0.595
   68   2HB   GLU   7          3HB       GLU   7  -8.207   2.755   1.032
   69   1HG   GLU   7          2HG       GLU   7  -5.751   1.955   0.903
   70   2HG   GLU   7          3HG       GLU   7  -6.017   1.728  -0.814
   71    QB   GLU   7           QB       GLU   7  -8.259   2.433   0.219
   72    QG   GLU   7           QG       GLU   7  -5.884   1.842   0.045
   73    HA   PRO   8           HA       PRO   8  -7.035  -2.890  -1.048
   74   1HB   PRO   8          2HB       PRO   8  -8.043  -2.978  -3.614
   75   2HB   PRO   8          3HB       PRO   8  -9.006  -3.376  -2.165
   76   1HG   PRO   8          2HG       PRO   8  -8.860  -0.714  -3.610
   77   2HG   PRO   8          3HG       PRO   8 -10.333  -1.626  -3.153
   78   1HD   PRO   8          2HD       PRO   8  -9.391   0.380  -1.609
   79   2HD   PRO   8          3HD       PRO   8 -10.025  -1.105  -0.848
   80    QB   PRO   8           QB       PRO   8  -8.524  -3.177  -2.889
   81    QG   PRO   8           QG       PRO   8  -9.596  -1.170  -3.382
   82    QD   PRO   8           QD       PRO   8  -9.708  -0.362  -1.228
   83    HA   PRO   9           HA       PRO   9  -3.459  -1.248  -3.110
   84   1HB   PRO   9          2HB       PRO   9  -2.414  -3.495  -4.302
   85   2HB   PRO   9          3HB       PRO   9  -2.401  -3.210  -2.535
   86   1HG   PRO   9          2HG       PRO   9  -4.336  -4.864  -4.172
   87   2HG   PRO   9          3HG       PRO   9  -3.522  -5.315  -2.639
   88   1HD   PRO   9          2HD       PRO   9  -6.077  -4.365  -2.715
   89   2HD   PRO   9          3HD       PRO   9  -4.967  -3.940  -1.378
   90    QB   PRO   9           QB       PRO   9  -2.408  -3.352  -3.418
   91    QG   PRO   9           QG       PRO   9  -3.929  -5.090  -3.406
   92    QD   PRO   9           QD       PRO   9  -5.522  -4.152  -2.046
   93    H    TYR  10           HN       TYR  10  -3.599   0.085  -4.842
   94    HA   TYR  10           HA       TYR  10  -4.923  -0.804  -7.375
   95   1HB   TYR  10          2HB       TYR  10  -6.069   0.950  -6.112
   96   2HB   TYR  10          3HB       TYR  10  -4.586   1.898  -6.031
   97    HD1  TYR  10           HD1      TYR  10  -6.852   0.315  -8.594
   98    HD2  TYR  10           HD2      TYR  10  -4.361   3.679  -7.546
   99    HE1  TYR  10           HE1      TYR  10  -7.593   1.501 -10.632
  100    HE2  TYR  10           HE2      TYR  10  -5.192   4.903  -9.527
  101    HH   TYR  10           HH       TYR  10  -7.469   3.444 -11.860
  102    QB   TYR  10           QB       TYR  10  -5.328   1.424  -6.071
  103    QR   TYR  10           QR       TYR  10  -5.999   2.599  -9.075
  104    H    THR  11           HN       THR  11  -3.492  -1.059  -9.106
  105    HA   THR  11           HA       THR  11  -0.755  -0.174  -8.750
  106    HB   THR  11           HB       THR  11  -2.188  -1.781 -10.838
  107    HG1  THR  11          1HG       THR  11  -0.042  -2.217  -8.996
  108   1HG2  THR  11          3HG2      THR  11  -0.627  -0.359 -12.190
  109   2HG2  THR  11          1HG2      THR  11   0.707  -0.977 -11.181
  110   3HG2  THR  11          2HG2      THR  11  -0.234  -2.086 -12.160
  111    QG2  THR  11           QG2      THR  11  -0.051  -1.141 -11.844
  112    H    GLY  12           HN       GLY  12  -3.498   0.974 -10.643
  113   1HA   GLY  12          1HA       GLY  12  -3.816   3.199 -11.183
  114   2HA   GLY  12          2HA       GLY  12  -2.091   3.534 -11.039
  115    QA   GLY  12           QA       GLY  12  -2.953   3.367 -11.111
  116    HA   PRO  13           HA       PRO  13  -3.340   3.274 -15.540
  117   1HB   PRO  13          2HB       PRO  13  -3.083   5.864 -16.301
  118   2HB   PRO  13          3HB       PRO  13  -4.557   5.193 -15.547
  119   1HG   PRO  13          2HG       PRO  13  -2.355   6.751 -14.202
  120   2HG   PRO  13          3HG       PRO  13  -4.124   6.952 -14.047
  121   1HD   PRO  13          2HD       PRO  13  -2.560   5.507 -12.267
  122   2HD   PRO  13          3HD       PRO  13  -4.283   5.113 -12.572
  123    QB   PRO  13           QB       PRO  13  -3.820   5.529 -15.924
  124    QG   PRO  13           QG       PRO  13  -3.239   6.852 -14.125
  125    QD   PRO  13           QD       PRO  13  -3.421   5.310 -12.419
  126    H    CYS  14           HN       CYS  14  -0.557   4.473 -13.658
  127    HA   CYS  14           HA       CYS  14   1.249   4.173 -15.925
  128   1HB   CYS  14          2HB       CYS  14   1.705   4.238 -12.970
  129   2HB   CYS  14          3HB       CYS  14   2.998   3.961 -14.137
  130    QB   CYS  14           QB       CYS  14   2.351   4.099 -13.553
