*HEADER    ANTIMICROBIAL PROTEIN                   02-APR-19   6R96              
*TITLE     THE SOLUTION NMR STRUCTURE OF CIS-DICARBA-BREVININ-1BYA IN SODIUM     
*TITLE    2 DODECYL SULPHATE MICELLES                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BREVININ-1BYA;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 OTHER_DETAILS: AGL = ALLYLGLYCINE AN INTRAMOLECULAR VINYLIC BOND     
*COMPND   6 EXISTS BETWEEN THE RESIDUES AGL-18 AND AGL-24.                       
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: RANA BOYLII;                                    
*SOURCE   4 ORGANISM_COMMON: FOOTHILL YELLOW-LEGGED FROG;                        
*SOURCE   5 ORGANISM_TAXID: 160499                                               
*KEYWDS    CATIONIC, RANA-BOX, ANTIMICROBIAL PEPTIDE, ANTIMICROBIAL PROTEIN      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.B.TIMMONS,D.P.O'FLYNN,J.M.CONLON,C.M.HEWAGE                         
*REVDAT   2   15-NOV-23 6R96    1
*REVDAT   1   25-SEP-19 6R96    0                                                
# Restraints file 1: brevinin_1BYa_DCB_SDS-in.upl
 23 LYS  H      23 LYS  HA      4.18            #peak 1
  8 LEU  H       8 LEU  QB      3.58            #peak 2
  8 LEU  H       8 LEU  HA      2.40            #peak 3
  9 ALA  H       9 ALA  HA      4.45            #peak 4
  9 ALA  H       9 ALA  QB      3.75            #peak 5
 16 LEU  H      16 LEU  HA      2.40            #peak 6
 16 LEU  H      16 LEU  QB      3.69            #peak 7
 16 LEU  HA     16 LEU  QD1     2.40            #peak 8
 22 LYS  H      22 LYS  HA      3.69            #peak 9
 22 LYS  H      22 LYS  QG      4.25            #peak 10
  7 SER  H       7 SER  QB      3.59            #peak 11
  7 SER  H       7 SER  HA      3.96            #peak 12
 21 THR  H      21 THR  HA      4.32            #peak 13
 15 LYS  H      15 LYS  HB2     3.14            #peak 14
 15 LYS  H      15 LYS  HA      3.73            #peak 15
 15 LYS  H      15 LYS  HB3     3.05            #peak 16
 15 LYS  H      15 LYS  QG      3.60            #peak 17
 15 LYS  H      15 LYS  QD      2.40            #peak 18
 10 ALA  H      10 ALA  HA      3.71            #peak 19
 10 ALA  H      10 ALA  QB      3.45            #peak 20
 11 LYS  H      11 LYS  HA      3.26            #peak 21
 11 LYS  H      11 LYS  HB2     2.71            #peak 22
 11 LYS  H      11 LYS  HB3     2.70            #peak 23
 11 LYS  HA     11 LYS  HB2     2.40            #peak 24
 11 LYS  HA     11 LYS  HB3     2.40            #peak 25
  4 ILE  H       4 ILE  HA      2.40            #peak 26
  4 ILE  H       4 ILE  HB      2.40            #peak 27
 20 VAL  H      20 VAL  HA      2.40            #peak 28
 20 VAL  HA     20 VAL  QG1     4.03            #peak 29
 20 VAL  HA     20 VAL  QG2     4.03            #peak 30
  5 LEU  H       5 LEU  HA      3.25            #peak 31
  5 LEU  H       5 LEU  HB2     2.40            #peak 32
  6 ALA  H       6 ALA  HA      3.58            #peak 33
 18 AGL  HA     18 AGL  HG      4.34            #peak 34
 18 AGL  H      18 AGL  HA      4.73            #peak 35
 18 AGL  H      18 AGL  HG      4.91            #peak 36
 24 AGL  HB3    24 AGL  HG      4.01            #peak 37
 24 AGL  HB2    24 AGL  HG      3.08            #peak 38
 18 AGL  HB3    18 AGL  HG      3.06            #peak 39
 18 AGL  HB2    18 AGL  HG      3.05            #peak 40
 18 AGL  HA     18 AGL  HB3     3.28            #peak 41
 18 AGL  HA     18 AGL  HB2     3.11            #peak 42
 18 AGL  H      18 AGL  HB2     3.23            #peak 43
 18 AGL  H      18 AGL  HB3     3.46            #peak 44
 24 AGL  HA     24 AGL  HG      4.91            #peak 45
 12 PHE  H      12 PHE  HB3     4.23            #peak 46
 17 PHE  HB3    18 AGL  H       3.48            #peak 47
 17 PHE  H      17 PHE  HB3     3.34            #peak 48
 17 PHE  H      17 PHE  HB2     3.18            #peak 49
 13 GLY  H      14 PRO  HD3     4.56            #peak 50
 17 PHE  H      17 PHE  HA      4.41            #peak 51
 16 LEU  QB     17 PHE  H       4.18            #peak 52
 14 PRO  HA     17 PHE  H       4.71            #peak 53
 13 GLY  H      13 GLY  HA2     4.30            #peak 54
 13 GLY  H      13 GLY  HA3     2.82            #peak 55
 13 GLY  H      14 PRO  HD2     2.72            #peak 56
 20 VAL  HA     21 THR  H       4.11            #peak 57
 12 PHE  QD     12 PHE  HB2     3.96            #peak 58
 17 PHE  HA     17 PHE  QD      4.42            #peak 59
  8 LEU  H       9 ALA  H       4.45            #peak 60
  9 ALA  H      10 ALA  H       4.57            #peak 61
 17 PHE  H      18 AGL  H       4.75            #peak 62
 16 LEU  H      17 PHE  H       4.63            #peak 63
  7 SER  H       8 LEU  H       4.18            #peak 64
 11 LYS  H      12 PHE  H       4.27            #peak 65
 10 ALA  H      11 LYS  H       4.45            #peak 66
 15 LYS  H      16 LEU  H       4.31            #peak 67
 12 PHE  H      12 PHE  QD      4.85            #peak 68
 21 THR  H      22 LYS  H       4.60            #peak 69
 22 LYS  H      23 LYS  H       4.35            #peak 70
 18 AGL  H      19 LEU  H       4.79            #peak 71
  4 ILE  H       5 LEU  H       3.06            #peak 72
 23 LYS  H      24 AGL  H       4.13            #peak 73
 12 PHE  H      13 GLY  H       4.43            #peak 74
 19 LEU  H      20 VAL  H       5.17            #peak 75
 20 VAL  H      21 THR  H       5.05            #peak 76
 11 LYS  H      13 GLY  H       5.23            #peak 77
  6 ALA  HA      9 ALA  H       4.42            #peak 78
 11 LYS  HA     12 PHE  H       4.90            #peak 79
  9 ALA  HA     13 GLY  H       4.45            #peak 80
  9 ALA  HA     10 ALA  H       5.24            #peak 81
  1 PHE  QD      1 PHE  QB      4.30            #peak 82
 17 PHE  HB2    18 AGL  H       3.75            #peak 83
 12 PHE  H      12 PHE  HB2     4.59            #peak 84
  8 LEU  QB      9 ALA  H       4.42            #peak 85
 20 VAL  H      20 VAL  HB      4.45            #peak 86
 19 LEU  HB2    20 VAL  H       4.53            #peak 87
  6 ALA  QB      7 SER  H       4.08            #peak 88
 11 LYS  HB3    12 PHE  H       4.10            #peak 89
 11 LYS  HB2    12 PHE  H       4.70            #peak 90
 23 LYS  H      23 LYS  HB2     4.36            #peak 91
 10 ALA  QB     11 LYS  H       2.79            #peak 92
 23 LYS  H      23 LYS  HB3     4.00            #peak 93
  5 LEU  H       5 LEU  HB3     2.40            #peak 94
  4 ILE  HA      4 ILE  HB      3.30            #peak 95
  3 PRO  HD3     3 PRO  HB3     2.40            #peak 96
 20 VAL  HA     20 VAL  HB      3.89            #peak 97
 14 PRO  HD3    14 PRO  HB2     4.40            #peak 98
 10 ALA  HA     10 ALA  QB      2.40            #peak 99
  9 ALA  HA      9 ALA  QB      3.53            #peak 100
  7 SER  HA     10 ALA  QB      4.42            #peak 101
  3 PRO  HD2     3 PRO  HB3     3.19            #peak 102
 14 PRO  HD2    14 PRO  HD3     3.65            #peak 103
 17 PHE  HA     17 PHE  HB2     3.40            #peak 104
 17 PHE  HA     17 PHE  HB3     3.42            #peak 105
 20 VAL  HA     20 VAL  QG1     3.97            #peak 106
 20 VAL  HA     20 VAL  QG2     3.92            #peak 107
 21 THR  HA     21 THR  QG2     3.97            #peak 108
 14 PRO  HD2    14 PRO  HB2     4.62            #peak 109
  3 PRO  HD2     3 PRO  HB2     4.42            #peak 110
  3 PRO  HD3     3 PRO  HB2     4.29            #peak 111
  3 PRO  HA      3 PRO  HB3     5.50            #peak 112
  3 PRO  HD2     3 PRO  QG      2.76            #peak 113
  3 PRO  HD3     3 PRO  QG      2.40            #peak 114
  3 PRO  HA      3 PRO  HB2     3.89            #peak 115
  3 PRO  HA      4 ILE  H       5.03            #peak 116
 14 PRO  HD2    14 PRO  QG      2.40            #peak 117
 14 PRO  HD3    14 PRO  QG      4.28            #peak 118
 14 PRO  QG     15 LYS  H       4.46            #peak 119
 14 PRO  HB2    15 LYS  H       5.50            #peak 120
 23 LYS  HB2    24 AGL  HG      4.78            #peak 121
  7 SER  H       8 LEU  H       4.06            #peak 122
 22 LYS  H      22 LYS  HA      4.09            #peak 123
  6 ALA  HA      7 SER  H       2.52            #peak 124
 12 PHE  HA     12 PHE  QD      4.72            #peak 125
 12 PHE  QD     12 PHE  HB3     3.81            #peak 126
 12 PHE  QE     12 PHE  HB3     2.80            #peak 127
 12 PHE  QE     12 PHE  HB2     5.19            #peak 128
 12 PHE  HB2    13 GLY  H       5.28            #peak 129
  3 PRO  HA      6 ALA  QB      4.28            #peak 130
 17 PHE  HA     20 VAL  QG1     4.23            #peak 131
 14 PRO  HD3    14 PRO  HD2     3.86            #peak 132
 11 LYS  QE     12 PHE  QE      3.20            #peak 133
 15 LYS  HA     18 AGL  HG      4.26            #peak 134
  8 LEU  H       9 ALA  H       4.43            #peak 135
 16 LEU  H      17 PHE  H       4.48            #peak 136
 17 PHE  H      18 AGL  H       4.81            #peak 137
  9 ALA  H      10 ALA  H       4.51            #peak 138
 21 THR  HA     21 THR  QG2     3.38            #peak 139
  1 PHE  HA      1 PHE  QB      4.35            #peak 140
  8 LEU  HA     11 LYS  H       4.11            #peak 141
  1 PHE  HA      1 PHE  QD      5.50            #peak 142
 15 LYS  HA     16 LEU  H       2.40            #peak 143
 15 LYS  HA     18 AGL  H       2.62            #peak 144
  5 LEU  H       7 SER  H       5.50            #peak 145
  9 ALA  H      11 LYS  H       5.50            #peak 146
 20 VAL  H      20 VAL  QG1     4.07            #peak 147
 20 VAL  H      20 VAL  QG2     3.89            #peak 148
  4 ILE  H       4 ILE  HG12    2.40            #peak 149
  4 ILE  H       4 ILE  QG2     2.54            #peak 150
 22 LYS  H      23 LYS  H       3.34            #peak 151
 20 VAL  H      21 THR  H       3.99            #peak 152
 20 VAL  H      20 VAL  HA      2.57            #peak 153
 21 THR  QG2    21 THR  HB      4.14            #peak 154
 21 THR  H      22 LYS  H       4.36            #peak 155
 19 LEU  H      19 LEU  QQD     4.02            #peak 156
  4 ILE  HA      4 ILE  QG2     2.97            #peak 157
  4 ILE  HA      4 ILE  HG13    4.68            #peak 158
  8 LEU  QD1    12 PHE  QD      2.55            #peak 159
  8 LEU  QD1    12 PHE  QE      2.60            #peak 160
  1 PHE  QD      2 LEU  QQD     2.42            #peak 161
 21 THR  H      21 THR  QG2     4.32            #peak 162
  4 ILE  QG2     5 LEU  H       4.20            #peak 163
  8 LEU  H       8 LEU  QD2     2.68            #peak 164
  8 LEU  H       8 LEU  QD1     2.40            #peak 165
  6 ALA  H       6 ALA  QB      3.38            #peak 166
 18 AGL  H      18 AGL  HG      4.70            #peak 167
 10 ALA  H      11 LYS  H       4.46            #peak 168
 11 LYS  H      12 PHE  H       4.45            #peak 169
 15 LYS  H      16 LEU  H       4.30            #peak 170
  5 LEU  H       6 ALA  H       3.27            #peak 171
  4 ILE  H       5 LEU  H       3.07            #peak 172
 23 LYS  H      24 AGL  H       4.38            #peak 173
  8 LEU  HA      8 LEU  QB      2.54            #peak 174
 11 LYS  HA     11 LYS  QD      2.49            #peak 175
  5 LEU  HA      5 LEU  HG      2.40            #peak 176
  2 LEU  QQD     3 PRO  HD3     2.40            #peak 177
 21 THR  HB     21 THR  QG2     4.12            #peak 178
  2 LEU  QQD     3 PRO  HD2     3.58            #peak 179
 17 PHE  HA     20 VAL  QG1     4.31            #peak 180
  7 SER  HA      7 SER  QB      4.36            #peak 181
  8 LEU  HA      8 LEU  HG      3.03            #peak 182
 23 LYS  HB3    24 AGL  HG      4.25            #peak 183
 17 PHE  QD     17 PHE  HB2     3.32            #peak 184
 17 PHE  QD     17 PHE  HB3     3.28            #peak 185
 20 VAL  HA     21 THR  H       4.04            #peak 186
 18 AGL  H      18 AGL  HB3     3.51            #peak 187
 22 LYS  QG     23 LYS  H       5.05            #peak 188
 23 LYS  H      23 LYS  QG      2.40            #peak 189
  4 ILE  HB      5 LEU  H       4.29            #peak 190
 10 ALA  QB     13 GLY  H       4.35            #peak 191
  5 LEU  HB2     8 LEU  H       2.40            #peak 192
  9 ALA  QB     12 PHE  H       4.50            #peak 193
  8 LEU  HG      9 ALA  H       2.93            #peak 194
  5 LEU  H       5 LEU  QD1     5.35            #peak 195
 18 AGL  H      19 LEU  H       2.60            #peak 196
 24 AGL  H      24 AGL  HG      4.77            #peak 197
 20 VAL  QG1    21 THR  H       4.32            #peak 198
 20 VAL  QG2    21 THR  H       3.35            #peak 199
 22 LYS  HA     23 LYS  H       2.40            #peak 200
 10 ALA  HA     11 LYS  H       2.93            #peak 201
  5 LEU  H       5 LEU  HG      2.40            #peak 202
 11 LYS  HB3    12 PHE  QE      4.02            #peak 203
 11 LYS  HB3    12 PHE  QD      4.17            #peak 204
 20 VAL  HB     21 THR  H       4.00            #peak 205
 17 PHE  HA     18 AGL  H       2.49            #peak 206
  7 SER  HA     10 ALA  H       3.67            #peak 207
 14 PRO  HA     15 LYS  H       4.98            #peak 208
 12 PHE  H      12 PHE  QD      4.46            #peak 209
  8 LEU  HA      9 ALA  H       4.83            #peak 210
 23 LYS  H      24 AGL  HG      5.37            #peak 211
  5 LEU  H       6 ALA  H       3.30            #peak 212
  6 ALA  QB      6 ALA  HA      2.40            #peak 213
  9 ALA  QB      9 ALA  HA      3.42            #peak 214
  7 SER  HA     10 ALA  QB      2.40            #peak 215
 22 LYS  QG     23 LYS  HA      4.30            #peak 216
  2 LEU  HA      2 LEU  QQD     4.67            #peak 217
 21 THR  HB     22 LYS  H       4.52            #peak 218
 23 LYS  HA     24 AGL  H       3.11            #peak 219
 21 THR  HA     22 LYS  H       2.94            #peak 220
 17 PHE  H      17 PHE  QD      4.47            #peak 221
  9 ALA  HA     12 PHE  H       2.65            #peak 222
  8 LEU  HA     12 PHE  H       3.52            #peak 223
 12 PHE  HB3    13 GLY  H       4.44            #peak 224
 10 ALA  H      10 ALA  HA      2.40            #peak 225
 14 PRO  HD3    15 LYS  H       4.75            #peak 226