  131    H    LYS  15           HN       LYS  15   2.533   2.494 -16.503
  132    HA   LYS  15           HA       LYS  15   1.650  -0.260 -15.736
  133   1HB   LYS  15          2HB       LYS  15   2.276   1.078 -18.401
  134   2HB   LYS  15          3HB       LYS  15   2.603  -0.633 -18.175
  135   1HG   LYS  15          2HG       LYS  15   0.648  -0.693 -19.170
  136   2HG   LYS  15          3HG       LYS  15   0.254  -1.046 -17.499
  137   1HD   LYS  15          2HD       LYS  15  -0.040   1.828 -18.027
  138   2HD   LYS  15          3HD       LYS  15  -0.779   0.938 -19.338
  139   1HE   LYS  15          2HE       LYS  15  -2.541   1.188 -17.819
  140   2HE   LYS  15          3HE       LYS  15  -2.027  -0.484 -17.580
  141   1HZ   LYS  15          3HZ       LYS  15  -0.720   0.414 -15.615
  142   2HZ   LYS  15          1HZ       LYS  15  -1.290   1.877 -16.006
  143   3HZ   LYS  15          2HZ       LYS  15  -2.315   0.734 -15.437
  144    QB   LYS  15           QB       LYS  15   2.439   0.222 -18.288
  145    QG   LYS  15           QG       LYS  15   0.451  -0.869 -18.335
  146    QD   LYS  15           QD       LYS  15  -0.409   1.383 -18.682
  147    QE   LYS  15           QE       LYS  15  -2.284   0.352 -17.699
  148    QZ   LYS  15           QZ       LYS  15  -1.442   1.008 -15.686
  149    H    ALA  16           HN       ALA  16   3.400   0.538 -14.048
  150    HA   ALA  16           HA       ALA  16   5.982  -0.693 -14.853
  151   1HB   ALA  16          3HB       ALA  16   5.454   1.679 -13.078
  152   2HB   ALA  16          1HB       ALA  16   6.931   0.698 -12.916
  153   3HB   ALA  16          2HB       ALA  16   6.557   1.534 -14.437
  154    QB   ALA  16           QB       ALA  16   6.314   1.304 -13.477
  155    H    ARG  17           HN       ARG  17   6.984  -1.527 -12.527
  156    HA   ARG  17           HA       ARG  17   4.808  -2.864 -11.085
  157   1HB   ARG  17          2HB       ARG  17   7.193  -4.465 -11.825
  158   2HB   ARG  17          3HB       ARG  17   5.622  -4.975 -11.372
  159   1HG   ARG  17          2HG       ARG  17   5.637  -5.638 -13.544
  160   2HG   ARG  17          3HG       ARG  17   4.861  -4.066 -13.724
  161   1HD   ARG  17          2HD       ARG  17   7.208  -3.141 -14.320
  162   2HD   ARG  17          3HD       ARG  17   7.858  -4.742 -14.036
  163    HE   ARG  17           HE       ARG  17   7.273  -5.394 -16.116
  164   1HH1  ARG  17          2HH2      ARG  17   5.128  -2.816 -15.236
  165   2HH1  ARG  17          1HH2      ARG  17   4.964  -2.095 -16.804
  166   1HH2  ARG  17          2HH1      ARG  17   6.817  -4.780 -18.342
  167   2HH2  ARG  17          1HH1      ARG  17   5.706  -3.484 -18.660
  168    QB   ARG  17           QB       ARG  17   6.407  -4.720 -11.598
  169    QG   ARG  17           QG       ARG  17   5.249  -4.852 -13.634
  170    QD   ARG  17           QD       ARG  17   7.533  -3.942 -14.178
  171    QH1  ARG  17           QH2      ARG  17   5.046  -2.455 -16.020
  172    QH2  ARG  17           QH1      ARG  17   6.261  -4.132 -18.501
  173    H    ILE  18           HN       ILE  18   5.759  -0.929  -9.875
  174    HA   ILE  18           HA       ILE  18   8.327  -1.276  -8.511
  175    HB   ILE  18           HB       ILE  18   6.069   0.703  -8.004
  176   1HG1  ILE  18          2HG1      ILE  18   8.572   0.991  -9.706
  177   2HG1  ILE  18          3HG1      ILE  18   6.912   0.839 -10.303
  178   1HG2  ILE  18          3HG2      ILE  18   8.575   0.153  -6.591
  179   2HG2  ILE  18          1HG2      ILE  18   8.579   1.791  -7.222
  180   3HG2  ILE  18          2HG2      ILE  18   7.257   1.256  -6.179
  181   1HD1  ILE  18          1HD1      ILE  18   6.316   2.921  -9.011
  182   2HD1  ILE  18          2HD1      ILE  18   8.059   3.202  -8.811
  183   3HD1  ILE  18          3HD1      ILE  18   7.359   3.120 -10.432
  184    QG1  ILE  18           QG1      ILE  18   7.742   0.915 -10.005
  185    QG2  ILE  18           QG2      ILE  18   8.137   1.067  -6.664
  186    QD1  ILE  18           QD1      ILE  18   7.245   3.081  -9.418
  187    H    ILE  19           HN       ILE  19   8.442  -2.876  -6.952
  188    HA   ILE  19           HA       ILE  19   6.246  -3.910  -5.503
  189    HB   ILE  19           HB       ILE  19   9.173  -3.761  -4.702
  190   1HG1  ILE  19          2HG1      ILE  19   8.777  -4.976  -6.848
  191   2HG1  ILE  19          3HG1      ILE  19   9.427  -5.978  -5.562
  192   1HG2  ILE  19          2HG2      ILE  19   6.861  -5.372  -3.539
  193   2HG2  ILE  19          3HG2      ILE  19   8.577  -5.749  -3.246