 18 AGL  HG     19 LEU  H       5.50            #peak 227
 17 PHE  QD     18 AGL  H       5.07            #peak 228
 13 GLY  H      13 GLY  HA3     2.48            #peak 229
  9 ALA  H       9 ALA  HA      4.38            #peak 230
 17 PHE  H      17 PHE  HA      4.88            #peak 231
  7 SER  HA      8 LEU  H       4.38            #peak 232
  3 PRO  HD3     4 ILE  H       4.57            #peak 233
  2 LEU  HA      3 PRO  HD2     4.02            #peak 234
  2 LEU  HA      3 PRO  HD3     4.45            #peak 235
 13 GLY  HA3    14 PRO  HD3     5.29            #peak 236
 14 PRO  HA     14 PRO  HB2     4.35            #peak 237
  2 LEU  HG      3 PRO  HD3     4.24            #peak 238
  6 ALA  H       6 ALA  HA      3.04            #peak 239
  7 SER  H       7 SER  QB      2.51            #peak 240
 18 AGL  H      18 AGL  HA      3.68            #peak 241
 13 GLY  H      14 PRO  HD2     2.40            #peak 242
 17 PHE  HB3    18 AGL  H       4.26            #peak 243
 18 AGL  HA     23 LYS  H       3.04            #peak 244
 18 AGL  HA     18 AGL  HG      4.30            #peak 245
  6 ALA  HA      9 ALA  H       3.78            #peak 246
  3 PRO  HD2     3 PRO  HD3     3.72            #peak 247
 24 AGL  H      24 AGL  HA      5.23            #peak 248
  8 LEU  H       8 LEU  HG      2.80            #peak 249
 17 PHE  QD     21 THR  QG2     4.73            #peak 250
 19 LEU  H      19 LEU  HA      2.40            #peak 251
 18 AGL  HG     24 AGL  HG      2.81            #peak 252
  6 ALA  HA      7 SER  H       3.61            #peak 253
  4 ILE  HB      7 SER  H       3.66            #peak 254
 10 ALA  H      10 ALA  QB      2.74            #peak 255
  5 LEU  HA      8 LEU  H       2.48            #peak 256
  7 SER  QB     10 ALA  H       3.13            #peak 257
  4 ILE  HA      7 SER  H       3.03            #peak 258
  5 LEU  HA      9 ALA  H       5.08            #peak 259
  7 SER  HA     11 LYS  H       3.71            #peak 260
  4 ILE  HA      5 LEU  H       3.33            #peak 261
 16 LEU  H      16 LEU  HA      3.66            #peak 262
  8 LEU  H       8 LEU  HA      4.45            #peak 263
 16 LEU  HA     19 LEU  H       4.70            #peak 264
 18 AGL  HA     19 LEU  H       4.12            #peak 265
 17 PHE  HB2    18 AGL  H       4.11            #peak 266
 18 AGL  H      18 AGL  HB2     3.18            #peak 267
 12 PHE  H      12 PHE  HB2     3.27            #peak 268
 12 PHE  H      12 PHE  HB3     3.85            #peak 269
 17 PHE  HA     20 VAL  H       4.09            #peak 270
 23 LYS  H      24 AGL  HG      4.64            #peak 271
  8 LEU  H       8 LEU  QD1     4.64            #peak 272
  5 LEU  QD2     5 LEU  QD1     2.89            #peak 273
 20 VAL  QG1    21 THR  QG2     4.49            #peak 274
 16 LEU  HA     20 VAL  H       3.44            #peak 275
 14 PRO  HA     17 PHE  HB2     3.25            #peak 276
 14 PRO  HA     17 PHE  HB3     3.24            #peak 277
  4 ILE  HA      7 SER  H       2.52            #peak 278
 17 PHE  QE     21 THR  QG2     4.30            #peak 279
 16 LEU  QB     20 VAL  HA      5.50            #peak 280
 19 LEU  HA     19 LEU  QQD     2.40            #peak 281
  8 LEU  HA      8 LEU  QD1     2.40            #peak 282
 11 LYS  HA     11 LYS  HG2     2.40            #peak 283
 22 LYS  QG     22 LYS  QE      4.18            #peak 284
  3 PRO  QG      3 PRO  HD2     3.95            #peak 285
 10 ALA  QB     11 LYS  H       3.95            #peak 286
 14 PRO  HA     17 PHE  QD      4.73            #peak 287
 21 THR  H      21 THR  HA      3.45            #peak 288
 20 VAL  HB     21 THR  H       3.64            #peak 289
 21 THR  H      21 THR  QG2     4.26            #peak 290
 20 VAL  QG1    21 THR  H       5.03            #peak 291
 20 VAL  QG2    21 THR  H       3.78            #peak 292
 15 LYS  H      15 LYS  QD      4.41            #peak 293
 24 AGL  H      24 AGL  HG      4.90            #peak 294
 22 LYS  H      22 LYS  QG      3.95            #peak 295
 17 PHE  QD     18 AGL  H       5.50            #peak 296
 18 AGL  HB2    19 LEU  H       3.29            #peak 297
 18 AGL  HB3    19 LEU  H       3.35            #peak 298
  3 PRO  HB2     4 ILE  H       5.50            #peak 299
  3 PRO  HB3     4 ILE  H       2.40            #peak 300
 17 PHE  QE     21 THR  H       5.10            #peak 301
 12 PHE  QD     13 GLY  H       5.50            #peak 302
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   PHE   1           HN       PHE   1   0.833   3.983  -8.454
    2    HA   PHE   1           HA       PHE   1   3.290   4.328  -7.022
    3    HB2  PHE   1           HB1      PHE   1   2.696   6.678  -6.274
    4    HB3  PHE   1           HB2      PHE   1   3.064   6.545  -8.031
    5    HD1  PHE   1           HD1      PHE   1   1.261   6.677  -9.715
    6    HD2  PHE   1           HD2      PHE   1   0.459   7.288  -5.543
    7    HE1  PHE   1           HE1      PHE   1  -0.887   7.766 -10.290
    8    HE2  PHE   1           HE2      PHE   1  -1.680   8.396  -6.114
    9    HZ   PHE   1           HZ       PHE   1  -2.362   8.628  -8.490
   10    H    LEU   2           HN       LEU   2   3.152   3.696  -4.983
   11    HA   LEU   2           HA       LEU   2   2.359   2.759  -3.175
   12    HB2  LEU   2           HB1      LEU   2  -0.194   4.346  -3.707
   13    HB3  LEU   2           HB2      LEU   2  -0.103   3.181  -2.377
   14    HG   LEU   2           HG       LEU   2   0.220   5.436  -1.591
   15   HD11  LEU   2          HD11      LEU   2   2.221   5.107  -0.190
   16   HD12  LEU   2          HD12      LEU   2   2.826   3.816  -1.287
   17   HD13  LEU   2          HD13      LEU   2   1.299   3.572  -0.348
   18   HD21  LEU   2          HD21      LEU   2   2.845   5.605  -3.186
   19   HD22  LEU   2          HD22      LEU   2   2.160   6.840  -2.069
   20   HD23  LEU   2          HD23      LEU   2   1.305   6.446  -3.609
   21    HA   PRO   3           HA       PRO   3  -0.247  -0.719  -4.556
   22    HB2  PRO   3           HB1      PRO   3  -1.142  -1.782  -2.149
   23    HB3  PRO   3           HB2      PRO   3   0.567  -1.972  -2.688
   24    HG2  PRO   3           HG1      PRO   3  -0.535   0.199  -0.809
   25    HG3  PRO   3           HG2      PRO   3   0.833  -0.949  -0.491
   26    HD2  PRO   3           HD1      PRO   3   1.243   1.601  -1.473
   27    HD3  PRO   3           HD2      PRO   3   2.262   0.209  -2.059
   28    H    ILE   4           HN       ILE   4  -2.734  -1.332  -3.497
   29    HA   ILE   4           HA       ILE   4  -4.274   0.403  -4.786
   30    HB   ILE   4           HB       ILE   4  -6.243  -0.641  -3.733
   31   HG12  ILE   4          HG11      ILE   4  -4.182  -2.138  -1.984
   32   HG13  ILE   4          HG12      ILE   4  -5.300  -0.866  -1.395
   33   HG21  ILE   4          HG21      ILE   4  -4.957  -1.594  -5.679
   34   HG22  ILE   4          HG22      ILE   4  -3.984  -2.595  -4.537
   35   HG23  ILE   4          HG23      ILE   4  -5.758  -2.854  -4.685
   36   HD11  ILE   4           HD1      ILE   4  -6.134  -3.592  -2.592
   37   HD12  ILE   4           HD2      ILE   4  -6.249  -3.076  -0.873
   38   HD13  ILE   4           HD3      ILE   4  -7.274  -2.279  -2.121
   39    H    LEU   5           HN       LEU   5  -3.366   1.010  -1.497
   40    HA   LEU   5           HA       LEU   5  -5.216   2.572  -0.385
   41    HB2  LEU   5           HB1      LEU   5  -2.231   3.224  -0.553
   42    HB3  LEU   5           HB2      LEU   5  -3.357   3.719   0.752
   43    HG   LEU   5           HG       LEU   5  -2.500   0.831   0.081
   44   HD11  LEU   5          HD11      LEU   5  -0.690   2.210   1.097
   45   HD12  LEU   5          HD12      LEU   5  -1.279   0.937   2.233
   46   HD13  LEU   5          HD13      LEU   5  -1.788   2.648   2.459
   47   HD21  LEU   5          HD21      LEU   5  -4.305   1.889   2.351
   48   HD22  LEU   5          HD22      LEU   5  -3.641   0.221   2.238
   49   HD23  LEU   5          HD23      LEU   5  -4.808   0.801   1.001
   50    H    ALA   6           HN       ALA   6  -3.060   3.867  -2.999
   51    HA   ALA   6           HA       ALA   6  -4.054   6.515  -2.830
   52    HB1  ALA   6           HB1      ALA   6  -1.913   5.888  -3.963
   53    HB2  ALA   6           HB2      ALA   6  -2.815   4.904  -5.158
   54    HB3  ALA   6           HB3      ALA   6  -3.011   6.695  -5.139
   55    H    SER   7           HN       SER   7  -5.038   3.753  -4.940
   56    HA   SER   7           HA       SER   7  -7.237   5.047  -6.131
   57    HB2  SER   7           HB1      SER   7  -6.892   2.032  -5.644
   58    HB3  SER   7           HB2      SER   7  -7.910   2.808  -6.904
   59    HG   SER   7           HG1      SER   7  -6.042   3.405  -7.969
   60    H    LEU   8           HN       LEU   8  -6.946   3.164  -3.092
   61    HA   LEU   8           HA       LEU   8  -9.737   3.143  -2.582
   62    HB2  LEU   8           HB1      LEU   8  -7.407   2.982  -0.616
   63    HB3  LEU   8           HB2      LEU   8  -9.126   2.778  -0.161
   64    HG   LEU   8           HG       LEU   8  -7.615   0.974  -2.134
   65   HD11  LEU   8          HD11      LEU   8  -7.744  -0.720  -0.296
   66   HD12  LEU   8          HD12      LEU   8  -8.504   0.502   0.786
   67   HD13  LEU   8          HD13      LEU   8  -6.809   0.735   0.217
   68   HD21  LEU   8          HD21      LEU   8 -10.044   0.988  -2.677
   69   HD22  LEU   8          HD22      LEU   8 -10.448   0.740  -0.928
   70   HD23  LEU   8          HD23      LEU   8  -9.606  -0.551  -1.856
   71    H    ALA   9           HN       ALA   9  -7.229   5.563  -1.691
   72    HA   ALA   9           HA       ALA   9  -8.960   7.328  -0.402
   73    HB1  ALA   9           HB1      ALA   9  -6.490   7.953  -2.142
   74    HB2  ALA   9           HB2      ALA   9  -7.255   9.073  -0.950
   75    HB3  ALA   9           HB3      ALA   9  -6.471   7.554  -0.389
   76    H    ALA  10           HN       ALA  10  -8.226   6.980  -3.889
   77    HA   ALA  10           HA       ALA  10  -9.909   8.960  -4.841
   78    HB1  ALA  10           HB1      ALA  10  -9.719   7.723  -6.995
   79    HB2  ALA  10           HB2      ALA  10  -8.146   7.587  -6.110
   80    HB3  ALA  10           HB3      ALA  10  -9.298   6.209  -6.141
   81    H    LYS  11           HN       LYS  11 -10.743   5.527  -4.203
   82    HA   LYS  11           HA       LYS  11 -13.378   5.857  -5.327
   83    HB2  LYS  11           HB1      LYS  11 -12.071   3.805  -5.620
   84    HB3  LYS  11           HB2      LYS  11 -12.009   3.518  -3.862
   85    HG2  LYS  11           HG1      LYS  11 -14.717   3.670  -5.301
   86    HG3  LYS  11           HG2      LYS  11 -13.713   2.200  -5.463
   87    HD2  LYS  11           HD1      LYS  11 -13.767   1.681  -3.138
   88    HD3  LYS  11           HD2      LYS  11 -14.295   3.324  -2.693
   89    HE2  LYS  11           HE1      LYS  11 -16.552   2.830  -3.884
   90    HE3  LYS  11           HE2      LYS  11 -16.034   1.092  -3.904
   91    HZ1  LYS  11           HZ1      LYS  11 -16.301   2.898  -1.551
   92    HZ2  LYS  11           HZ2      LYS  11 -15.611   1.373  -1.467
   93    HZ3  LYS  11           HZ3      LYS  11 -17.248   1.530  -1.894
   94    H    PHE  12           HN       PHE  12 -12.139   5.515  -1.954
   95    HA   PHE  12           HA       PHE  12 -14.897   5.567  -0.966
   96    HB2  PHE  12           HB1      PHE  12 -12.136   5.129   0.283
   97    HB3  PHE  12           HB2      PHE  12 -13.535   5.557   1.332
   98    HD1  PHE  12           HD1      PHE  12 -15.502   4.157   1.471
   99    HD2  PHE  12           HD2      PHE  12 -12.013   2.882  -0.672
  100    HE1  PHE  12           HE1      PHE  12 -16.236   1.804   1.696
  101    HE2  PHE  12           HE2      PHE  12 -12.750   0.519  -0.468
  102    HZ   PHE  12           HZ       PHE  12 -14.850  -0.023   0.740
  103    H    GLY  13           HN       GLY  13 -12.288   7.741  -1.574
  104    HA2  GLY  13           HA1      GLY  13 -13.974   9.912  -0.492
  105    HA3  GLY  13           HA2      GLY  13 -12.227   9.958  -0.920
  106    HA   PRO  14           HA       PRO  14 -14.459  10.624  -5.008
  107    HB2  PRO  14           HB1      PRO  14 -17.152  11.404  -4.870
  108    HB3  PRO  14           HB2      PRO  14 -16.634   9.702  -5.178
  109    HG2  PRO  14           HG1      PRO  14 -17.425  10.940  -2.484
  110    HG3  PRO  14           HG2      PRO  14 -18.012   9.392  -3.219
  111    HD2  PRO  14           HD1      PRO  14 -15.969   9.416  -1.363
  112    HD3  PRO  14           HD2      PRO  14 -15.909   8.284  -2.781
  113    H    LYS  15           HN       LYS  15 -15.298  11.969  -1.887
  114    HA   LYS  15           HA       LYS  15 -14.909  14.718  -2.470
  115    HB2  LYS  15           HB1      LYS  15 -14.136  13.104   0.048
  116    HB3  LYS  15           HB2      LYS  15 -14.235  14.887  -0.050
  117    HG2  LYS  15           HG1      LYS  15 -16.694  14.735  -0.457
  118    HG3  LYS  15           HG2      LYS  15 -16.611  12.945  -0.337
  119    HD2  LYS  15           HD1      LYS  15 -15.632  13.154   1.973
  120    HD3  LYS  15           HD2      LYS  15 -15.752  14.940   1.853
  121    HE2  LYS  15           HE1      LYS  15 -18.267  14.771   1.715
  122    HE3  LYS  15           HE2      LYS  15 -18.147  12.969   1.830
  123    HZ1  LYS  15           HZ1      LYS  15 -18.598  13.981   3.975
  124    HZ2  LYS  15           HZ2      LYS  15 -17.196  14.922   3.879
  125    HZ3  LYS  15           HZ3      LYS  15 -17.077  13.240   3.988
  126    H    LEU  16           HN       LEU  16 -12.564  12.103  -1.542
  127    HA   LEU  16           HA       LEU  16 -10.341  13.859  -1.572
  128    HB2  LEU  16           HB1      LEU  16 -10.442  10.821  -1.653
  129    HB3  LEU  16           HB2      LEU  16  -8.956  11.785  -1.423
  130    HG   LEU  16           HG       LEU  16 -11.352  11.794   0.507
  131   HD11  LEU  16          HD11      LEU  16 -10.156   9.590   0.414
  132   HD12  LEU  16          HD12      LEU  16  -9.869  10.436   1.983
  133   HD13  LEU  16          HD13      LEU  16  -8.593  10.431   0.712