  194   3HG2  ILE  19          1HG2      ILE  19   7.906  -4.206  -2.706
  195   1HD1  ILE  19          1HD1      ILE  19   6.488  -5.936  -6.376
  196   2HD1  ILE  19          2HD1      ILE  19   7.689  -7.136  -6.875
  197   3HD1  ILE  19          3HD1      ILE  19   7.238  -7.007  -5.170
  198    QG1  ILE  19           QG1      ILE  19   9.102  -5.477  -6.205
  199    QG2  ILE  19           QG2      ILE  19   7.782  -5.109  -3.164
  200    QD1  ILE  19           QD1      ILE  19   7.138  -6.693  -6.140
  201    H    ARG  20           HN       ARG  20   5.066  -3.131  -3.874
  202    HA   ARG  20           HA       ARG  20   6.015  -0.919  -2.158
  203   1HB   ARG  20          2HB       ARG  20   3.617  -1.006  -4.039
  204   2HB   ARG  20          3HB       ARG  20   3.496  -0.074  -2.552
  205   1HG   ARG  20          2HG       ARG  20   5.617   0.364  -4.710
  206   2HG   ARG  20          3HG       ARG  20   4.157   1.340  -4.419
  207   1HD   ARG  20          2HD       ARG  20   4.984   1.512  -2.019
  208   2HD   ARG  20          3HD       ARG  20   6.609   1.099  -2.610
  209    HE   ARG  20           HE       ARG  20   5.985   3.104  -4.277
  210   1HH1  ARG  20          2HH2      ARG  20   5.708   2.783  -0.781
  211   2HH1  ARG  20          1HH2      ARG  20   5.471   4.473  -0.466
  212   1HH2  ARG  20          2HH1      ARG  20   6.072   5.404  -3.877
  213   2HH2  ARG  20          1HH1      ARG  20   5.996   6.007  -2.253
  214    QB   ARG  20           QB       ARG  20   3.557  -0.540  -3.295
  215    QG   ARG  20           QG       ARG  20   4.887   0.852  -4.564
  216    QD   ARG  20           QD       ARG  20   5.796   1.306  -2.315
  217    QH1  ARG  20           QH2      ARG  20   5.589   3.628  -0.623
  218    QH2  ARG  20           QH1      ARG  20   6.034   5.705  -3.065
  219    H    TYR  21           HN       TYR  21   4.225  -0.562  -0.387
  220    HA   TYR  21           HA       TYR  21   3.123  -3.193   0.373
  221   1HB   TYR  21          2HB       TYR  21   4.311  -1.396   2.447
  222   2HB   TYR  21          3HB       TYR  21   3.849  -3.048   2.608
  223    HD1  TYR  21           HD1      TYR  21   6.412  -1.205   0.439
  224    HD2  TYR  21           HD2      TYR  21   5.634  -4.379   3.250
  225    HE1  TYR  21           HE1      TYR  21   8.554  -2.254  -0.159
  226    HE2  TYR  21           HE2      TYR  21   7.913  -5.247   2.863
  227    HH   TYR  21           HH       TYR  21   9.751  -5.205   1.474
  228    QB   TYR  21           QB       TYR  21   4.080  -2.222   2.527
  229    QR   TYR  21           QR       TYR  21   7.128  -3.271   1.598
  230    H    PHE  22           HN       PHE  22   1.593  -3.034   2.144
  231    HA   PHE  22           HA       PHE  22   0.058  -0.566   2.419
  232   1HB   PHE  22          2HB       PHE  22  -1.960  -1.282   1.474
  233   2HB   PHE  22          3HB       PHE  22  -0.821  -1.360   0.188
  234    HD1  PHE  22          2HD       PHE  22   0.359  -4.024   0.264
  235    HD2  PHE  22          1HD       PHE  22  -3.641  -2.825   1.355
  236    HE1  PHE  22          2HE       PHE  22  -0.455  -6.311  -0.189
  237    HE2  PHE  22          1HE       PHE  22  -4.447  -5.102   0.860
  238    HZ   PHE  22           HZ       PHE  22  -2.862  -6.856   0.070
  239    QB   PHE  22           QB       PHE  22  -1.391  -1.321   0.831
  240    QR   PHE  22           QR       PHE  22  -2.046  -4.565   0.572
  241    H    TYR  23           HN       TYR  23  -1.441  -0.761   4.165
  242    HA   TYR  23           HA       TYR  23  -1.262  -3.141   5.873
  243   1HB   TYR  23          2HB       TYR  23  -1.628  -0.858   6.791
  244   2HB   TYR  23          3HB       TYR  23  -3.163  -0.816   5.930
  245    HD1  TYR  23           HD1      TYR  23  -1.214  -2.768   8.479
  246    HD2  TYR  23           HD2      TYR  23  -5.138  -1.772   6.988
  247    HE1  TYR  23           HE1      TYR  23  -2.223  -3.615  10.568
  248    HE2  TYR  23           HE2      TYR  23  -6.143  -2.558   9.113
  249    HH   TYR  23           HH       TYR  23  -4.194  -4.140  11.651
  250    QB   TYR  23           QB       TYR  23  -2.395  -0.837   6.360
  251    QR   TYR  23           QR       TYR  23  -3.680  -2.678   8.787
  252    H    ASN  24           HN       ASN  24  -2.311  -4.957   5.343
  253    HA   ASN  24           HA       ASN  24  -4.654  -4.896   3.489
  254   1HB   ASN  24          2HB       ASN  24  -2.966  -6.467   2.973
  255   2HB   ASN  24          3HB       ASN  24  -2.943  -7.129   4.620
  256   1HD2  ASN  24          2HD2      ASN  24  -4.761  -9.594   2.668
  257   2HD2  ASN  24          1HD2      ASN  24  -3.126  -9.043   2.996
  258    QB   ASN  24           QB       ASN  24  -2.955  -6.798   3.796
  259    QD2  ASN  24           QD2      ASN  24  -3.944  -9.318   2.832
  260    H    ALA  25           HN       ALA  25  -6.255  -4.067   4.840
  261    HA   ALA  25           HA       ALA  25  -7.001  -4.706   7.398
  262   1HB   ALA  25          3HB       ALA  25  -8.160  -3.128   5.951
  263   2HB   ALA  25          1HB       ALA  25  -8.760  -4.449   4.926
  264   3HB   ALA  25          2HB       ALA  25  -9.309  -4.314   6.611
  265    QB   ALA  25           QB       ALA  25  -8.743  -3.964   5.829
  266    H    LYS  26           HN       LYS  26  -6.856  -7.043   4.704
  267    HA   LYS  26           HA       LYS  26  -8.988  -8.698   5.862
  268   1HB   LYS  26          2HB       LYS  26  -8.292  -8.598   3.418
  269   2HB   LYS  26          3HB       LYS  26  -6.924  -9.644   3.869
  270   1HG   LYS  26          2HG       LYS  26  -8.653 -11.200   4.940
  271   2HG   LYS  26          3HG       LYS  26  -9.910 -10.257   4.153
  272   1HD   LYS  26          2HD       LYS  26  -7.608 -11.677   2.693
  273   2HD   LYS  26          3HD       LYS  26  -9.158 -12.418   3.058
  274   1HE   LYS  26          2HE       LYS  26  -9.260 -11.738   0.793
  275   2HE   LYS  26          3HE       LYS  26 -10.362 -10.710   1.715
  276   1HZ   LYS  26          1HZ       LYS  26  -7.647  -9.937   0.846
  277   2HZ   LYS  26          2HZ       LYS  26  -9.041  -9.505   0.096
  278   3HZ   LYS  26          3HZ       LYS  26  -8.730  -8.965   1.612
  279    QB   LYS  26           QB       LYS  26  -7.608  -9.121   3.644
  280    QG   LYS  26           QG       LYS  26  -9.282 -10.728   4.546
  281    QD   LYS  26           QD       LYS  26  -8.383 -12.048   2.876
  282    QE   LYS  26           QE       LYS  26  -9.811 -11.224   1.254
  283    QZ   LYS  26           QZ       LYS  26  -8.472  -9.469   0.851
  284    H    ALA  27           HN       ALA  27  -5.506  -8.330   6.220
  285    HA   ALA  27           HA       ALA  27  -5.332 -10.755   7.981
  286   1HB   ALA  27          2HB       ALA  27  -3.733 -10.624   6.100
  287   2HB   ALA  27          3HB       ALA  27  -3.167  -9.049   6.720
  288   3HB   ALA  27          1HB       ALA  27  -2.920 -10.524   7.676
  289    QB   ALA  27           QB       ALA  27  -3.273 -10.065   6.832
  290    H    GLY  28           HN       GLY  28  -5.311  -7.258   7.885
  291   1HA   GLY  28          1HA       GLY  28  -5.133  -5.681   9.498
  292   2HA   GLY  28          2HA       GLY  28  -5.101  -6.929  10.757
  293    QA   GLY  28           QA       GLY  28  -5.117  -6.305  10.127
  294    H    LEU  29           HN       LEU  29  -2.918  -6.687   7.914
  295    HA   LEU  29           HA       LEU  29  -0.588  -6.071   9.615
  296   1HB   LEU  29          2HB       LEU  29  -1.368  -8.719   9.178
  297   2HB   LEU  29          3HB       LEU  29  -0.275  -8.452   7.835
  298    HG   LEU  29           HG       LEU  29   0.832  -9.495   9.685
  299   1HD1  LEU  29          1HD1      LEU  29   2.132  -7.779   8.346
  300   2HD1  LEU  29          2HD1      LEU  29   1.908  -6.663   9.726
  301   3HD1  LEU  29          3HD1      LEU  29   2.774  -8.179   9.945
  302   1HD2  LEU  29          1HD2      LEU  29  -0.656  -8.637  11.495
  303   2HD2  LEU  29          2HD2      LEU  29   1.071  -8.566  11.886
  304   3HD2  LEU  29          3HD2      LEU  29   0.210  -7.086  11.443
  305    QB   LEU  29           QB       LEU  29  -0.821  -8.585   8.506
  306    QD1  LEU  29           QD1      LEU  29   2.272  -7.540   9.339
  307    QD2  LEU  29           QD2      LEU  29   0.208  -8.096  11.608
  308    QQD  LEU  29           QQD      LEU  29   1.240  -7.818  10.474
  309    H    CYS  30           HN       CYS  30   1.311  -5.503   8.330
  310    HA   CYS  30           HA       CYS  30   0.648  -4.166   5.827
  311   1HB   CYS  30          2HB       CYS  30   3.118  -4.365   7.544
  312   2HB   CYS  30          3HB       CYS  30   3.002  -3.385   6.081
  313    QB   CYS  30           QB       CYS  30   3.060  -3.875   6.812
  314    H    GLN  31           HN       GLN  31   0.970  -5.055   3.868
  315    HA   GLN  31           HA       GLN  31   2.840  -7.365   3.545
  316   1HB   GLN  31          2HB       GLN  31  -0.116  -7.177   2.879
  317   2HB   GLN  31          3HB       GLN  31   0.945  -8.219   1.923
  318   1HG   GLN  31          2HG       GLN  31   1.592  -9.537   3.797
  319   2HG   GLN  31          3HG       GLN  31   0.863  -8.412   4.953