  134   HD21  LEU  16          HD21      LEU  16  -9.754  12.936   2.073
  135   HD22  LEU  16          HD22      LEU  16 -10.056  13.944   0.613
  136   HD23  LEU  16          HD23      LEU  16  -8.522  13.007   0.767
  137    H    PHE  17           HN       PHE  17 -11.518  11.493  -4.100
  138    HA   PHE  17           HA       PHE  17  -9.325  12.176  -5.730
  139    HB2  PHE  17           HB1      PHE  17 -11.247  10.205  -5.921
  140    HB3  PHE  17           HB2      PHE  17 -11.859  11.325  -7.175
  141    HD1  PHE  17           HD1      PHE  17 -11.312  10.193  -9.181
  142    HD2  PHE  17           HD2      PHE  17  -8.292  10.422  -6.131
  143    HE1  PHE  17           HE1      PHE  17  -9.680   9.092 -10.689
  144    HE2  PHE  17           HE2      PHE  17  -6.675   9.354  -7.648
  145    HZ   PHE  17           HZ       PHE  17  -7.354   8.699  -9.930
  146    H    ABA  18           HN       AGL  18 -12.543  13.723  -5.521
  147    HA   ABA  18           HA       AGL  18 -11.957  15.595  -7.577
  148    HB3  ABA  18           HB2      AGL  18 -13.776  17.004  -6.380
  149    HB2  ABA  18           HB1      AGL  18 -13.933  15.642  -5.244
  150    HG3  ABA  18           HG       AGL  18 -14.884  14.191  -6.962
  151    H    LEU  19           HN       LEU  19 -11.220  15.688  -4.040
  152    HA   LEU  19           HA       LEU  19 -10.190  18.373  -4.393
  153    HB2  LEU  19           HB1      LEU  19 -11.391  17.767  -2.329
  154    HB3  LEU  19           HB2      LEU  19 -10.190  16.491  -1.979
  155    HG   LEU  19           HG       LEU  19  -8.400  18.234  -1.731
  156   HD11  LEU  19          HD11      LEU  19  -9.024  20.656  -1.571
  157   HD12  LEU  19          HD12      LEU  19 -10.679  20.267  -2.176
  158   HD13  LEU  19          HD13      LEU  19  -9.236  20.017  -3.235
  159   HD21  LEU  19          HD21      LEU  19  -9.664  17.466   0.261
  160   HD22  LEU  19          HD22      LEU  19 -10.884  18.775   0.003
  161   HD23  LEU  19          HD23      LEU  19  -9.178  19.194   0.407
  162    H    VAL  20           HN       VAL  20  -8.612  15.269  -3.338
  163    HA   VAL  20           HA       VAL  20  -6.051  16.491  -3.180
  164    HB   VAL  20           HB       VAL  20  -6.841  13.535  -3.158
  165   HG11  VAL  20          HG11      VAL  20  -4.612  13.266  -1.969
  166   HG12  VAL  20          HG12      VAL  20  -4.411  13.802  -3.669
  167   HG13  VAL  20          HG13      VAL  20  -4.234  14.992  -2.326
  168   HG21  VAL  20          HG21      VAL  20  -6.366  15.575  -0.878
  169   HG22  VAL  20          HG22      VAL  20  -7.951  14.821  -1.309
  170   HG23  VAL  20          HG23      VAL  20  -6.614  13.807  -0.657
  171    H    THR  21           HN       THR  21  -7.550  14.192  -5.491
  172    HA   THR  21           HA       THR  21  -5.144  14.428  -7.162
  173    HB   THR  21           HB       THR  21  -7.498  12.630  -7.760
  174    HG1  THR  21           HG1      THR  21  -6.203  11.091  -6.630
  175   HG21  THR  21          HG21      THR  21  -5.614  11.216  -8.749
  176   HG22  THR  21          HG22      THR  21  -4.431  12.488  -8.274
  177   HG23  THR  21          HG23      THR  21  -5.676  12.823  -9.530
  178    H    LYS  22           HN       LYS  22  -7.927  16.115  -6.842
  179    HA   LYS  22           HA       LYS  22  -9.141  17.493  -8.070
  180    HB2  LYS  22           HB1      LYS  22  -6.609  18.158  -8.256
  181    HB3  LYS  22           HB2      LYS  22  -6.807  17.835  -9.989
  182    HG2  LYS  22           HG1      LYS  22  -8.458  19.786  -8.231
  183    HG3  LYS  22           HG2      LYS  22  -7.035  20.278  -9.174
  184    HD2  LYS  22           HD1      LYS  22  -9.719  19.252 -10.310
  185    HD3  LYS  22           HD2      LYS  22  -9.227  20.955 -10.213
  186    HE2  LYS  22           HE1      LYS  22  -7.889  18.775 -11.980
  187    HE3  LYS  22           HE2      LYS  22  -9.002  20.083 -12.529
  188    HZ1  LYS  22           HZ1      LYS  22  -6.353  20.439 -11.236
  189    HZ2  LYS  22           HZ2      LYS  22  -7.372  21.693 -11.767
  190    HZ3  LYS  22           HZ3      LYS  22  -6.688  20.615 -12.891
  191    H    LYS  23           HN       LYS  23  -9.917  14.900  -8.852
  192    HA   LYS  23           HA       LYS  23 -10.018  15.027 -11.788
  193    HB2  LYS  23           HB1      LYS  23 -10.413  12.888  -9.735
  194    HB3  LYS  23           HB2      LYS  23 -11.347  12.694 -11.236
  195    HG2  LYS  23           HG1      LYS  23  -8.299  13.033 -11.040
  196    HG3  LYS  23           HG2      LYS  23  -9.174  11.508 -11.327
  197    HD2  LYS  23           HD1      LYS  23  -8.899  13.896 -13.267
  198    HD3  LYS  23           HD2      LYS  23  -8.204  12.269 -13.371
  199    HE2  LYS  23           HE1      LYS  23  -9.901  12.017 -14.904
  200    HE3  LYS  23           HE2      LYS  23 -10.743  11.412 -13.429
  201    HZ1  LYS  23           HZ1      LYS  23 -10.925  14.154 -14.605
  202    HZ2  LYS  23           HZ2      LYS  23 -11.733  13.668 -13.213
  203    HZ3  LYS  23           HZ3      LYS  23 -12.105  12.947 -14.690
  204    H    ABA  24           HN       AGL  24 -11.889  16.460  -9.543
  205    HA   ABA  24           HA       AGL  24 -14.353  16.166 -11.145
  206    HB3  ABA  24           HB2      AGL  24 -15.432  17.544  -9.321
  207    HB2  ABA  24           HB1      AGL  24 -13.871  17.577  -8.457
  208    HG3  ABA  24           HG       AGL  24 -15.531  14.995  -9.119
  Start of MODEL    2
    1    H1   PHE   1           HN       PHE   1   2.300   0.435   1.669
    2    HA   PHE   1           HA       PHE   1   3.626   1.772  -0.276
    3    HB2  PHE   1           HB1      PHE   1   4.980  -0.492  -0.599
    4    HB3  PHE   1           HB2      PHE   1   5.002   0.342   0.989
    5    HD1  PHE   1           HD1      PHE   1   4.218  -0.684   2.937
    6    HD2  PHE   1           HD2      PHE   1   3.339  -2.476  -0.867
    7    HE1  PHE   1           HE1      PHE   1   3.322  -2.679   4.089
    8    HE2  PHE   1           HE2      PHE   1   2.402  -4.461   0.294
    9    HZ   PHE   1           HZ       PHE   1   2.405  -4.567   2.769
   10    H    LEU   2           HN       LEU   2   1.150  -0.600  -0.766
   11    HA   LEU   2           HA       LEU   2   1.359  -1.153  -3.443
   12    HB2  LEU   2           HB1      LEU   2  -1.232  -0.516  -1.925
   13    HB3  LEU   2           HB2      LEU   2  -1.096  -1.413  -3.472
   14    HG   LEU   2           HG       LEU   2  -1.560  -3.019  -1.899
   15   HD11  LEU   2          HD11      LEU   2   1.503  -3.195  -2.162
   16   HD12  LEU   2          HD12      LEU   2   0.298  -3.718  -3.403
   17   HD13  LEU   2          HD13      LEU   2   0.371  -4.543  -1.803
   18   HD21  LEU   2          HD21      LEU   2   0.596  -2.045   0.063
   19   HD22  LEU   2          HD22      LEU   2  -0.558  -3.399   0.278
   20   HD23  LEU   2          HD23      LEU   2  -1.172  -1.711   0.178
   21    HA   PRO   3           HA       PRO   3   0.767   2.791  -5.302
   22    HB2  PRO   3           HB1      PRO   3  -0.058   2.172  -7.917
   23    HB3  PRO   3           HB2      PRO   3   1.594   1.791  -7.301
   24    HG2  PRO   3           HG1      PRO   3  -0.833  -0.092  -7.385
   25    HG3  PRO   3           HG2      PRO   3   0.836  -0.404  -8.017
   26    HD2  PRO   3           HD1      PRO   3   0.093  -1.290  -5.520
   27    HD3  PRO   3           HD2      PRO   3   1.741  -0.551  -5.766
   28    H    ILE   4           HN       ILE   4  -1.898   0.573  -5.245
   29    HA   ILE   4           HA       ILE   4  -4.002   2.124  -6.069
   30    HB   ILE   4           HB       ILE   4  -5.510   0.674  -4.896
   31   HG12  ILE   4          HG11      ILE   4  -3.047  -0.610  -3.578
   32   HG13  ILE   4          HG12      ILE   4  -4.205   0.467  -2.732
   33   HG21  ILE   4          HG21      ILE   4  -3.152  -0.891  -6.144
   34   HG22  ILE   4          HG22      ILE   4  -4.880  -1.388  -6.067
   35   HG23  ILE   4          HG23      ILE   4  -4.405   0.024  -7.068
   36   HD11  ILE   4           HD1      ILE   4  -6.080  -1.144  -3.234
   37   HD12  ILE   4           HD2      ILE   4  -4.897  -2.268  -3.997
   38   HD13  ILE   4           HD3      ILE   4  -4.770  -1.881  -2.246
   39    H    LEU   5           HN       LEU   5  -2.223   2.804  -3.183
   40    HA   LEU   5           HA       LEU   5  -4.313   3.728  -1.581
   41    HB2  LEU   5           HB1      LEU   5  -1.412   4.695  -1.727
   42    HB3  LEU   5           HB2      LEU   5  -2.544   4.980  -0.364
   43    HG   LEU   5           HG       LEU   5  -1.510   2.237  -1.318
   44   HD11  LEU   5          HD11      LEU   5   0.249   3.588  -0.235
   45   HD12  LEU   5          HD12      LEU   5  -0.259   2.229   0.830
   46   HD13  LEU   5          HD13      LEU   5  -0.830   3.902   1.181
   47   HD21  LEU   5          HD21      LEU   5  -2.527   1.360   0.810
   48   HD22  LEU   5          HD22      LEU   5  -3.771   1.944  -0.348
   49   HD23  LEU   5          HD23      LEU   5  -3.315   2.955   1.081
   50    H    ALA   6           HN       ALA   6  -2.543   5.451  -4.162
   51    HA   ALA   6           HA       ALA   6  -3.845   7.944  -3.848
   52    HB1  ALA   6           HB1      ALA   6  -2.687   6.519  -6.334
   53    HB2  ALA   6           HB2      ALA   6  -3.079   8.277  -6.239
   54    HB3  ALA   6           HB3      ALA   6  -1.769   7.587  -5.218
   55    H    SER   7           HN       SER   7  -4.701   5.020  -5.773
   56    HA   SER   7           HA       SER   7  -7.046   6.040  -6.917
   57    HB2  SER   7           HB1      SER   7  -6.535   3.099  -6.178
   58    HB3  SER   7           HB2      SER   7  -7.619   3.718  -7.466
   59    HG   SER   7           HG1      SER   7  -5.827   4.254  -8.654
   60    H    LEU   8           HN       LEU   8  -6.542   4.273  -3.835
   61    HA   LEU   8           HA       LEU   8  -9.262   4.152  -3.120
   62    HB2  LEU   8           HB1      LEU   8  -6.712   4.079  -1.442
   63    HB3  LEU   8           HB2      LEU   8  -8.343   3.846  -0.738
   64    HG   LEU   8           HG       LEU   8  -7.153   2.071  -2.944
   65   HD11  LEU   8          HD11      LEU   8  -6.830   0.384  -1.137
   66   HD12  LEU   8          HD12      LEU   8  -7.406   1.574   0.090
   67   HD13  LEU   8          HD13      LEU   8  -5.876   1.880  -0.811
   68   HD21  LEU   8          HD21      LEU   8  -9.657   1.729  -1.173
   69   HD22  LEU   8          HD22      LEU   8  -9.001   0.498  -2.311
   70   HD23  LEU   8          HD23      LEU   8  -9.657   2.044  -2.956
   71    H    ALA   9           HN       ALA   9  -6.811   6.676  -2.480
   72    HA   ALA   9           HA       ALA   9  -8.435   8.364  -0.988
   73    HB1  ALA   9           HB1      ALA   9  -5.962   8.653  -1.329
   74    HB2  ALA   9           HB2      ALA   9  -6.259   9.099  -3.038
   75    HB3  ALA   9           HB3      ALA   9  -6.875  10.166  -1.714
   76    H    ALA  10           HN       ALA  10  -8.215   8.025  -4.572
   77    HA   ALA  10           HA       ALA  10 -10.236   9.940  -5.097
   78    HB1  ALA  10           HB1      ALA  10  -9.521   7.408  -6.736
   79    HB2  ALA  10           HB2      ALA  10 -10.238   8.942  -7.355
   80    HB3  ALA  10           HB3      ALA  10  -8.537   8.903  -6.752
   81    H    LYS  11           HN       LYS  11 -10.451   6.378  -4.796
   82    HA   LYS  11           HA       LYS  11 -13.167   6.302  -5.508
   83    HB2  LYS  11           HB1      LYS  11 -11.570   4.464  -5.858
   84    HB3  LYS  11           HB2      LYS  11 -11.420   4.193  -4.103
   85    HG2  LYS  11           HG1      LYS  11 -14.163   4.050  -5.459
   86    HG3  LYS  11           HG2      LYS  11 -13.026   2.687  -5.669
   87    HD2  LYS  11           HD1      LYS  11 -13.006   2.125  -3.345
   88    HD3  LYS  11           HD2      LYS  11 -13.645   3.717  -2.864
   89    HE2  LYS  11           HE1      LYS  11 -15.849   3.082  -4.127
   90    HE3  LYS  11           HE2      LYS  11 -15.218   1.384  -4.099
   91    HZ1  LYS  11           HZ1      LYS  11 -16.534   1.762  -2.158
   92    HZ2  LYS  11           HZ2      LYS  11 -15.718   3.206  -1.800
   93    HZ3  LYS  11           HZ3      LYS  11 -14.912   1.742  -1.643
   94    H    PHE  12           HN       PHE  12 -11.674   6.191  -2.227
   95    HA   PHE  12           HA       PHE  12 -14.389   6.079  -1.074
   96    HB2  PHE  12           HB1      PHE  12 -11.556   5.713   0.052
   97    HB3  PHE  12           HB2      PHE  12 -12.944   6.054   1.142
   98    HD1  PHE  12           HD1      PHE  12 -14.856   4.552   1.295
   99    HD2  PHE  12           HD2      PHE  12 -11.331   3.492  -0.900
  100    HE1  PHE  12           HE1      PHE  12 -15.466   2.162   1.492
  101    HE2  PHE  12           HE2      PHE  12 -11.942   1.090  -0.723
  102    HZ   PHE  12           HZ       PHE  12 -14.000   0.423   0.493
  103    H    GLY  13           HN       GLY  13 -12.078   8.322  -2.090
  104    HA2  GLY  13           HA1      GLY  13 -13.573  10.414  -0.620
  105    HA3  GLY  13           HA2      GLY  13 -11.851  10.485  -1.124
  106    HA   PRO  14           HA       PRO  14 -14.291  11.589  -4.998
  107    HB2  PRO  14           HB1      PRO  14 -17.075  11.853  -4.805
  108    HB3  PRO  14           HB2      PRO  14 -16.271  10.332  -5.351
  109    HG2  PRO  14           HG1      PRO  14 -17.250  10.986  -2.518
  110    HG3  PRO  14           HG2      PRO  14 -17.569   9.495  -3.497
  111    HD2  PRO  14           HD1      PRO  14 -15.545   9.571  -1.620
  112    HD3  PRO  14           HD2      PRO  14 -15.306   8.707  -3.201
  113    H    LYS  15           HN       LYS  15 -15.410  12.202  -1.758
  114    HA   LYS  15           HA       LYS  15 -15.511  15.021  -1.752
  115    HB2  LYS  15           HB1      LYS  15 -14.606  12.962   0.349
  116    HB3  LYS  15           HB2      LYS  15 -14.878  14.692   0.734
  117    HG2  LYS  15           HG1      LYS  15 -17.200  14.500   0.690
  118    HG3  LYS  15           HG2      LYS  15 -17.187  13.265  -0.585