  320   1HE2  GLN  31          2HE2      GLN  31  -2.351  -9.800   4.760
  321   2HE2  GLN  31          1HE2      GLN  31  -1.353  -8.481   5.355
  322    QB   GLN  31           QB       GLN  31   0.415  -7.698   2.401
  323    QG   GLN  31           QG       GLN  31   1.228  -8.974   4.375
  324    QE2  GLN  31           QE2      GLN  31  -1.852  -9.140   5.057
  325    H    THR  32           HN       THR  32   3.165  -7.775   1.187
  326    HA   THR  32           HA       THR  32   3.936  -5.218  -0.024
  327    HB   THR  32           HB       THR  32   5.451  -6.474  -1.364
  328    HG1  THR  32          1HG       THR  32   4.094  -8.790  -0.428
  329   1HG2  THR  32          3HG2      THR  32   6.043  -6.172   1.054
  330   2HG2  THR  32          1HG2      THR  32   5.483  -7.821   1.380
  331   3HG2  THR  32          2HG2      THR  32   6.844  -7.550   0.279
  332    QG2  THR  32           QG2      THR  32   6.123  -7.181   0.905
  333    H    PHE  33           HN       PHE  33   3.616  -4.907  -2.430
  334    HA   PHE  33           HA       PHE  33   1.984  -6.720  -3.917
  335   1HB   PHE  33          2HB       PHE  33   0.077  -5.427  -4.353
  336   2HB   PHE  33          3HB       PHE  33   0.221  -5.398  -2.612
  337    HD1  PHE  33          2HD       PHE  33   1.528  -3.281  -1.606
  338    HD2  PHE  33          1HD       PHE  33  -0.264  -3.420  -5.521
  339    HE1  PHE  33          2HE       PHE  33   1.129  -0.823  -1.532
  340    HE2  PHE  33          1HE       PHE  33  -0.573  -0.973  -5.475
  341    HZ   PHE  33           HZ       PHE  33   0.075   0.323  -3.448
  342    QB   PHE  33           QB       PHE  33   0.149  -5.412  -3.483
  343    QR   PHE  33           QR       PHE  33   0.455  -2.124  -3.534
  344    H    VAL  34           HN       VAL  34   1.563  -5.573  -6.196
  345    HA   VAL  34           HA       VAL  34   4.064  -4.151  -6.971
  346    HB   VAL  34           HB       VAL  34   1.936  -5.539  -8.657
  347   1HG1  VAL  34          3HG1      VAL  34   4.572  -4.189  -9.355
  348   2HG1  VAL  34          1HG1      VAL  34   3.568  -5.109 -10.510
  349   3HG1  VAL  34          2HG1      VAL  34   2.973  -3.597  -9.846
  350   1HG2  VAL  34          1HG2      VAL  34   4.818  -6.323  -8.013
  351   2HG2  VAL  34          2HG2      VAL  34   3.369  -7.151  -7.410
  352   3HG2  VAL  34          3HG2      VAL  34   3.739  -7.168  -9.138
  353    QG1  VAL  34           QG1      VAL  34   3.705  -4.298  -9.903
  354    QG2  VAL  34           QG2      VAL  34   3.976  -6.881  -8.187
  355    QQG  VAL  34           QQG      VAL  34   3.840  -5.589  -9.045
  356    H    TYR  35           HN       TYR  35   3.945  -1.986  -7.382
  357    HA   TYR  35           HA       TYR  35   1.277  -0.746  -7.909
  358   1HB   TYR  35          2HB       TYR  35   2.163  -0.098  -5.740
  359   2HB   TYR  35          3HB       TYR  35   3.759   0.180  -6.435
  360    HD1  TYR  35           HD1      TYR  35   0.214   1.388  -6.690
  361    HD2  TYR  35           HD2      TYR  35   4.400   2.342  -7.056
  362    HE1  TYR  35           HE1      TYR  35  -0.358   3.745  -7.313
  363    HE2  TYR  35           HE2      TYR  35   3.809   4.697  -7.558
  364    HH   TYR  35           HH       TYR  35   2.143   6.129  -8.167
  365    QB   TYR  35           QB       TYR  35   2.961   0.041  -6.088
  366    QR   TYR  35           QR       TYR  35   2.016   3.043  -7.154
  367    H    GLY  36           HN       GLY  36   1.143   0.658  -9.597
  368   1HA   GLY  36          1HA       GLY  36   2.979   0.444 -11.750
  369   2HA   GLY  36          2HA       GLY  36   1.634   1.570 -11.648
  370    QA   GLY  36           QA       GLY  36   2.307   1.007 -11.699
  371    H    GLY  37           HN       GLY  37   1.999   3.678 -10.576
  372   1HA   GLY  37          1HA       GLY  37   4.654   4.558  -9.870
  373   2HA   GLY  37          2HA       GLY  37   4.368   4.833 -11.595
  374    QA   GLY  37           QA       GLY  37   4.511   4.696 -10.733
  375    H    CYS  38           HN       CYS  38   1.802   5.588 -11.752
  376    HA   CYS  38           HA       CYS  38   1.618   8.126 -10.225
  377   1HB   CYS  38          2HB       CYS  38   0.278   8.924 -12.145
  378   2HB   CYS  38          3HB       CYS  38   1.970   8.623 -12.532
  379    QB   CYS  38           QB       CYS  38   1.124   8.773 -12.339
  380    H    ARG  39           HN       ARG  39  -0.464   8.841  -9.714
  381    HA   ARG  39           HA       ARG  39  -2.420   8.704  -8.626
  382   1HB   ARG  39          2HB       ARG  39  -2.994   6.190 -10.215
  383   2HB   ARG  39          3HB       ARG  39  -4.154   7.068  -9.246