  119    HD2  LYS  15           HD1      LYS  15 -18.006  12.216   1.453
  120    HD3  LYS  15           HD2      LYS  15 -16.459  11.505   0.941
  121    HE2  LYS  15           HE1      LYS  15 -16.445  11.659   3.360
  122    HE3  LYS  15           HE2      LYS  15 -15.238  12.843   2.732
  123    HZ1  LYS  15           HZ1      LYS  15 -18.024  13.465   3.609
  124    HZ2  LYS  15           HZ2      LYS  15 -16.890  14.589   3.036
  125    HZ3  LYS  15           HZ3      LYS  15 -16.611  13.760   4.487
  126    H    LEU  16           HN       LEU  16 -12.684  12.764  -1.275
  127    HA   LEU  16           HA       LEU  16 -10.837  14.894  -0.843
  128    HB2  LEU  16           HB1      LEU  16 -10.473  11.926  -1.512
  129    HB3  LEU  16           HB2      LEU  16  -9.107  13.055  -1.484
  130    HG   LEU  16           HG       LEU  16  -9.457  13.634   0.852
  131   HD11  LEU  16          HD11      LEU  16 -11.614  11.426   0.922
  132   HD12  LEU  16          HD12      LEU  16 -11.888  13.201   1.198
  133   HD13  LEU  16          HD13      LEU  16 -10.881  12.249   2.342
  134   HD21  LEU  16          HD21      LEU  16  -7.895  11.828   0.151
  135   HD22  LEU  16          HD22      LEU  16  -9.218  10.612   0.283
  136   HD23  LEU  16          HD23      LEU  16  -8.620  11.461   1.758
  137    H    PHE  17           HN       PHE  17 -11.681  12.907  -3.726
  138    HA   PHE  17           HA       PHE  17  -9.588  14.028  -5.202
  139    HB2  PHE  17           HB1      PHE  17 -11.297  11.772  -5.454
  140    HB3  PHE  17           HB2      PHE  17 -11.680  12.748  -6.905
  141    HD1  PHE  17           HD1      PHE  17 -10.504  11.828  -8.705
  142    HD2  PHE  17           HD2      PHE  17  -8.512  12.042  -4.904
  143    HE1  PHE  17           HE1      PHE  17  -8.450  10.830  -9.708
  144    HE2  PHE  17           HE2      PHE  17  -6.469  11.107  -5.915
  145    HZ   PHE  17           HZ       PHE  17  -6.429  10.501  -8.306
  146    H    ABA  18           HN       AGL  18 -12.645  15.444  -4.635
  147    HA   ABA  18           HA       AGL  18 -12.585  17.146  -6.938
  148    HB3  ABA  18           HB2      AGL  18 -13.999  18.693  -5.395
  149    HB2  ABA  18           HB1      AGL  18 -13.875  17.408  -4.168
  150    HG3  ABA  18           HG       AGL  18 -15.283  15.895  -5.472
  151    H    LEU  19           HN       LEU  19 -10.680  17.093  -3.982
  152    HA   LEU  19           HA       LEU  19  -9.415  19.658  -4.752
  153    HB2  LEU  19           HB1      LEU  19  -9.266  17.910  -2.220
  154    HB3  LEU  19           HB2      LEU  19  -8.097  19.219  -2.576
  155    HG   LEU  19           HG       LEU  19  -9.968  20.880  -2.629
  156   HD11  LEU  19          HD11      LEU  19 -11.652  18.538  -1.520
  157   HD12  LEU  19          HD12      LEU  19 -11.977  19.493  -3.019
  158   HD13  LEU  19          HD13      LEU  19 -12.110  20.280  -1.414
  159   HD21  LEU  19          HD21      LEU  19 -10.110  20.995  -0.146
  160   HD22  LEU  19          HD22      LEU  19  -8.461  20.503  -0.666
  161   HD23  LEU  19          HD23      LEU  19  -9.607  19.269  -0.023
  162    H    VAL  20           HN       VAL  20  -8.581  16.294  -3.764
  163    HA   VAL  20           HA       VAL  20  -5.891  16.490  -4.124
  164    HB   VAL  20           HB       VAL  20  -7.689  14.042  -4.090
  165   HG11  VAL  20          HG11      VAL  20  -4.600  14.230  -3.906
  166   HG12  VAL  20          HG12      VAL  20  -5.567  12.785  -3.439
  167   HG13  VAL  20          HG13      VAL  20  -5.543  13.328  -5.149
  168   HG21  VAL  20          HG21      VAL  20  -7.696  15.503  -2.019
  169   HG22  VAL  20          HG22      VAL  20  -6.847  13.944  -1.712
  170   HG23  VAL  20          HG23      VAL  20  -5.896  15.444  -1.985
  171    H    THR  21           HN       THR  21  -8.192  15.404  -6.681
  172    HA   THR  21           HA       THR  21  -6.032  16.183  -8.490
  173    HB   THR  21           HB       THR  21  -7.405  13.556  -9.102
  174    HG1  THR  21           HG1      THR  21  -5.116  14.188  -7.644
  175   HG21  THR  21          HG21      THR  21  -5.433  13.341 -10.674
  176   HG22  THR  21          HG22      THR  21  -4.839  14.958 -10.171
  177   HG23  THR  21          HG23      THR  21  -6.382  14.814 -11.092
  178    H    LYS  22           HN       LYS  22  -8.280  17.407  -7.535
  179    HA   LYS  22           HA       LYS  22 -10.289  18.237  -8.001
  180    HB2  LYS  22           HB1      LYS  22 -10.022  20.140  -9.425
  181    HB3  LYS  22           HB2      LYS  22  -8.551  19.870  -8.464
  182    HG2  LYS  22           HG1      LYS  22  -7.226  19.212 -10.276
  183    HG3  LYS  22           HG2      LYS  22  -8.585  18.664 -11.267
  184    HD2  LYS  22           HD1      LYS  22  -7.742  21.571 -10.722
  185    HD3  LYS  22           HD2      LYS  22  -7.614  20.672 -12.255
  186    HE2  LYS  22           HE1      LYS  22 -10.182  21.729 -10.893
  187    HE3  LYS  22           HE2      LYS  22  -9.469  22.239 -12.468
  188    HZ1  LYS  22           HZ1      LYS  22  -9.974  20.049 -13.351
  189    HZ2  LYS  22           HZ2      LYS  22 -11.383  20.745 -12.698
  190    HZ3  LYS  22           HZ3      LYS  22 -10.572  19.539 -11.855
  191    H    LYS  23           HN       LYS  23 -11.229  15.971  -8.757
  192    HA   LYS  23           HA       LYS  23 -12.199  16.223 -11.527
  193    HB2  LYS  23           HB1      LYS  23 -12.435  13.938  -9.517
  194    HB3  LYS  23           HB2      LYS  23 -13.091  13.905 -11.184
  195    HG2  LYS  23           HG1      LYS  23 -10.118  14.202 -10.445
  196    HG3  LYS  23           HG2      LYS  23 -10.923  12.690 -10.980
  197    HD2  LYS  23           HD1      LYS  23 -11.427  13.711 -13.212
  198    HD3  LYS  23           HD2      LYS  23 -10.780  15.280 -12.664
  199    HE2  LYS  23           HE1      LYS  23  -9.124  14.280 -14.107
  200    HE3  LYS  23           HE2      LYS  23  -8.482  14.339 -12.419
  201    HZ1  LYS  23           HZ1      LYS  23  -9.073  12.027 -12.170
  202    HZ2  LYS  23           HZ2      LYS  23  -8.053  12.230 -13.514
  203    HZ3  LYS  23           HZ3      LYS  23  -9.712  11.967 -13.742
  204    H    ABA  24           HN       AGL  24 -13.129  17.819  -9.034
  205    HA   ABA  24           HA       AGL  24 -15.994  17.614  -9.732
  206    HB3  ABA  24           HB2      AGL  24 -16.391  19.146  -7.776
  207    HB2  ABA  24           HB1      AGL  24 -14.637  19.128  -7.424
  208    HG3  ABA  24           HG       AGL  24 -16.491  16.598  -7.400
  Start of MODEL    3
    1    H1   PHE   1           HN       PHE   1   1.188   4.926  -7.926
    2    HA   PHE   1           HA       PHE   1   3.487   5.064  -6.240
    3    HB2  PHE   1           HB1      PHE   1   2.716   7.155  -5.039
    4    HB3  PHE   1           HB2      PHE   1   3.231   7.449  -6.738
    5    HD1  PHE   1           HD1      PHE   1   1.529   7.841  -8.517
    6    HD2  PHE   1           HD2      PHE   1   0.445   7.590  -4.373
    7    HE1  PHE   1           HE1      PHE   1  -0.617   8.973  -9.013
    8    HE2  PHE   1           HE2      PHE   1  -1.691   8.740  -4.858
    9    HZ   PHE   1           HZ       PHE   1  -2.232   9.429  -7.180
   10    H    LEU   2           HN       LEU   2   3.204   3.914  -4.464
   11    HA   LEU   2           HA       LEU   2   2.288   2.630  -2.956
   12    HB2  LEU   2           HB1      LEU   2  -0.243   4.294  -3.315
   13    HB3  LEU   2           HB2      LEU   2  -0.216   2.860  -2.276
   14    HG   LEU   2           HG       LEU   2   1.737   3.881  -0.985
   15   HD11  LEU   2          HD11      LEU   2   1.889   6.393  -1.015
   16   HD12  LEU   2          HD12      LEU   2   0.823   6.430  -2.468
   17   HD13  LEU   2          HD13      LEU   2   2.463   5.679  -2.565
   18   HD21  LEU   2          HD21      LEU   2   0.182   5.316   0.363
   19   HD22  LEU   2          HD22      LEU   2  -0.581   3.759  -0.122
   20   HD23  LEU   2          HD23      LEU   2  -1.008   5.284  -0.990
   21    HA   PRO   3           HA       PRO   3  -0.152  -0.493  -5.205
   22    HB2  PRO   3           HB1      PRO   3  -1.171  -2.047  -3.146
   23    HB3  PRO   3           HB2      PRO   3   0.583  -2.069  -3.556
   24    HG2  PRO   3           HG1      PRO   3  -0.761  -0.341  -1.394
   25    HG3  PRO   3           HG2      PRO   3   0.611  -1.511  -1.181
   26    HD2  PRO   3           HD1      PRO   3   1.036   1.181  -1.608
   27    HD3  PRO   3           HD2      PRO   3   2.132  -0.059  -2.363
   28    H    ILE   4           HN       ILE   4  -2.674  -1.364  -4.299
   29    HA   ILE   4           HA       ILE   4  -4.285   0.459  -5.368
   30    HB   ILE   4           HB       ILE   4  -6.210  -0.788  -4.477
   31   HG12  ILE   4          HG11      ILE   4  -4.122  -2.409  -2.884
   32   HG13  ILE   4          HG12      ILE   4  -5.281  -1.242  -2.167
   33   HG21  ILE   4          HG21      ILE   4  -4.878  -1.470  -6.502
   34   HG22  ILE   4          HG22      ILE   4  -3.879  -2.562  -5.468
   35   HG23  ILE   4          HG23      ILE   4  -5.641  -2.860  -5.668
   36   HD11  ILE   4           HD1      ILE   4  -6.047  -3.827  -3.676
   37   HD12  ILE   4           HD2      ILE   4  -6.172  -3.522  -1.907
   38   HD13  ILE   4           HD3      ILE   4  -7.211  -2.603  -3.051
   39    H    LEU   5           HN       LEU   5  -3.400   0.665  -1.999
   40    HA   LEU   5           HA       LEU   5  -5.415   2.027  -0.811
   41    HB2  LEU   5           HB1      LEU   5  -2.423   2.645  -0.615
   42    HB3  LEU   5           HB2      LEU   5  -3.656   2.986   0.641
   43    HG   LEU   5           HG       LEU   5  -2.768   0.192  -0.324
   44   HD11  LEU   5          HD11      LEU   5  -1.715   0.011   1.917
   45   HD12  LEU   5          HD12      LEU   5  -2.220   1.693   2.305
   46   HD13  LEU   5          HD13      LEU   5  -1.025   1.396   0.989
   47   HD21  LEU   5          HD21      LEU   5  -5.138   0.090   0.415
   48   HD22  LEU   5          HD22      LEU   5  -4.728   1.001   1.919
   49   HD23  LEU   5          HD23      LEU   5  -4.073  -0.653   1.659
   50    H    ALA   6           HN       ALA   6  -3.027   3.610  -3.037
   51    HA   ALA   6           HA       ALA   6  -4.012   6.237  -2.669
   52    HB1  ALA   6           HB1      ALA   6  -2.643   4.825  -5.055
   53    HB2  ALA   6           HB2      ALA   6  -2.880   6.607  -4.935
   54    HB3  ALA   6           HB3      ALA   6  -1.822   5.752  -3.759
   55    H    SER   7           HN       SER   7  -4.925   3.672  -5.023
   56    HA   SER   7           HA       SER   7  -6.960   5.134  -6.315
   57    HB2  SER   7           HB1      SER   7  -6.795   2.080  -6.003
   58    HB3  SER   7           HB2      SER   7  -7.662   2.985  -7.289
   59    HG   SER   7           HG1      SER   7  -5.652   3.595  -8.112
   60    H    LEU   8           HN       LEU   8  -7.004   3.018  -3.421
   61    HA   LEU   8           HA       LEU   8  -9.827   3.043  -3.138
   62    HB2  LEU   8           HB1      LEU   8  -7.623   2.664  -1.050
   63    HB3  LEU   8           HB2      LEU   8  -9.367   2.469  -0.701
   64    HG   LEU   8           HG       LEU   8  -7.793   0.787  -2.730
   65   HD11  LEU   8          HD11      LEU   8  -7.122   0.376  -0.347
   66   HD12  LEU   8          HD12      LEU   8  -8.014  -1.034  -1.040
   67   HD13  LEU   8          HD13      LEU   8  -8.847   0.097   0.088
   68   HD21  LEU   8          HD21      LEU   8 -10.202   0.923  -3.372
   69   HD22  LEU   8          HD22      LEU   8 -10.685   0.525  -1.675
   70   HD23  LEU   8          HD23      LEU   8  -9.831  -0.698  -2.682
   71    H    ALA   9           HN       ALA   9  -7.320   5.228  -1.774
   72    HA   ALA   9           HA       ALA   9  -9.078   6.958  -0.470
   73    HB1  ALA   9           HB1      ALA   9  -6.583   6.982  -0.207
   74    HB2  ALA   9           HB2      ALA   9  -6.410   7.547  -1.904
   75    HB3  ALA   9           HB3      ALA   9  -7.195   8.611  -0.674
   76    H    ALA  10           HN       ALA  10  -7.986   6.904  -3.877
   77    HA   ALA  10           HA       ALA  10  -9.448   9.096  -4.722
   78    HB1  ALA  10           HB1      ALA  10  -9.100   8.092  -6.999
   79    HB2  ALA  10           HB2      ALA  10  -7.623   7.828  -5.990
   80    HB3  ALA  10           HB3      ALA  10  -8.783   6.487  -6.274
   81    H    LYS  11           HN       LYS  11 -10.525   5.643  -4.820
   82    HA   LYS  11           HA       LYS  11 -13.007   6.431  -6.045
   83    HB2  LYS  11           HB1      LYS  11 -11.782   4.304  -6.490
   84    HB3  LYS  11           HB2      LYS  11 -12.118   3.747  -4.835
   85    HG2  LYS  11           HG1      LYS  11 -14.290   4.366  -6.965
   86    HG3  LYS  11           HG2      LYS  11 -13.534   2.762  -6.710
   87    HD2  LYS  11           HD1      LYS  11 -14.294   2.930  -4.247
   88    HD3  LYS  11           HD2      LYS  11 -15.335   4.298  -4.767
   89    HE2  LYS  11           HE1      LYS  11 -16.562   2.793  -6.356
   90    HE3  LYS  11           HE2      LYS  11 -15.556   1.396  -5.781
   91    HZ1  LYS  11           HZ1      LYS  11 -17.620   1.528  -4.548
   92    HZ2  LYS  11           HZ2      LYS  11 -17.300   3.139  -4.106
   93    HZ3  LYS  11           HZ3      LYS  11 -16.315   1.903  -3.524
   94    H    PHE  12           HN       PHE  12 -12.124   5.343  -2.697
   95    HA   PHE  12           HA       PHE  12 -14.963   5.522  -1.975
   96    HB2  PHE  12           HB1      PHE  12 -12.474   4.391  -0.570
   97    HB3  PHE  12           HB2      PHE  12 -14.016   4.662   0.309
   98    HD1  PHE  12           HD1      PHE  12 -16.067   3.508  -0.306
   99    HD2  PHE  12           HD2      PHE  12 -12.301   2.500  -2.085
  100    HE1  PHE  12           HE1      PHE  12 -16.974   1.293  -0.940
  101    HE2  PHE  12           HE2      PHE  12 -13.206   0.288  -2.756
  102    HZ   PHE  12           HZ       PHE  12 -15.539  -0.326  -2.171
  103    H    GLY  13           HN       GLY  13 -12.194   7.502  -1.960
  104    HA2  GLY  13           HA1      GLY  13 -13.734   9.428  -0.328
  105    HA3  GLY  13           HA2      GLY  13 -12.028   9.548  -0.875
  106    HA   PRO  14           HA       PRO  14 -14.421  10.848  -4.679
  107    HB2  PRO  14           HB1      PRO  14 -17.160  11.320  -4.597
  108    HB3  PRO  14           HB2      PRO  14 -16.486   9.679  -4.939
  109    HG2  PRO  14           HG1      PRO  14 -17.430  10.745  -2.214
  110    HG3  PRO  14           HG2      PRO  14 -17.915   9.204  -3.037
  111    HD2  PRO  14           HD1      PRO  14 -15.885   9.258  -1.153
  112    HD3  PRO  14           HD2      PRO  14 -15.764   8.205  -2.631
  113    H    LYS  15           HN       LYS  15 -15.226  11.724  -1.418
  114    HA   LYS  15           HA       LYS  15 -15.100  14.558  -1.841
  115    HB2  LYS  15           HB1      LYS  15 -16.010  13.368   0.279
  116    HB3  LYS  15           HB2      LYS  15 -14.324  12.931   0.648
  117    HG2  LYS  15           HG1      LYS  15 -14.478  14.777   1.955
  118    HG3  LYS  15           HG2      LYS  15 -13.917  15.612   0.490
  119    HD2  LYS  15           HD1      LYS  15 -16.836  15.301   1.469
  120    HD3  LYS  15           HD2      LYS  15 -15.796  16.741   1.710
  121    HE2  LYS  15           HE1      LYS  15 -15.719  17.124  -0.787
  122    HE3  LYS  15           HE2      LYS  15 -16.812  15.701  -1.028
  123    HZ1  LYS  15           HZ1      LYS  15 -18.456  16.803   0.354
  124    HZ2  LYS  15           HZ2      LYS  15 -18.042  17.757  -0.986
  125    HZ3  LYS  15           HZ3      LYS  15 -17.442  18.142   0.556
  126    H    LEU  16           HN       LEU  16 -12.617  12.029  -1.074
  127    HA   LEU  16           HA       LEU  16 -10.481  13.858  -0.921
  128    HB2  LEU  16           HB1      LEU  16 -10.420  10.850  -1.459
  129    HB3  LEU  16           HB2      LEU  16  -9.000  11.859  -1.065
  130    HG   LEU  16           HG       LEU  16 -11.397  11.426   0.812
  131   HD11  LEU  16          HD11      LEU  16  -8.551  10.236   0.866
  132   HD12  LEU  16          HD12      LEU  16 -10.057   9.343   0.439
  133   HD13  LEU  16          HD13      LEU  16  -9.832   9.989   2.107
  134   HD21  LEU  16          HD21      LEU  16  -8.669  12.806   1.266
  135   HD22  LEU  16          HD22      LEU  16  -9.875  12.434   2.545
  136   HD23  LEU  16          HD23      LEU  16 -10.280  13.619   1.257
  137    H    PHE  17           HN       PHE  17 -11.639  11.867  -3.703
  138    HA   PHE  17           HA       PHE  17  -9.509  13.016  -5.307
  139    HB2  PHE  17           HB1      PHE  17 -10.826  10.561  -5.241
  140    HB3  PHE  17           HB2      PHE  17 -11.519  11.294  -6.717
  141    HD1  PHE  17           HD1      PHE  17  -8.106  11.135  -5.014
  142    HD2  PHE  17           HD2      PHE  17 -10.390  10.528  -8.593
  143    HE1  PHE  17           HE1      PHE  17  -6.098  10.244  -6.134
  144    HE2  PHE  17           HE2      PHE  17  -8.359   9.655  -9.735
  145    HZ   PHE  17           HZ       PHE  17  -6.213   9.516  -8.506
  146    H    ABA  18           HN       AGL  18 -12.092  14.511  -4.341
  147    HA   ABA  18           HA       AGL  18 -11.881  16.151  -6.792
  148    HB3  ABA  18           HB2      AGL  18 -14.021  17.298  -6.082
  149    HB2  ABA  18           HB1      AGL  18 -14.199  16.098  -4.768
  150    HG3  ABA  18           HG       AGL  18 -14.731  14.300  -6.314
  151    H    LEU  19           HN       LEU  19 -10.435  15.648  -3.997
  152    HA   LEU  19           HA       LEU  19 -10.135  18.510  -3.363
  153    HB2  LEU  19           HB1      LEU  19 -11.278  17.362  -1.489
  154    HB3  LEU  19           HB2      LEU  19 -10.007  16.112  -1.446
  155    HG   LEU  19           HG       LEU  19  -8.309  17.856  -0.803
  156   HD11  LEU  19          HD11      LEU  19  -9.286  19.889  -1.832
  157   HD12  LEU  19          HD12      LEU  19  -9.073  20.123  -0.065
  158   HD13  LEU  19          HD13      LEU  19 -10.715  19.787  -0.732
  159   HD21  LEU  19          HD21      LEU  19  -9.108  18.217   1.509
  160   HD22  LEU  19          HD22      LEU  19  -9.489  16.549   0.948
  161   HD23  LEU  19          HD23      LEU  19 -10.791  17.801   1.018
  162    H    VAL  20           HN       VAL  20  -8.382  15.457  -2.672
  163    HA   VAL  20           HA       VAL  20  -5.800  16.582  -2.800
  164    HB   VAL  20           HB       VAL  20  -6.755  13.678  -3.043
  165   HG11  VAL  20          HG11      VAL  20  -4.412  13.877  -3.884
  166   HG12  VAL  20          HG12      VAL  20  -3.954  14.870  -2.453
  167   HG13  VAL  20          HG13      VAL  20  -4.399  13.137  -2.250
  168   HG21  VAL  20          HG21      VAL  20  -5.821  15.361  -0.619
  169   HG22  VAL  20          HG22      VAL  20  -7.492  14.736  -0.897
  170   HG23  VAL  20          HG23      VAL  20  -6.140  13.590  -0.592
  171    H    THR  21           HN       THR  21  -7.808  14.807  -5.122
  172    HA   THR  21           HA       THR  21  -5.919  15.586  -7.278
  173    HB   THR  21           HB       THR  21  -7.675  13.109  -7.197
  174    HG1  THR  21           HG1      THR  21  -5.786  12.049  -7.059
  175   HG21  THR  21          HG21      THR  21  -6.444  12.502  -9.331
  176   HG22  THR  21          HG22      THR  21  -5.666  14.128  -9.332
  177   HG23  THR  21          HG23      THR  21  -7.459  13.965  -9.557
  178    H    LYS  22           HN       LYS  22  -6.849  16.755  -8.964
  179    HA   LYS  22           HA       LYS  22  -9.675  17.330  -8.830
  180    HB2  LYS  22           HB1      LYS  22  -9.257  18.712 -10.843
  181    HB3  LYS  22           HB2      LYS  22  -8.215  19.135  -9.465
  182    HG2  LYS  22           HG1      LYS  22  -6.247  18.469 -10.468
  183    HG3  LYS  22           HG2      LYS  22  -7.002  17.171 -11.433
  184    HD2  LYS  22           HD1      LYS  22  -7.335  20.170 -12.036
  185    HD3  LYS  22           HD2      LYS  22  -6.107  19.096 -12.787
  186    HE2  LYS  22           HE1      LYS  22  -7.926  17.637 -13.743
  187    HE3  LYS  22           HE2      LYS  22  -9.177  18.725 -13.035
  188    HZ1  LYS  22           HZ1      LYS  22  -8.262  20.535 -14.363
  189    HZ2  LYS  22           HZ2      LYS  22  -8.774  19.243 -15.327
  190    HZ3  LYS  22           HZ3      LYS  22  -7.119  19.491 -15.055
  191    H    LYS  23           HN       LYS  23 -10.289  14.838  -9.094
  192    HA   LYS  23           HA       LYS  23 -10.673  14.403 -12.016
  193    HB2  LYS  23           HB1      LYS  23 -10.829  12.578  -9.618
  194    HB3  LYS  23           HB2      LYS  23 -11.787  12.189 -11.071
  195    HG2  LYS  23           HG1      LYS  23  -8.751  12.655 -11.177
  196    HG3  LYS  23           HG2      LYS  23  -9.537  11.054 -10.948
  197    HD2  LYS  23           HD1      LYS  23 -10.805  11.354 -13.085
  198    HD3  LYS  23           HD2      LYS  23  -9.912  12.878 -13.400
  199    HE2  LYS  23           HE1      LYS  23  -7.741  11.625 -13.486
  200    HE3  LYS  23           HE2      LYS  23  -8.594  10.090 -13.061
  201    HZ1  LYS  23           HZ1      LYS  23  -9.858  10.275 -15.101
  202    HZ2  LYS  23           HZ2      LYS  23  -8.198  10.285 -15.433
  203    HZ3  LYS  23           HZ3      LYS  23  -9.086  11.724 -15.510
  204    H    ABA  24           HN       AGL  24 -12.154  15.981  -9.462
  205    HA   ABA  24           HA       AGL  24 -14.787  15.780 -10.753
  206    HB3  ABA  24           HB2      AGL  24 -15.551  17.329  -8.941
  207    HB2  ABA  24           HB1      AGL  24 -13.867  17.438  -8.331
  208    HG3  ABA  24           HG       AGL  24 -15.343  14.697  -8.574
  Start of MODEL    4
    1    H1   PHE   1           HN       PHE   1   4.629   2.204  -6.921
    2    HA   PHE   1           HA       PHE   1   5.379   4.473  -5.332
    3    HB2  PHE   1           HB1      PHE   1   4.522   4.682  -7.716
    4    HB3  PHE   1           HB2      PHE   1   2.941   4.007  -7.214
    5    HD1  PHE   1           HD1      PHE   1   1.281   5.616  -6.851
    6    HD2  PHE   1           HD2      PHE   1   5.377   6.705  -6.144
    7    HE1  PHE   1           HE1      PHE   1   0.574   7.926  -6.305
    8    HE2  PHE   1           HE2      PHE   1   4.670   9.009  -5.588
    9    HZ   PHE   1           HZ       PHE   1   2.268   9.625  -5.673
   10    H    LEU   2           HN       LEU   2   2.058   3.260  -5.683
   11    HA   LEU   2           HA       LEU   2   1.986   2.332  -2.957
   12    HB2  LEU   2           HB1      LEU   2  -0.073   4.322  -4.172
   13    HB3  LEU   2           HB2      LEU   2  -0.424   3.257  -2.781
   14    HG   LEU   2           HG       LEU   2   1.716   4.450  -1.708
   15   HD11  LEU   2          HD11      LEU   2   2.260   5.896  -3.677
   16   HD12  LEU   2          HD12      LEU   2   1.750   6.892  -2.269
   17   HD13  LEU   2          HD13      LEU   2   0.601   6.602  -3.629
   18   HD21  LEU   2          HD21      LEU   2  -0.560   4.393  -0.732
   19   HD22  LEU   2          HD22      LEU   2  -1.115   5.675  -1.882
   20   HD23  LEU   2          HD23      LEU   2   0.118   6.056  -0.623
   21    HA   PRO   3           HA       PRO   3  -0.596  -0.150  -5.774
   22    HB2  PRO   3           HB1      PRO   3  -1.555  -2.094  -4.121
   23    HB3  PRO   3           HB2      PRO   3   0.214  -1.871  -4.297
   24    HG2  PRO   3           HG1      PRO   3  -1.526  -0.721  -2.039
   25    HG3  PRO   3           HG2      PRO   3  -0.035  -1.740  -1.890
   26    HD2  PRO   3           HD1      PRO   3  -0.004   1.078  -1.871
   27    HD3  PRO   3           HD2      PRO   3   1.377   0.074  -2.507
   28    H    ILE   4           HN       ILE   4  -3.101  -1.208  -4.238
   29    HA   ILE   4           HA       ILE   4  -4.962   0.467  -5.199
   30    HB   ILE   4           HB       ILE   4  -6.607  -0.673  -3.785
   31   HG12  ILE   4          HG11      ILE   4  -4.180  -2.087  -2.504
   32   HG13  ILE   4          HG12      ILE   4  -5.206  -0.860  -1.691
   33   HG21  ILE   4          HG21      ILE   4  -6.251  -2.863  -4.831
   34   HG22  ILE   4          HG22      ILE   4  -5.712  -1.581  -5.961
   35   HG23  ILE   4          HG23      ILE   4  -4.494  -2.548  -5.044
   36   HD11  ILE   4           HD1      ILE   4  -5.948  -3.102  -1.004
   37   HD12  ILE   4           HD2      ILE   4  -7.229  -2.347  -2.018
   38   HD13  ILE   4           HD3      ILE   4  -6.158  -3.617  -2.714
   39    H    LEU   5           HN       LEU   5  -3.328   1.133  -2.175
   40    HA   LEU   5           HA       LEU   5  -5.338   2.394  -0.792
   41    HB2  LEU   5           HB1      LEU   5  -2.368   3.133  -0.810
   42    HB3  LEU   5           HB2      LEU   5  -3.536   3.449   0.514
   43    HG   LEU   5           HG       LEU   5  -2.591   0.677  -0.456
   44   HD11  LEU   5          HD11      LEU   5  -1.433   0.567   1.735
   45   HD12  LEU   5          HD12      LEU   5  -1.991   2.230   2.132
   46   HD13  LEU   5          HD13      LEU   5  -0.842   1.970   0.767
   47   HD21  LEU   5          HD21      LEU   5  -3.766  -0.195   1.595
   48   HD22  LEU   5          HD22      LEU   5  -4.917   0.481   0.391
   49   HD23  LEU   5          HD23      LEU   5  -4.482   1.433   1.864
   50    H    ALA   6           HN       ALA   6  -3.260   3.933  -3.292
   51    HA   ALA   6           HA       ALA   6  -4.301   6.548  -2.966
   52    HB1  ALA   6           HB1      ALA   6  -2.196   6.005  -4.225
   53    HB2  ALA   6           HB2      ALA   6  -3.155   5.080  -5.432
   54    HB3  ALA   6           HB3      ALA   6  -3.362   6.867  -5.292
   55    H    SER   7           HN       SER   7  -5.360   3.785  -5.019
   56    HA   SER   7           HA       SER   7  -7.563   5.096  -6.194
   57    HB2  SER   7           HB1      SER   7  -7.233   2.081  -5.703
   58    HB3  SER   7           HB2      SER   7  -8.277   2.860  -6.938
   59    HG   SER   7           HG1      SER   7  -6.475   3.366  -8.091
   60    H    LEU   8           HN       LEU   8  -7.253   3.192  -3.173
   61    HA   LEU   8           HA       LEU   8 -10.026   3.179  -2.607
   62    HB2  LEU   8           HB1      LEU   8  -7.607   2.970  -0.752
   63    HB3  LEU   8           HB2      LEU   8  -9.298   2.805  -0.187
   64    HG   LEU   8           HG       LEU   8  -7.968   0.982  -2.268
   65   HD11  LEU   8          HD11      LEU   8  -7.020   0.723   0.037
   66   HD12  LEU   8          HD12      LEU   8  -7.992  -0.721  -0.444
   67   HD13  LEU   8          HD13      LEU   8  -8.680   0.492   0.695
   68   HD21  LEU   8          HD21      LEU   8  -9.978  -0.487  -1.887
   69   HD22  LEU   8          HD22      LEU   8 -10.435   1.083  -2.636
   70   HD23  LEU   8          HD23      LEU   8 -10.715   0.802  -0.869
   71    H    ALA   9           HN       ALA   9  -7.474   5.542  -1.741
   72    HA   ALA   9           HA       ALA   9  -9.161   7.338  -0.427
   73    HB1  ALA   9           HB1      ALA   9  -6.660   7.513  -0.473
   74    HB2  ALA   9           HB2      ALA   9  -6.722   7.909  -2.225
   75    HB3  ALA   9           HB3      ALA   9  -7.434   9.047  -1.018
   76    H    ALA  10           HN       ALA  10  -8.462   6.996  -3.942
   77    HA   ALA  10           HA       ALA  10 -10.118   9.013  -4.839
   78    HB1  ALA  10           HB1      ALA  10 -10.009   7.811  -7.003
   79    HB2  ALA  10           HB2      ALA  10  -8.443   7.514  -6.147
   80    HB3  ALA  10           HB3      ALA  10  -9.708   6.246  -6.204
   81    H    LYS  11           HN       LYS  11 -11.021   5.584  -4.321
   82    HA   LYS  11           HA       LYS  11 -13.669   6.013  -5.315
   83    HB2  LYS  11           HB1      LYS  11 -12.429   3.923  -5.646
   84    HB3  LYS  11           HB2      LYS  11 -12.361   3.618  -3.892
   85    HG2  LYS  11           HG1      LYS  11 -15.071   3.936  -5.291
   86    HG3  LYS  11           HG2      LYS  11 -14.157   2.412  -5.503
   87    HD2  LYS  11           HD1      LYS  11 -14.188   1.892  -3.143
   88    HD3  LYS  11           HD2      LYS  11 -14.747   3.531  -2.713