  384   1HG   ARG  39          2HG       ARG  39  -2.684   8.540 -11.457
  385   2HG   ARG  39          3HG       ARG  39  -4.021   7.464 -11.832
  386   1HD   ARG  39          2HD       ARG  39  -4.658   9.313  -9.619
  387   2HD   ARG  39          3HD       ARG  39  -4.289  10.146 -11.110
  388    HE   ARG  39           HE       ARG  39  -6.599   8.458 -10.517
  389   1HH1  ARG  39          2HH2      ARG  39  -4.595   9.709 -13.127
  390   2HH1  ARG  39          1HH2      ARG  39  -5.818   9.608 -14.355
  391   1HH2  ARG  39          2HH1      ARG  39  -8.248   8.225 -12.143
  392   2HH2  ARG  39          1HH1      ARG  39  -7.936   8.712 -13.774
  393    QB   ARG  39           QB       ARG  39  -3.574   6.629  -9.731
  394    QG   ARG  39           QG       ARG  39  -3.352   8.002 -11.644
  395    QD   ARG  39           QD       ARG  39  -4.473   9.730 -10.365
  396    QH1  ARG  39           QH2      ARG  39  -5.206   9.658 -13.741
  397    QH2  ARG  39           QH1      ARG  39  -8.092   8.468 -12.958
  398    H    ALA  40           HN       ALA  40  -0.216   7.957  -7.299
  399    HA   ALA  40           HA       ALA  40  -0.409   5.436  -5.982
  400   1HB   ALA  40          2HB       ALA  40   1.637   6.771  -5.896
  401   2HB   ALA  40          3HB       ALA  40   0.781   8.015  -4.961
  402   3HB   ALA  40          1HB       ALA  40   1.016   6.380  -4.286
  403    QB   ALA  40           QB       ALA  40   1.145   7.055  -5.048
  404    H    LYS  41           HN       LYS  41  -1.643   4.739  -4.353
  405    HA   LYS  41           HA       LYS  41  -3.642   6.550  -3.141
  406   1HB   LYS  41          2HB       LYS  41  -3.142   3.535  -3.037
  407   2HB   LYS  41          3HB       LYS  41  -4.339   4.352  -2.052
  408   1HG   LYS  41          2HG       LYS  41  -4.295   4.301  -5.087
  409   2HG   LYS  41          3HG       LYS  41  -5.376   3.406  -3.995
  410   1HD   LYS  41          2HD       LYS  41  -5.981   5.767  -3.024
  411   2HD   LYS  41          3HD       LYS  41  -5.271   6.402  -4.542
  412   1HE   LYS  41          2HE       LYS  41  -6.803   4.940  -5.828
  413   2HE   LYS  41          3HE       LYS  41  -7.516   4.371  -4.296
  414   1HZ   LYS  41          2HZ       LYS  41  -7.552   7.161  -5.240
  415   2HZ   LYS  41          3HZ       LYS  41  -8.829   6.122  -5.273
  416   3HZ   LYS  41          1HZ       LYS  41  -8.201   6.602  -3.831
  417    QB   LYS  41           QB       LYS  41  -3.741   3.943  -2.544
  418    QG   LYS  41           QG       LYS  41  -4.835   3.854  -4.541
  419    QD   LYS  41           QD       LYS  41  -5.626   6.084  -3.783
  420    QE   LYS  41           QE       LYS  41  -7.159   4.655  -5.062
  421    QZ   LYS  41           QZ       LYS  41  -8.194   6.628  -4.781
  422    H    ARG  42           HN       ARG  42  -3.938   5.954  -0.704
  423    HA   ARG  42           HA       ARG  42  -1.538   7.274   0.417
  424   1HB   ARG  42          2HB       ARG  42  -4.327   6.685   1.442
  425   2HB   ARG  42          3HB       ARG  42  -3.034   7.417   2.436
  426   1HG   ARG  42          2HG       ARG  42  -2.848   9.284   0.928
  427   2HG   ARG  42          3HG       ARG  42  -4.059   8.602  -0.173
  428   1HD   ARG  42          2HD       ARG  42  -5.795   8.750   1.474
  429   2HD   ARG  42          3HD       ARG  42  -4.642   9.214   2.751
  430    HE   ARG  42           HE       ARG  42  -4.242  11.183   0.944
  431   1HH1  ARG  42          2HH2      ARG  42  -7.181   9.954   2.479
  432   2HH1  ARG  42          1HH2      ARG  42  -8.008  11.473   2.491
  433   1HH2  ARG  42          2HH1      ARG  42  -5.287  13.242   1.009
  434   2HH2  ARG  42          1HH1      ARG  42  -6.891  13.391   1.646
  435    QB   ARG  42           QB       ARG  42  -3.681   7.051   1.939
  436    QG   ARG  42           QG       ARG  42  -3.453   8.943   0.377
  437    QD   ARG  42           QD       ARG  42  -5.219   8.982   2.113
  438    QH1  ARG  42           QH2      ARG  42  -7.594  10.713   2.485
  439    QH2  ARG  42           QH1      ARG  42  -6.089  13.317   1.328
  440    H    ASN  43           HN       ASN  43  -3.352   4.210   0.654
  441    HA   ASN  43           HA       ASN  43  -1.729   3.098   2.748
  442   1HB   ASN  43          2HB       ASN  43  -4.084   2.601   2.080
  443   2HB   ASN  43          3HB       ASN  43  -3.480   1.748   0.640
  444   1HD2  ASN  43          2HD2      ASN  43  -4.233  -0.909   3.012
  445   2HD2  ASN  43          1HD2      ASN  43  -4.909   0.061   1.690
  446    QB   ASN  43           QB       ASN  43  -3.782   2.174   1.360