   89    HE2  LYS  11           HE1      LYS  11 -16.938   3.032  -4.017
   90    HE3  LYS  11           HE2      LYS  11 -16.411   1.299  -4.018
   91    HZ1  LYS  11           HZ1      LYS  11 -17.748   1.704  -2.097
   92    HZ2  LYS  11           HZ2      LYS  11 -16.857   3.086  -1.678
   93    HZ3  LYS  11           HZ3      LYS  11 -16.142   1.571  -1.550
   94    H    PHE  12           HN       PHE  12 -12.374   5.549  -1.961
   95    HA   PHE  12           HA       PHE  12 -15.119   5.709  -0.946
   96    HB2  PHE  12           HB1      PHE  12 -12.388   5.149   0.337
   97    HB3  PHE  12           HB2      PHE  12 -13.813   5.576   1.346
   98    HD1  PHE  12           HD1      PHE  12 -15.790   4.194   1.437
   99    HD2  PHE  12           HD2      PHE  12 -12.314   2.950  -0.742
  100    HE1  PHE  12           HE1      PHE  12 -16.591   1.854   1.516
  101    HE2  PHE  12           HE2      PHE  12 -13.119   0.602  -0.687
  102    HZ   PHE  12           HZ       PHE  12 -15.249   0.049   0.460
  103    H    GLY  13           HN       GLY  13 -12.451   7.802  -1.570
  104    HA2  GLY  13           HA1      GLY  13 -14.037  10.002  -0.395
  105    HA3  GLY  13           HA2      GLY  13 -12.299  10.002  -0.849
  106    HA   PRO  14           HA       PRO  14 -14.566  10.734  -4.910
  107    HB2  PRO  14           HB1      PRO  14 -17.240  11.569  -4.766
  108    HB3  PRO  14           HB2      PRO  14 -16.755   9.856  -5.054
  109    HG2  PRO  14           HG1      PRO  14 -17.508  11.137  -2.372
  110    HG3  PRO  14           HG2      PRO  14 -18.121   9.587  -3.085
  111    HD2  PRO  14           HD1      PRO  14 -16.065   9.595  -1.242
  112    HD3  PRO  14           HD2      PRO  14 -16.031   8.456  -2.658
  113    H    LYS  15           HN       LYS  15 -15.356  12.167  -1.802
  114    HA   LYS  15           HA       LYS  15 -14.835  14.877  -2.512
  115    HB2  LYS  15           HB1      LYS  15 -14.245  13.430   0.157
  116    HB3  LYS  15           HB2      LYS  15 -14.136  15.187  -0.132
  117    HG2  LYS  15           HG1      LYS  15 -16.104  15.117   0.921
  118    HG3  LYS  15           HG2      LYS  15 -16.678  15.079  -0.772
  119    HD2  LYS  15           HD1      LYS  15 -17.112  12.665  -0.631
  120    HD3  LYS  15           HD2      LYS  15 -16.271  12.524   0.940
  121    HE2  LYS  15           HE1      LYS  15 -18.884  14.132   0.481
  122    HE3  LYS  15           HE2      LYS  15 -18.810  12.438   1.108
  123    HZ1  LYS  15           HZ1      LYS  15 -17.567  14.824   2.397
  124    HZ2  LYS  15           HZ2      LYS  15 -17.504  13.235   2.976
  125    HZ3  LYS  15           HZ3      LYS  15 -18.986  14.044   2.891
  126    H    LEU  16           HN       LEU  16 -12.610  12.180  -1.482
  127    HA   LEU  16           HA       LEU  16 -10.333  13.861  -1.495
  128    HB2  LEU  16           HB1      LEU  16 -10.493  10.828  -1.606
  129    HB3  LEU  16           HB2      LEU  16  -8.995  11.768  -1.357
  130    HG   LEU  16           HG       LEU  16 -11.398  11.814   0.559
  131   HD11  LEU  16          HD11      LEU  16  -9.963  10.417   2.042
  132   HD12  LEU  16          HD12      LEU  16  -8.682  10.368   0.778
  133   HD13  LEU  16          HD13      LEU  16 -10.271   9.576   0.475
  134   HD21  LEU  16          HD21      LEU  16  -8.538  12.952   0.828
  135   HD22  LEU  16          HD22      LEU  16  -9.768  12.902   2.137
  136   HD23  LEU  16          HD23      LEU  16 -10.050  13.925   0.684
  137    H    PHE  17           HN       PHE  17 -11.573  11.581  -4.068
  138    HA   PHE  17           HA       PHE  17  -9.349  12.280  -5.688
  139    HB2  PHE  17           HB1      PHE  17 -11.353  10.339  -5.905
  140    HB3  PHE  17           HB2      PHE  17 -11.807  11.454  -7.225
  141    HD1  PHE  17           HD1      PHE  17 -11.137  10.270  -9.164
  142    HD2  PHE  17           HD2      PHE  17  -8.385  10.415  -5.865
  143    HE1  PHE  17           HE1      PHE  17  -9.446   9.035 -10.494
  144    HE2  PHE  17           HE2      PHE  17  -6.707   9.216  -7.209
  145    HZ   PHE  17           HZ       PHE  17  -7.222   8.541  -9.528
  146    H    ABA  18           HN       AGL  18 -12.499  13.880  -5.337
  147    HA   ABA  18           HA       AGL  18 -11.960  15.797  -7.365
  148    HB3  ABA  18           HB2      AGL  18 -13.599  17.245  -5.906
  149    HB2  ABA  18           HB1      AGL  18 -13.771  15.788  -4.898
  150    HG3  ABA  18           HG       AGL  18 -14.919  14.576  -6.693
  151    H    LEU  19           HN       LEU  19 -11.103  15.820  -3.842
  152    HA   LEU  19           HA       LEU  19  -9.879  18.419  -4.242
  153    HB2  LEU  19           HB1      LEU  19 -10.487  16.651  -1.875
  154    HB3  LEU  19           HB2      LEU  19  -9.170  17.845  -1.696
  155    HG   LEU  19           HG       LEU  19 -11.283  18.690  -0.835
  156   HD11  LEU  19          HD11      LEU  19  -9.512  20.244  -1.689
  157   HD12  LEU  19          HD12      LEU  19 -11.171  20.936  -1.833
  158   HD13  LEU  19          HD13      LEU  19 -10.335  20.296  -3.292
  159   HD21  LEU  19          HD21      LEU  19 -12.898  17.612  -2.429
  160   HD22  LEU  19          HD22      LEU  19 -12.341  18.731  -3.731
  161   HD23  LEU  19          HD23      LEU  19 -13.157  19.393  -2.270
  162    H    VAL  20           HN       VAL  20  -8.497  15.207  -3.254
  163    HA   VAL  20           HA       VAL  20  -5.855  16.264  -3.105
  164    HB   VAL  20           HB       VAL  20  -6.823  13.362  -3.204
  165   HG11  VAL  20          HG11      VAL  20  -4.111  14.609  -2.369
  166   HG12  VAL  20          HG12      VAL  20  -4.592  12.898  -2.086
  167   HG13  VAL  20          HG13      VAL  20  -4.395  13.502  -3.764
  168   HG21  VAL  20          HG21      VAL  20  -6.515  13.481  -0.702
  169   HG22  VAL  20          HG22      VAL  20  -6.164  15.239  -0.830
  170   HG23  VAL  20          HG23      VAL  20  -7.803  14.608  -1.256
  171    H    THR  21           HN       THR  21  -7.559  14.184  -5.483
  172    HA   THR  21           HA       THR  21  -5.176  14.356  -7.197
  173    HB   THR  21           HB       THR  21  -7.602  12.627  -7.659
  174    HG1  THR  21           HG1      THR  21  -6.385  11.092  -6.542
  175   HG21  THR  21          HG21      THR  21  -5.933  12.788  -9.586
  176   HG22  THR  21          HG22      THR  21  -5.783  11.192  -8.786
  177   HG23  THR  21          HG23      THR  21  -4.589  12.495  -8.428
  178    H    LYS  22           HN       LYS  22  -7.882  16.151  -6.794
  179    HA   LYS  22           HA       LYS  22  -9.023  17.621  -7.981
  180    HB2  LYS  22           HB1      LYS  22  -6.468  18.132  -8.184
  181    HB3  LYS  22           HB2      LYS  22  -6.703  17.861  -9.922
  182    HG2  LYS  22           HG1      LYS  22  -8.242  19.846  -8.100
  183    HG3  LYS  22           HG2      LYS  22  -6.795  20.297  -9.026
  184    HD2  LYS  22           HD1      LYS  22  -9.529  19.437 -10.186
  185    HD3  LYS  22           HD2      LYS  22  -8.945  21.108 -10.049
  186    HE2  LYS  22           HE1      LYS  22  -7.734  18.901 -11.874
  187    HE3  LYS  22           HE2      LYS  22  -8.768  20.287 -12.386
  188    HZ1  LYS  22           HZ1      LYS  22  -6.103  20.452 -11.089
  189    HZ2  LYS  22           HZ2      LYS  22  -7.047  21.778 -11.579
  190    HZ3  LYS  22           HZ3      LYS  22  -6.428  20.699 -12.738
  191    H    LYS  23           HN       LYS  23 -10.090  15.193  -8.763
  192    HA   LYS  23           HA       LYS  23 -10.439  15.538 -11.692
  193    HB2  LYS  23           HB1      LYS  23 -11.020  13.107  -9.958
  194    HB3  LYS  23           HB2      LYS  23 -11.434  13.280 -11.691
  195    HG2  LYS  23           HG1      LYS  23  -8.810  13.965 -11.897
  196    HG3  LYS  23           HG2      LYS  23  -8.699  13.072 -10.368
  197    HD2  LYS  23           HD1      LYS  23  -8.189  11.477 -12.104
  198    HD3  LYS  23           HD2      LYS  23  -9.813  11.078 -11.476
  199    HE2  LYS  23           HE1      LYS  23  -9.739  10.824 -13.945
  200    HE3  LYS  23           HE2      LYS  23 -10.904  12.119 -13.475
  201    HZ1  LYS  23           HZ1      LYS  23  -8.101  12.540 -14.404
  202    HZ2  LYS  23           HZ2      LYS  23  -9.199  13.749 -13.952
  203    HZ3  LYS  23           HZ3      LYS  23  -9.511  12.787 -15.315
  204    H    ABA  24           HN       AGL  24 -11.810  17.042  -9.335
  205    HA   ABA  24           HA       AGL  24 -14.455  16.928 -10.665
  206    HB3  ABA  24           HB2      AGL  24 -15.345  18.191  -8.666
  207    HB2  ABA  24           HB1      AGL  24 -13.745  18.024  -7.887
  208    HG3  ABA  24           HG       AGL  24 -15.616  15.641  -8.716
  Start of MODEL    5
    1    H1   PHE   1           HN       PHE   1   2.070   0.531   1.310
    2    HA   PHE   1           HA       PHE   1   3.134   0.946  -0.984
    3    HB2  PHE   1           HB1      PHE   1   4.375  -1.302  -0.978
    4    HB3  PHE   1           HB2      PHE   1   4.402  -0.415   0.583
    5    HD1  PHE   1           HD1      PHE   1   3.251  -1.247   2.536
    6    HD2  PHE   1           HD2      PHE   1   3.012  -3.367  -1.190
    7    HE1  PHE   1           HE1      PHE   1   2.345  -3.217   3.720
    8    HE2  PHE   1           HE2      PHE   1   2.101  -5.346  -0.001
    9    HZ   PHE   1           HZ       PHE   1   1.766  -5.268   2.456
   10    H    LEU   2           HN       LEU   2   0.690  -1.646  -0.720
   11    HA   LEU   2           HA       LEU   2   0.418  -2.511  -3.138
   12    HB2  LEU   2           HB1      LEU   2  -1.894  -1.522  -1.405
   13    HB3  LEU   2           HB2      LEU   2  -2.054  -2.717  -2.737
   14    HG   LEU   2           HG       LEU   2  -0.379  -3.150  -0.194
   15   HD11  LEU   2          HD11      LEU   2  -2.818  -2.983   0.299
   16   HD12  LEU   2          HD12      LEU   2  -2.208  -4.662   0.518
   17   HD13  LEU   2          HD13      LEU   2  -3.165  -4.236  -0.951
   18   HD21  LEU   2          HD21      LEU   2  -1.215  -5.105  -2.440
   19   HD22  LEU   2          HD22      LEU   2  -0.374  -5.545  -0.909
   20   HD23  LEU   2          HD23      LEU   2   0.465  -4.510  -2.116
   21    HA   PRO   3           HA       PRO   3  -0.375   0.848  -5.807
   22    HB2  PRO   3           HB1      PRO   3  -1.362  -0.386  -8.133
   23    HB3  PRO   3           HB2      PRO   3   0.332  -0.600  -7.549
   24    HG2  PRO   3           HG1      PRO   3  -2.055  -2.466  -7.028
   25    HG3  PRO   3           HG2      PRO   3  -0.414  -2.910  -7.656
   26    HD2  PRO   3           HD1      PRO   3  -1.008  -3.158  -4.979
   27    HD3  PRO   3           HD2      PRO   3   0.610  -2.502  -5.498
   28    H    ILE   4           HN       ILE   4  -3.057  -1.329  -5.209
   29    HA   ILE   4           HA       ILE   4  -5.203   0.131  -6.117
   30    HB   ILE   4           HB       ILE   4  -6.595  -1.139  -4.556
   31   HG12  ILE   4          HG11      ILE   4  -3.941  -2.346  -3.555
   32   HG13  ILE   4          HG12      ILE   4  -4.966  -1.208  -2.618
   33   HG21  ILE   4          HG21      ILE   4  -5.855  -1.978  -6.816
   34   HG22  ILE   4          HG22      ILE   4  -4.462  -2.824  -6.036
   35   HG23  ILE   4          HG23      ILE   4  -6.151  -3.301  -5.641
   36   HD11  ILE   4           HD1      ILE   4  -5.787  -4.041  -3.560
   37   HD12  ILE   4           HD2      ILE   4  -5.425  -3.515  -1.880
   38   HD13  ILE   4           HD3      ILE   4  -6.877  -2.874  -2.726
   39    H    LEU   5           HN       LEU   5  -3.205   1.100  -3.473
   40    HA   LEU   5           HA       LEU   5  -5.116   2.467  -1.949
   41    HB2  LEU   5           HB1      LEU   5  -2.148   3.080  -2.374
   42    HB3  LEU   5           HB2      LEU   5  -3.168   3.701  -1.033
   43    HG   LEU   5           HG       LEU   5  -2.440   0.754  -1.565
   44   HD11  LEU   5          HD11      LEU   5  -1.094   0.966   0.517
   45   HD12  LEU   5          HD12      LEU   5  -1.517   2.715   0.622
   46   HD13  LEU   5          HD13      LEU   5  -0.533   2.101  -0.762
   47   HD21  LEU   5          HD21      LEU   5  -4.665   0.794  -0.507
   48   HD22  LEU   5          HD22      LEU   5  -4.093   1.989   0.726
   49   HD23  LEU   5          HD23      LEU   5  -3.436   0.313   0.711
   50    H    ALA   6           HN       ALA   6  -3.424   3.431  -4.928
   51    HA   ALA   6           HA       ALA   6  -4.338   6.100  -5.030
   52    HB1  ALA   6           HB1      ALA   6  -3.753   4.019  -7.248
   53    HB2  ALA   6           HB2      ALA   6  -3.883   5.797  -7.517
   54    HB3  ALA   6           HB3      ALA   6  -2.542   5.126  -6.519
   55    H    SER   7           HN       SER   7  -5.829   3.011  -6.187
   56    HA   SER   7           HA       SER   7  -8.148   4.161  -7.267
   57    HB2  SER   7           HB1      SER   7  -7.924   1.376  -5.992
   58    HB3  SER   7           HB2      SER   7  -9.138   1.911  -7.200
   59    HG   SER   7           HG1      SER   7  -7.534   1.953  -8.734
   60    H    LEU   8           HN       LEU   8  -7.481   2.921  -3.947
   61    HA   LEU   8           HA       LEU   8 -10.068   3.412  -2.955
   62    HB2  LEU   8           HB1      LEU   8  -7.392   3.380  -1.470
   63    HB3  LEU   8           HB2      LEU   8  -9.000   3.370  -0.681
   64    HG   LEU   8           HG       LEU   8  -7.888   1.159  -2.504
   65   HD11  LEU   8          HD11      LEU   8  -8.353   1.214   0.544
   66   HD12  LEU   8          HD12      LEU   8  -6.753   1.360  -0.268
   67   HD13  LEU   8          HD13      LEU   8  -7.708  -0.165  -0.419
   68   HD21  LEU   8          HD21      LEU   8  -9.829  -0.200  -1.709
   69   HD22  LEU   8          HD22      LEU   8 -10.383   1.220  -2.666
   70   HD23  LEU   8          HD23      LEU   8 -10.496   1.234  -0.858
   71    H    ALA   9           HN       ALA   9  -7.183   5.539  -3.030
   72    HA   ALA   9           HA       ALA   9  -8.307   7.734  -1.760
   73    HB1  ALA   9           HB1      ALA   9  -5.867   7.432  -2.279
   74    HB2  ALA   9           HB2      ALA   9  -6.223   7.603  -4.030