  447    QD2  ASN  43           QD2      ASN  43  -4.571  -0.424   2.351
  448    H    ASN  44           HN       ASN  44   0.253   3.990   1.244
  449    HA   ASN  44           HA       ASN  44   1.333   1.790  -0.509
  450   1HB   ASN  44          2HB       ASN  44   0.997   4.734  -1.169
  451   2HB   ASN  44          3HB       ASN  44   2.144   3.683  -1.991
  452   1HD2  ASN  44          2HD2      ASN  44  -0.224   2.752  -4.370
  453   2HD2  ASN  44          1HD2      ASN  44   1.375   3.377  -4.038
  454    QB   ASN  44           QB       ASN  44   1.571   4.209  -1.580
  455    QD2  ASN  44           QD2      ASN  44   0.575   3.064  -4.204
  456    H    PHE  45           HN       PHE  45   2.781   1.283   1.240
  457    HA   PHE  45           HA       PHE  45   4.643   3.461   2.131
  458   1HB   PHE  45          2HB       PHE  45   4.218   0.723   3.346
  459   2HB   PHE  45          3HB       PHE  45   5.012   2.113   4.068
  460    HD1  PHE  45          2HD       PHE  45   3.660   4.264   4.444
  461    HD2  PHE  45          1HD       PHE  45   1.819   0.491   3.491
  462    HE1  PHE  45          2HE       PHE  45   1.498   5.125   5.197
  463    HE2  PHE  45          1HE       PHE  45  -0.288   1.251   4.552
  464    HZ   PHE  45           HZ       PHE  45  -0.468   3.519   5.455
  465    QB   PHE  45           QB       PHE  45   4.615   1.418   3.707
  466    QR   PHE  45           QR       PHE  45   1.672   2.783   4.421
  467    H    LYS  46           HN       LYS  46   6.957   2.462   2.739
  468    HA   LYS  46           HA       LYS  46   7.884   0.880   0.388
  469   1HB   LYS  46          2HB       LYS  46   8.815   2.986   0.236
  470   2HB   LYS  46          3HB       LYS  46   8.980   3.205   1.987
  471   1HG   LYS  46          2HG       LYS  46  10.786   1.789   2.166
  472   2HG   LYS  46          3HG       LYS  46  10.499   1.062   0.557
  473   1HD   LYS  46          2HD       LYS  46  11.179   3.049  -0.602
  474   2HD   LYS  46          3HD       LYS  46  11.331   3.977   0.891
  475   1HE   LYS  46          2HE       LYS  46  12.989   1.470   0.269
  476   2HE   LYS  46          3HE       LYS  46  13.511   3.099  -0.177
  477   1HZ   LYS  46          3HZ       LYS  46  12.969   2.216   2.580
  478   2HZ   LYS  46          1HZ       LYS  46  14.452   2.403   1.905
  479   3HZ   LYS  46          2HZ       LYS  46  13.484   3.713   2.127
  480    QB   LYS  46           QB       LYS  46   8.897   3.095   1.111
  481    QG   LYS  46           QG       LYS  46  10.642   1.425   1.362
  482    QD   LYS  46           QD       LYS  46  11.255   3.513   0.145
  483    QE   LYS  46           QE       LYS  46  13.250   2.284   0.046
  484    QZ   LYS  46           QZ       LYS  46  13.635   2.777   2.204
  485    H    SER  47           HN       SER  47   7.358   0.798   3.860
  486    HA   SER  47           HA       SER  47   8.665  -1.820   3.923
  487   1HB   SER  47          2HB       SER  47   9.912  -1.373   5.949
  488   2HB   SER  47          3HB       SER  47  10.409  -0.190   4.727
  489    HG   SER  47           HG       SER  47  10.017   0.879   6.673
  490    QB   SER  47           QB       SER  47  10.161  -0.781   5.338
  491    H    ALA  48           HN       ALA  48   7.890  -3.116   5.689
  492    HA   ALA  48           HA       ALA  48   5.194  -2.602   6.469
  493   1HB   ALA  48          3HB       ALA  48   7.194  -4.556   7.659
  494   2HB   ALA  48          1HB       ALA  48   5.459  -4.497   8.017
  495   3HB   ALA  48          2HB       ALA  48   5.999  -4.888   6.377
  496    QB   ALA  48           QB       ALA  48   6.217  -4.647   7.351
  497    H    GLU  49           HN       GLU  49   8.358  -1.870   8.033
  498    HA   GLU  49           HA       GLU  49   7.357  -1.012  10.523
  499   1HB   GLU  49          2HB       GLU  49   9.806  -1.061  10.040
  500   2HB   GLU  49          3HB       GLU  49   9.610   0.314   8.939
  501   1HG   GLU  49          2HG       GLU  49   8.562   1.620  10.891
  502   2HG   GLU  49          3HG       GLU  49   9.037   0.254  11.919
  503    QB   GLU  49           QB       GLU  49   9.708  -0.374   9.489
  504    QG   GLU  49           QG       GLU  49   8.800   0.937  11.405
  505    H    ASP  50           HN       ASP  50   7.869   0.931   7.554
  506    HA   ASP  50           HA       ASP  50   6.844   3.355   8.575
  507   1HB   ASP  50          2HB       ASP  50   8.230   3.236   6.568
  508   2HB   ASP  50          3HB       ASP  50   7.073   2.170   5.755
  509    QB   ASP  50           QB       ASP  50   7.651   2.703   6.161