   75    HB3  ALA   9           HB3      ALA   9  -6.473   9.004  -2.920
   76    H    ALA  10           HN       ALA  10  -8.407   6.849  -5.265
   77    HA   ALA  10           HA       ALA  10  -9.946   9.083  -6.029
   78    HB1  ALA  10           HB1      ALA  10 -10.365   7.671  -8.092
   79    HB2  ALA  10           HB2      ALA  10  -8.633   7.664  -7.596
   80    HB3  ALA  10           HB3      ALA  10  -9.680   6.249  -7.219
   81    H    LYS  11           HN       LYS  11 -11.005   5.741  -5.203
   82    HA   LYS  11           HA       LYS  11 -13.735   6.275  -5.798
   83    HB2  LYS  11           HB1      LYS  11 -12.834   4.033  -6.118
   84    HB3  LYS  11           HB2      LYS  11 -12.213   3.998  -4.446
   85    HG2  LYS  11           HG1      LYS  11 -14.075   2.488  -4.589
   86    HG3  LYS  11           HG2      LYS  11 -14.503   3.850  -3.521
   87    HD2  LYS  11           HD1      LYS  11 -15.656   4.901  -5.654
   88    HD3  LYS  11           HD2      LYS  11 -15.525   3.270  -6.366
   89    HE2  LYS  11           HE1      LYS  11 -17.038   4.153  -3.799
   90    HE3  LYS  11           HE2      LYS  11 -17.769   3.564  -5.344
   91    HZ1  LYS  11           HZ1      LYS  11 -16.655   1.427  -4.932
   92    HZ2  LYS  11           HZ2      LYS  11 -17.744   1.835  -3.692
   93    HZ3  LYS  11           HZ3      LYS  11 -16.074   2.018  -3.451
   94    H    PHE  12           HN       PHE  12 -12.038   5.930  -2.625
   95    HA   PHE  12           HA       PHE  12 -14.636   6.476  -1.316
   96    HB2  PHE  12           HB1      PHE  12 -12.024   5.206  -0.289
   97    HB3  PHE  12           HB2      PHE  12 -13.450   5.578   0.749
   98    HD1  PHE  12           HD1      PHE  12 -15.738   4.622   0.007
   99    HD2  PHE  12           HD2      PHE  12 -11.957   3.095  -1.314
  100    HE1  PHE  12           HE1      PHE  12 -16.788   2.426  -0.426
  101    HE2  PHE  12           HE2      PHE  12 -13.000   0.889  -1.763
  102    HZ   PHE  12           HZ       PHE  12 -15.412   0.542  -1.297
  103    H    GLY  13           HN       GLY  13 -11.685   7.928  -2.175
  104    HA2  GLY  13           HA1      GLY  13 -12.373  10.209  -0.416
  105    HA3  GLY  13           HA2      GLY  13 -10.824   9.919  -1.273
  106    HA   PRO  14           HA       PRO  14 -13.354  11.407  -4.858
  107    HB2  PRO  14           HB1      PRO  14 -16.032  12.142  -4.725
  108    HB3  PRO  14           HB2      PRO  14 -15.490  10.451  -5.048
  109    HG2  PRO  14           HG1      PRO  14 -16.290  11.636  -2.330
  110    HG3  PRO  14           HG2      PRO  14 -16.892  10.110  -3.104
  111    HD2  PRO  14           HD1      PRO  14 -14.824  10.043  -1.267
  112    HD3  PRO  14           HD2      PRO  14 -14.796   8.985  -2.748
  113    H    LYS  15           HN       LYS  15 -14.004  12.651  -1.653
  114    HA   LYS  15           HA       LYS  15 -13.822  15.427  -2.276
  115    HB2  LYS  15           HB1      LYS  15 -12.791  13.978   0.256
  116    HB3  LYS  15           HB2      LYS  15 -12.970  15.737   0.036
  117    HG2  LYS  15           HG1      LYS  15 -14.788  15.358   1.269
  118    HG3  LYS  15           HG2      LYS  15 -15.536  15.231  -0.348
  119    HD2  LYS  15           HD1      LYS  15 -15.623  12.803  -0.206
  120    HD3  LYS  15           HD2      LYS  15 -14.493  12.744   1.176
  121    HE2  LYS  15           HE1      LYS  15 -17.341  13.960   1.313
  122    HE3  LYS  15           HE2      LYS  15 -16.919  12.268   1.793
  123    HZ1  LYS  15           HZ1      LYS  15 -16.964  13.767   3.683
  124    HZ2  LYS  15           HZ2      LYS  15 -15.764  14.742   2.997
  125    HZ3  LYS  15           HZ3      LYS  15 -15.409  13.150   3.447
  126    H    LEU  16           HN       LEU  16 -11.291  12.931  -1.514
  127    HA   LEU  16           HA       LEU  16  -9.125  14.757  -1.771
  128    HB2  LEU  16           HB1      LEU  16  -9.234  11.684  -1.919
  129    HB3  LEU  16           HB2      LEU  16  -7.725  12.635  -1.999
  130    HG   LEU  16           HG       LEU  16  -9.631  12.603   0.402
  131   HD11  LEU  16          HD11      LEU  16  -6.857  11.321  -0.043
  132   HD12  LEU  16          HD12      LEU  16  -8.421  10.431   0.032
  133   HD13  LEU  16          HD13      LEU  16  -7.795  11.293   1.491
  134   HD21  LEU  16          HD21      LEU  16  -7.707  13.763   1.572
  135   HD22  LEU  16          HD22      LEU  16  -8.421  14.783   0.275
  136   HD23  LEU  16          HD23      LEU  16  -6.863  13.919  -0.007
  137    H    PHE  17           HN       PHE  17 -10.633  12.407  -3.990
  138    HA   PHE  17           HA       PHE  17  -8.851  12.765  -6.026
  139    HB2  PHE  17           HB1      PHE  17 -10.735  10.988  -5.701
  140    HB3  PHE  17           HB2      PHE  17 -11.841  12.164  -6.475
  141    HD1  PHE  17           HD1      PHE  17  -8.335  12.034  -7.873
  142    HD2  PHE  17           HD2      PHE  17 -12.275  10.284  -7.996
  143    HE1  PHE  17           HE1      PHE  17  -7.790  10.961  -9.985
  144    HE2  PHE  17           HE2      PHE  17 -11.703   9.197 -10.146
  145    HZ   PHE  17           HZ       PHE  17  -9.448   9.518 -11.137
  146    H    ABA  18           HN       AGL  18 -11.843  14.680  -5.430
  147    HA   ABA  18           HA       AGL  18 -11.509  16.378  -7.676
  148    HB3  ABA  18           HB2      AGL  18 -13.103  17.926  -6.339
  149    HB2  ABA  18           HB1      AGL  18 -13.102  16.665  -5.082
  150    HG3  ABA  18           HG       AGL  18 -14.186  15.024  -6.624
  151    H    LEU  19           HN       LEU  19 -10.346  16.843  -4.251
  152    HA   LEU  19           HA       LEU  19  -9.372  19.482  -4.873
  153    HB2  LEU  19           HB1      LEU  19  -9.154  17.590  -2.522
  154    HB3  LEU  19           HB2      LEU  19  -7.937  18.893  -2.677
  155    HG   LEU  19           HG       LEU  19  -9.718  20.610  -2.821
  156   HD11  LEU  19          HD11      LEU  19 -11.670  19.231  -3.569
  157   HD12  LEU  19          HD12      LEU  19 -12.027  20.101  -2.035
  158   HD13  LEU  19          HD13      LEU  19 -11.635  18.338  -2.001
  159   HD21  LEU  19          HD21      LEU  19 -10.186  20.604  -0.376
  160   HD22  LEU  19          HD22      LEU  19  -8.497  20.082  -0.715
  161   HD23  LEU  19          HD23      LEU  19  -9.747  18.854  -0.286
  162    H    VAL  20           HN       VAL  20  -7.786  16.230  -4.719
  163    HA   VAL  20           HA       VAL  20  -5.245  17.282  -5.402
  164    HB   VAL  20           HB       VAL  20  -6.283  14.430  -5.540
  165   HG11  VAL  20          HG11      VAL  20  -3.788  13.863  -5.534
  166   HG12  VAL  20          HG12      VAL  20  -4.285  14.693  -7.047
  167   HG13  VAL  20          HG13      VAL  20  -3.419  15.609  -5.763
  168   HG21  VAL  20          HG21      VAL  20  -4.578  15.990  -3.468
  169   HG22  VAL  20          HG22      VAL  20  -6.270  15.421  -3.217
  170   HG23  VAL  20          HG23      VAL  20  -4.936  14.227  -3.399
  171    H    THR  21           HN       THR  21  -7.946  15.956  -7.396
  172    HA   THR  21           HA       THR  21  -6.494  17.025  -9.717
  173    HB   THR  21           HB       THR  21  -6.925  15.226 -11.176
  174    HG1  THR  21           HG1      THR  21  -8.483  14.218  -9.074
  175   HG21  THR  21          HG21      THR  21  -5.639  13.363 -10.222
  176   HG22  THR  21          HG22      THR  21  -5.942  13.942  -8.549
  177   HG23  THR  21          HG23      THR  21  -4.921  14.922  -9.663
  178    H    LYS  22           HN       LYS  22  -7.787  17.866 -11.471
  179    HA   LYS  22           HA       LYS  22 -10.503  18.410 -10.647
  180    HB2  LYS  22           HB1      LYS  22  -9.118  20.003 -12.030
  181    HB3  LYS  22           HB2      LYS  22  -9.348  18.897 -13.418
  182    HG2  LYS  22           HG1      LYS  22 -11.917  19.110 -12.968
  183    HG3  LYS  22           HG2      LYS  22 -11.502  20.407 -11.798
  184    HD2  LYS  22           HD1      LYS  22 -10.327  21.643 -13.714
  185    HD3  LYS  22           HD2      LYS  22 -10.933  20.399 -14.839
  186    HE2  LYS  22           HE1      LYS  22 -12.615  22.373 -13.127
  187    HE3  LYS  22           HE2      LYS  22 -12.401  22.396 -14.918
  188    HZ1  LYS  22           HZ1      LYS  22 -13.473  20.179 -14.952
  189    HZ2  LYS  22           HZ2      LYS  22 -14.485  21.407 -14.368
  190    HZ3  LYS  22           HZ3      LYS  22 -13.785  20.311 -13.294
  191    H    LYS  23           HN       LYS  23 -11.165  16.125 -10.351
  192    HA   LYS  23           HA       LYS  23 -12.548  15.287 -12.851
  193    HB2  LYS  23           HB1      LYS  23 -12.347  13.958 -10.102
  194    HB3  LYS  23           HB2      LYS  23 -13.250  13.275 -11.488
  195    HG2  LYS  23           HG1      LYS  23 -10.211  13.853 -11.642
  196    HG3  LYS  23           HG2      LYS  23 -10.873  12.412 -10.857
  197    HD2  LYS  23           HD1      LYS  23 -10.275  11.726 -13.045
  198    HD3  LYS  23           HD2      LYS  23 -12.049  11.697 -12.913
  199    HE2  LYS  23           HE1      LYS  23 -11.260  12.483 -15.149
  200    HE3  LYS  23           HE2      LYS  23 -12.244  13.749 -14.327
  201    HZ1  LYS  23           HZ1      LYS  23 -10.350  14.993 -13.864
  202    HZ2  LYS  23           HZ2      LYS  23 -10.070  14.424 -15.428
  203    HZ3  LYS  23           HZ3      LYS  23  -9.288  13.694 -14.108
  204    H    ABA  24           HN       AGL  24 -12.814  17.388 -10.280
  205    HA   ABA  24           HA       AGL  24 -15.772  17.327 -10.401
  206    HB3  ABA  24           HB2      AGL  24 -15.694  18.499  -8.183
  207    HB2  ABA  24           HB1      AGL  24 -13.902  18.485  -8.251
  208    HG3  ABA  24           HG       AGL  24 -15.566  15.847  -8.373
  Start of MODEL    6
    1    H1   PHE   1           HN       PHE   1   4.956   1.499  -6.712
    2    HA   PHE   1           HA       PHE   1   4.391   4.226  -6.624
    3    HB2  PHE   1           HB1      PHE   1   3.349   3.589  -8.896
    4    HB3  PHE   1           HB2      PHE   1   2.301   2.416  -8.029
    5    HD1  PHE   1           HD1      PHE   1   0.147   3.171  -7.570
    6    HD2  PHE   1           HD2      PHE   1   3.301   6.075  -7.800
    7    HE1  PHE   1           HE1      PHE   1  -1.493   4.976  -7.159
    8    HE2  PHE   1           HE2      PHE   1   1.665   7.885  -7.372
    9    HZ   PHE   1           HZ       PHE   1  -0.733   7.340  -7.045
   10    H    LEU   2           HN       LEU   2   2.254   4.452  -5.237
   11    HA   LEU   2           HA       LEU   2   2.047   2.815  -3.018
   12    HB2  LEU   2           HB1      LEU   2   0.010   4.528  -4.557
   13    HB3  LEU   2           HB2      LEU   2  -0.454   3.651  -3.078
   14    HG   LEU   2           HG       LEU   2  -0.097   5.924  -2.532
   15   HD11  LEU   2          HD11      LEU   2   1.485   5.743  -0.658
   16   HD12  LEU   2          HD12      LEU   2   2.263   4.301  -1.397
   17   HD13  LEU   2          HD13      LEU   2   0.550   4.214  -0.830
   18   HD21  LEU   2          HD21      LEU   2   2.829   5.773  -3.462
   19   HD22  LEU   2          HD22      LEU   2   1.981   7.176  -2.727
   20   HD23  LEU   2          HD23      LEU   2   1.486   6.588  -4.358
   21    HA   PRO   3           HA       PRO   3  -0.546  -0.415  -4.846
   22    HB2  PRO   3           HB1      PRO   3  -1.497  -1.709  -2.617
   23    HB3  PRO   3           HB2      PRO   3   0.268  -1.646  -2.953
   24    HG2  PRO   3           HG1      PRO   3  -1.298   0.245  -1.104
   25    HG3  PRO   3           HG2      PRO   3   0.157  -0.757  -0.692
   26    HD2  PRO   3           HD1      PRO   3   0.319   1.905  -1.537
   27    HD3  PRO   3           HD2      PRO   3   1.600   0.678  -1.959
   28    H    ILE   4           HN       ILE   4  -3.027  -1.170  -3.693
   29    HA   ILE   4           HA       ILE   4  -4.795   0.458  -4.860
   30    HB   ILE   4           HB       ILE   4  -6.572  -0.722  -3.621
   31   HG12  ILE   4          HG11      ILE   4  -4.250  -2.085  -2.107
   32   HG13  ILE   4          HG12      ILE   4  -5.382  -0.890  -1.395
   33   HG21  ILE   4          HG21      ILE   4  -6.047  -2.898  -4.635
   34   HG22  ILE   4          HG22      ILE   4  -5.444  -1.588  -5.699
   35   HG23  ILE   4          HG23      ILE   4  -4.289  -2.523  -4.676
   36   HD11  ILE   4           HD1      ILE   4  -6.164  -3.659  -2.526
   37   HD12  ILE   4           HD2      ILE   4  -6.117  -3.163  -0.798
   38   HD13  ILE   4           HD3      ILE   4  -7.323  -2.424  -1.910
   39    H    LEU   5           HN       LEU   5  -3.573   1.113  -1.653
   40    HA   LEU   5           HA       LEU   5  -5.660   2.469  -0.514
   41    HB2  LEU   5           HB1      LEU   5  -2.681   3.161  -0.319
   42    HB3  LEU   5           HB2      LEU   5  -3.945   3.555   0.890
   43    HG   LEU   5           HG       LEU   5  -3.007   0.716   0.119
   44   HD11  LEU   5          HD11      LEU   5  -2.503   2.378   2.660
   45   HD12  LEU   5          HD12      LEU   5  -1.288   2.016   1.377
   46   HD13  LEU   5          HD13      LEU   5  -1.980   0.681   2.373
   47   HD21  LEU   5          HD21      LEU   5  -4.312  -0.015   2.141
   48   HD22  LEU   5          HD22      LEU   5  -5.368   0.611   0.829
   49   HD23  LEU   5          HD23      LEU   5  -5.010   1.636   2.276
   50    H    ALA   6           HN       ALA   6  -3.373   3.847  -2.927
   51    HA   ALA   6           HA       ALA   6  -4.358   6.504  -2.784
   52    HB1  ALA   6           HB1      ALA   6  -3.091   4.895  -5.098
   53    HB2  ALA   6           HB2      ALA   6  -3.270   6.692  -5.065
   54    HB3  ALA   6           HB3      ALA   6  -2.194   5.868  -3.880
   55    H    SER   7           HN       SER   7  -5.359   3.688  -4.806
   56    HA   SER   7           HA       SER   7  -7.459   5.017  -6.147
   57    HB2  SER   7           HB1      SER   7  -7.221   2.013  -5.538
   58    HB3  SER   7           HB2      SER   7  -8.193   2.766  -6.845
   59    HG   SER   7           HG1      SER   7  -6.366   3.101  -7.965