  510    H    CYS  51           HN       CYS  51   5.222   0.892   6.637
  511    HA   CYS  51           HA       CYS  51   2.591   1.899   6.612
  512   1HB   CYS  51          2HB       CYS  51   3.285  -0.055   5.338
  513   2HB   CYS  51          3HB       CYS  51   3.727  -0.908   6.783
  514    QB   CYS  51           QB       CYS  51   3.506  -0.482   6.060
  515    H    MET  52           HN       MET  52   4.012  -0.301   9.101
  516    HA   MET  52           HA       MET  52   1.634  -0.335  10.656
  517   1HB   MET  52          2HB       MET  52   4.016  -1.718  10.714
  518   2HB   MET  52          3HB       MET  52   4.218  -0.709  12.121
  519   1HG   MET  52          2HG       MET  52   3.186  -2.777  12.802
  520   2HG   MET  52          3HG       MET  52   1.991  -1.483  12.963
  521   1HE   MET  52          1HE       MET  52   1.199  -4.522  13.146
  522   2HE   MET  52          2HE       MET  52  -0.010  -3.215  13.201
  523   3HE   MET  52          3HE       MET  52  -0.236  -4.589  12.096
  524    QB   MET  52           QB       MET  52   4.117  -1.213  11.418
  525    QG   MET  52           QG       MET  52   2.588  -2.130  12.882
  526    QE   MET  52           QE       MET  52   0.318  -4.109  12.814
  527    H    ARG  53           HN       ARG  53   4.587   1.608  10.891
  528    HA   ARG  53           HA       ARG  53   4.017   3.085  13.229
  529   1HB   ARG  53          2HB       ARG  53   6.189   3.088  12.066
  530   2HB   ARG  53          3HB       ARG  53   5.471   3.967  10.706
  531   1HG   ARG  53          2HG       ARG  53   4.944   5.874  12.249
  532   2HG   ARG  53          3HG       ARG  53   5.756   5.008  13.566
  533   1HD   ARG  53          2HD       ARG  53   7.012   5.802  10.893
  534   2HD   ARG  53          3HD       ARG  53   7.186   6.751  12.356
  535    HE   ARG  53           HE       ARG  53   8.532   4.208  11.654
  536   1HH1  ARG  53          2HH2      ARG  53   7.734   6.392  14.335
  537   2HH1  ARG  53          1HH2      ARG  53   9.099   5.939  15.294
  538   1HH2  ARG  53          2HH1      ARG  53  10.327   3.577  12.890
  539   2HH2  ARG  53          1HH1      ARG  53  10.558   4.252  14.471
  540    QB   ARG  53           QB       ARG  53   5.830   3.527  11.386
  541    QG   ARG  53           QG       ARG  53   5.350   5.441  12.907
  542    QD   ARG  53           QD       ARG  53   7.099   6.276  11.624
  543    QH1  ARG  53           QH2      ARG  53   8.417   6.166  14.815
  544    QH2  ARG  53           QH1      ARG  53  10.443   3.915  13.680
  545    H    THR  54           HN       THR  54   3.153   3.736   9.797
  546    HA   THR  54           HA       THR  54   1.740   6.144  10.263
  547    HB   THR  54           HB       THR  54   1.384   4.031   8.083
  548    HG1  THR  54          1HG       THR  54   3.406   4.910   7.997
  549   1HG2  THR  54          2HG2      THR  54   0.320   6.873   8.325
  550   2HG2  THR  54          3HG2      THR  54   0.418   6.010   6.798
  551   3HG2  THR  54          1HG2      THR  54  -0.619   5.378   8.074
  552    QG2  THR  54           QG2      THR  54   0.040   6.087   7.732
  553    H    CYS  55           HN       CYS  55   0.494   2.776  10.069
  554    HA   CYS  55           HA       CYS  55  -2.248   3.837  10.533
  555   1HB   CYS  55          2HB       CYS  55  -1.691   2.464   8.621
  556   2HB   CYS  55          3HB       CYS  55  -1.348   1.074   9.676
  557    QB   CYS  55           QB       CYS  55  -1.520   1.769   9.148
  558    H    GLY  56           HN       GLY  56  -0.045   1.591  12.187
  559   1HA   GLY  56          1HA       GLY  56  -0.078   0.703  14.270
  560   2HA   GLY  56          2HA       GLY  56  -0.636   2.329  14.668
  561    QA   GLY  56           QA       GLY  56  -0.357   1.516  14.469
  562    H    GLY  57           HN       GLY  57  -2.874   2.633  15.242
  563   1HA   GLY  57          1HA       GLY  57  -4.863   0.630  15.306
  564   2HA   GLY  57          2HA       GLY  57  -3.872   0.453  16.761
  565    QA   GLY  57           QA       GLY  57  -4.367   0.541  16.033
  566    H    ALA  58           HN       ALA  58  -4.699   1.468  18.439
  567    HA   ALA  58           HA       ALA  58  -5.895   4.133  18.302
  568   1HB   ALA  58          1HB       ALA  58  -6.669   1.816  20.154
  569   2HB   ALA  58          2HB       ALA  58  -7.204   3.498  20.314
  570   3HB   ALA  58          3HB       ALA  58  -7.730   2.529  18.919
  571    QB   ALA  58           QB       ALA  58  -7.201   2.614  19.796
   
  No H/Q in entry =         571
   
  No H/Q in entry =         571