   60    H    LEU   8           HN       LEU   8  -7.361   3.182  -3.064
   61    HA   LEU   8           HA       LEU   8 -10.157   3.239  -2.645
   62    HB2  LEU   8           HB1      LEU   8  -7.862   3.064  -0.634
   63    HB3  LEU   8           HB2      LEU   8  -9.587   2.919  -0.185
   64    HG   LEU   8           HG       LEU   8  -8.107   1.030  -2.100
   65   HD11  LEU   8          HD11      LEU   8  -9.092   0.617   0.798
   66   HD12  LEU   8          HD12      LEU   8  -7.381   0.862   0.304
   67   HD13  LEU   8          HD13      LEU   8  -8.277  -0.612  -0.236
   68   HD21  LEU   8          HD21      LEU   8 -10.966   0.903  -0.938
   69   HD22  LEU   8          HD22      LEU   8 -10.152  -0.422  -1.843
   70   HD23  LEU   8          HD23      LEU   8 -10.535   1.124  -2.681
   71    H    ALA   9           HN       ALA   9  -7.626   5.604  -1.767
   72    HA   ALA   9           HA       ALA   9  -9.311   7.465  -0.568
   73    HB1  ALA   9           HB1      ALA   9  -6.807   7.603  -0.579
   74    HB2  ALA   9           HB2      ALA   9  -6.842   7.973  -2.339
   75    HB3  ALA   9           HB3      ALA   9  -7.563   9.132  -1.160
   76    H    ALA  10           HN       ALA  10  -8.689   6.892  -4.081
   77    HA   ALA  10           HA       ALA  10 -10.420   8.930  -4.948
   78    HB1  ALA  10           HB1      ALA  10 -10.340   7.790  -7.127
   79    HB2  ALA  10           HB2      ALA  10  -8.742   7.453  -6.357
   80    HB3  ALA  10           HB3      ALA  10 -10.008   6.195  -6.376
   81    H    LYS  11           HN       LYS  11 -11.125   5.484  -4.396
   82    HA   LYS  11           HA       LYS  11 -13.757   5.746  -5.419
   83    HB2  LYS  11           HB1      LYS  11 -12.379   3.717  -5.601
   84    HB3  LYS  11           HB2      LYS  11 -12.420   3.472  -3.835
   85    HG2  LYS  11           HG1      LYS  11 -15.026   3.631  -5.449
   86    HG3  LYS  11           HG2      LYS  11 -14.047   2.135  -5.514
   87    HD2  LYS  11           HD1      LYS  11 -14.238   1.749  -3.125
   88    HD3  LYS  11           HD2      LYS  11 -14.941   3.366  -2.849
   89    HE2  LYS  11           HE1      LYS  11 -16.955   2.653  -4.317
   90    HE3  LYS  11           HE2      LYS  11 -16.316   0.962  -4.190
   91    HZ1  LYS  11           HZ1      LYS  11 -17.102   2.804  -1.988
   92    HZ2  LYS  11           HZ2      LYS  11 -16.301   1.350  -1.725
   93    HZ3  LYS  11           HZ3      LYS  11 -17.855   1.345  -2.423
   94    H    PHE  12           HN       PHE  12 -12.551   5.515  -2.029
   95    HA   PHE  12           HA       PHE  12 -15.337   5.737  -1.092
   96    HB2  PHE  12           HB1      PHE  12 -12.650   5.146   0.282
   97    HB3  PHE  12           HB2      PHE  12 -14.113   5.594   1.227
   98    HD1  PHE  12           HD1      PHE  12 -16.137   4.240   1.180
   99    HD2  PHE  12           HD2      PHE  12 -12.507   2.914  -0.676
  100    HE1  PHE  12           HE1      PHE  12 -16.951   1.905   1.283
  101    HE2  PHE  12           HE2      PHE  12 -13.321   0.569  -0.593
  102    HZ   PHE  12           HZ       PHE  12 -15.533   0.060   0.409
  103    H    GLY  13           HN       GLY  13 -12.613   7.702  -1.795
  104    HA2  GLY  13           HA1      GLY  13 -14.097   9.991  -0.648
  105    HA3  GLY  13           HA2      GLY  13 -12.347   9.904  -1.027
  106    HA   PRO  14           HA       PRO  14 -14.441  10.728  -5.167
  107    HB2  PRO  14           HB1      PRO  14 -17.135  11.497  -5.156
  108    HB3  PRO  14           HB2      PRO  14 -16.592   9.800  -5.433
  109    HG2  PRO  14           HG1      PRO  14 -17.512  11.029  -2.779
  110    HG3  PRO  14           HG2      PRO  14 -18.053   9.475  -3.544
  111    HD2  PRO  14           HD1      PRO  14 -16.096   9.502  -1.600
  112    HD3  PRO  14           HD2      PRO  14 -15.960   8.387  -3.031
  113    H    LYS  15           HN       LYS  15 -15.378  12.109  -2.074
  114    HA   LYS  15           HA       LYS  15 -14.920  14.841  -2.748
  115    HB2  LYS  15           HB1      LYS  15 -14.307  13.399  -0.080
  116    HB3  LYS  15           HB2      LYS  15 -14.347  15.161  -0.351
  117    HG2  LYS  15           HG1      LYS  15 -16.278  14.785   0.752
  118    HG3  LYS  15           HG2      LYS  15 -16.857  14.917  -0.941
  119    HD2  LYS  15           HD1      LYS  15 -17.487  12.611  -0.990
  120    HD3  LYS  15           HD2      LYS  15 -16.178  12.145   0.133
  121    HE2  LYS  15           HE1      LYS  15 -18.382  11.799   1.211
  122    HE3  LYS  15           HE2      LYS  15 -17.374  13.009   2.095
  123    HZ1  LYS  15           HZ1      LYS  15 -18.620  14.764   0.996
  124    HZ2  LYS  15           HZ2      LYS  15 -19.633  13.747   1.894
  125    HZ3  LYS  15           HZ3      LYS  15 -19.597  13.625   0.203
  126    H    LEU  16           HN       LEU  16 -12.671  12.196  -1.650
  127    HA   LEU  16           HA       LEU  16 -10.440  13.922  -1.513
  128    HB2  LEU  16           HB1      LEU  16 -10.662  10.897  -1.446
  129    HB3  LEU  16           HB2      LEU  16  -9.093  11.732  -1.516
  130    HG   LEU  16           HG       LEU  16  -9.554  12.970   0.558
  131   HD11  LEU  16          HD11      LEU  16 -12.044  11.166   0.847
  132   HD12  LEU  16          HD12      LEU  16 -12.037  12.979   0.700
  133   HD13  LEU  16          HD13      LEU  16 -11.315  12.182   2.138
  134   HD21  LEU  16          HD21      LEU  16  -9.175  11.008   2.055
  135   HD22  LEU  16          HD22      LEU  16  -8.243  10.860   0.521
  136   HD23  LEU  16          HD23      LEU  16  -9.752   9.900   0.754
  137    H    PHE  17           HN       PHE  17 -11.437  11.615  -4.190
  138    HA   PHE  17           HA       PHE  17  -9.118  12.593  -5.639
  139    HB2  PHE  17           HB1      PHE  17 -11.099  10.458  -6.119
  140    HB3  PHE  17           HB2      PHE  17 -10.785  11.401  -7.609
  141    HD1  PHE  17           HD1      PHE  17  -9.374  10.139  -8.928
  142    HD2  PHE  17           HD2      PHE  17  -8.446  10.462  -4.739
  143    HE1  PHE  17           HE1      PHE  17  -7.298   8.827  -9.276
  144    HE2  PHE  17           HE2      PHE  17  -6.398   9.144  -5.088
  145    HZ   PHE  17           HZ       PHE  17  -5.811   8.325  -7.353
  146    H    ABA  18           HN       AGL  18 -12.385  13.869  -5.394
  147    HA   ABA  18           HA       AGL  18 -11.965  15.651  -7.589
  148    HB3  ABA  18           HB2      AGL  18 -13.627  17.157  -6.188
  149    HB2  ABA  18           HB1      AGL  18 -13.780  15.732  -5.133
  150    HG3  ABA  18           HG       AGL  18 -14.910  14.455  -6.893
  151    H    LEU  19           HN       LEU  19 -10.995  15.788  -4.135
  152    HA   LEU  19           HA       LEU  19  -9.866  18.419  -4.594
  153    HB2  LEU  19           HB1      LEU  19 -11.027  17.900  -2.479
  154    HB3  LEU  19           HB2      LEU  19  -9.865  16.587  -2.141
  155    HG   LEU  19           HG       LEU  19  -8.005  18.263  -1.983
  156   HD11  LEU  19          HD11      LEU  19  -8.805  20.052  -3.502
  157   HD12  LEU  19          HD12      LEU  19  -8.534  20.712  -1.856
  158   HD13  LEU  19          HD13      LEU  19 -10.213  20.376  -2.417
  159   HD21  LEU  19          HD21      LEU  19  -8.702  19.295   0.157
  160   HD22  LEU  19          HD22      LEU  19  -9.260  17.586   0.053
  161   HD23  LEU  19          HD23      LEU  19 -10.430  18.937  -0.210
  162    H    VAL  20           HN       VAL  20  -8.390  15.312  -3.426
  163    HA   VAL  20           HA       VAL  20  -5.782  16.355  -3.379
  164    HB   VAL  20           HB       VAL  20  -6.771  13.458  -3.352
  165   HG11  VAL  20          HG11      VAL  20  -4.344  13.521  -3.915
  166   HG12  VAL  20          HG12      VAL  20  -4.038  14.705  -2.588
  167   HG13  VAL  20          HG13      VAL  20  -4.545  13.016  -2.206
  168   HG21  VAL  20          HG21      VAL  20  -6.095  15.448  -1.077
  169   HG22  VAL  20          HG22      VAL  20  -7.741  14.816  -1.479
  170   HG23  VAL  20          HG23      VAL  20  -6.473  13.702  -0.858
  171    H    THR  21           HN       THR  21  -7.409  14.154  -5.665
  172    HA   THR  21           HA       THR  21  -5.061  14.356  -7.447
  173    HB   THR  21           HB       THR  21  -7.429  12.489  -7.745
  174    HG1  THR  21           HG1      THR  21  -6.157  11.064  -6.658
  175   HG21  THR  21          HG21      THR  21  -4.497  12.498  -8.781
  176   HG22  THR  21          HG22      THR  21  -5.969  12.662  -9.814
  177   HG23  THR  21          HG23      THR  21  -5.628  11.109  -8.974
  178    H    LYS  22           HN       LYS  22  -7.717  16.075  -6.940
  179    HA   LYS  22           HA       LYS  22  -8.883  17.585  -8.039
  180    HB2  LYS  22           HB1      LYS  22  -6.329  18.002  -8.190
  181    HB3  LYS  22           HB2      LYS  22  -6.507  17.777  -9.940
  182    HG2  LYS  22           HG1      LYS  22  -8.070  19.891  -8.252
  183    HG3  LYS  22           HG2      LYS  22  -6.421  20.127  -8.880
  184    HD2  LYS  22           HD1      LYS  22  -7.450  21.182 -10.568
  185    HD3  LYS  22           HD2      LYS  22  -7.448  19.536 -11.240
  186    HE2  LYS  22           HE1      LYS  22  -9.886  19.804  -9.661
  187    HE3  LYS  22           HE2      LYS  22  -9.720  21.368 -10.553
  188    HZ1  LYS  22           HZ1      LYS  22 -10.928  19.525 -11.711
  189    HZ2  LYS  22           HZ2      LYS  22  -9.476  18.683 -11.749
  190    HZ3  LYS  22           HZ3      LYS  22  -9.608  20.145 -12.613
  191    H    LYS  23           HN       LYS  23  -9.913  15.128  -8.994
  192    HA   LYS  23           HA       LYS  23 -10.170  15.567 -11.912
  193    HB2  LYS  23           HB1      LYS  23 -10.787  13.123 -10.191
  194    HB3  LYS  23           HB2      LYS  23 -11.098  13.241 -11.955
  195    HG2  LYS  23           HG1      LYS  23  -8.343  13.373 -10.597
  196    HG3  LYS  23           HG2      LYS  23  -9.030  11.997 -11.524
  197    HD2  LYS  23           HD1      LYS  23  -9.117  13.533 -13.594
  198    HD3  LYS  23           HD2      LYS  23  -8.364  14.815 -12.605
  199    HE2  LYS  23           HE1      LYS  23  -6.593  13.929 -13.914
  200    HE3  LYS  23           HE2      LYS  23  -6.330  13.353 -12.220
  201    HZ1  LYS  23           HZ1      LYS  23  -6.001  11.610 -13.857
  202    HZ2  LYS  23           HZ2      LYS  23  -7.574  11.801 -14.448
  203    HZ3  LYS  23           HZ3      LYS  23  -7.332  11.243 -12.866
  204    H    ABA  24           HN       AGL  24 -11.873  16.747  -9.385
  205    HA   ABA  24           HA       AGL  24 -14.394  16.547 -10.915
  206    HB3  ABA  24           HB2      AGL  24 -15.348  17.960  -9.032
  207    HB2  ABA  24           HB1      AGL  24 -13.756  17.869  -8.226
  208    HG3  ABA  24           HG       AGL  24 -15.583  15.422  -8.963
  Start of MODEL    7
    1    H1   PHE   1           HN       PHE   1   3.363   1.402  -6.492
    2    HA   PHE   1           HA       PHE   1   5.780   2.634  -5.550
    3    HB2  PHE   1           HB1      PHE   1   4.876   3.930  -7.681
    4    HB3  PHE   1           HB2      PHE   1   3.612   4.589  -6.597
    5    HD1  PHE   1           HD1      PHE   1   4.977   5.287  -4.088
    6    HD2  PHE   1           HD2      PHE   1   6.455   5.486  -8.125
    7    HE1  PHE   1           HE1      PHE   1   6.549   7.045  -3.422
    8    HE2  PHE   1           HE2      PHE   1   8.034   7.264  -7.451
    9    HZ   PHE   1           HZ       PHE   1   8.094   8.042  -5.093
   10    H    LEU   2           HN       LEU   2   2.242   3.258  -5.591
   11    HA   LEU   2           HA       LEU   2   2.162   2.495  -2.747
   12    HB2  LEU   2           HB1      LEU   2   0.151   4.179  -4.401
   13    HB3  LEU   2           HB2      LEU   2  -0.204   3.483  -2.796
   14    HG   LEU   2           HG       LEU   2   0.185   5.727  -2.390
   15   HD11  LEU   2          HD11      LEU   2   1.370   4.210  -0.779
   16   HD12  LEU   2          HD12      LEU   2   2.150   5.829  -0.919
   17   HD13  LEU   2          HD13      LEU   2   2.891   4.409  -1.734
   18   HD21  LEU   2          HD21      LEU   2   2.788   5.675  -4.025
   19   HD22  LEU   2          HD22      LEU   2   2.093   7.084  -3.145
   20   HD23  LEU   2          HD23      LEU   2   1.213   6.379  -4.553
   21    HA   PRO   3           HA       PRO   3  -0.497  -0.484  -4.942
   22    HB2  PRO   3           HB1      PRO   3  -1.598  -1.895  -2.863
   23    HB3  PRO   3           HB2      PRO   3   0.183  -1.892  -3.105
   24    HG2  PRO   3           HG1      PRO   3  -1.392  -0.083  -1.183
   25    HG3  PRO   3           HG2      PRO   3   0.007  -1.169  -0.794
   26    HD2  PRO   3           HD1      PRO   3   0.283   1.555  -1.443
   27    HD3  PRO   3           HD2      PRO   3   1.558   0.315  -1.834
   28    H    ILE   4           HN       ILE   4  -3.079  -1.132  -3.808
   29    HA   ILE   4           HA       ILE   4  -4.688   0.653  -4.970
   30    HB   ILE   4           HB       ILE   4  -6.564  -0.419  -3.768
   31   HG12  ILE   4          HG11      ILE   4  -4.339  -1.899  -2.211
   32   HG13  ILE   4          HG12      ILE   4  -5.477  -0.694  -1.527
   33   HG21  ILE   4          HG21      ILE   4  -4.402  -2.377  -4.797
   34   HG22  ILE   4          HG22      ILE   4  -6.185  -2.608  -4.802
   35   HG23  ILE   4          HG23      ILE   4  -5.452  -1.344  -5.839
   36   HD11  ILE   4           HD1      ILE   4  -7.419  -2.213  -2.187
   37   HD12  ILE   4           HD2      ILE   4  -6.222  -3.458  -2.696
   38   HD13  ILE   4           HD3      ILE   4  -6.298  -2.935  -0.978
   39    H    LEU   5           HN       LEU   5  -3.461   1.198  -1.733
   40    HA   LEU   5           HA       LEU   5  -5.536   2.532  -0.564
   41    HB2  LEU   5           HB1      LEU   5  -2.547   3.133  -0.275
   42    HB3  LEU   5           HB2      LEU   5  -3.821   3.540   0.918
   43    HG   LEU   5           HG       LEU   5  -3.009   0.686   0.076
   44   HD11  LEU   5          HD11      LEU   5  -2.441   2.262   2.658
   45   HD12  LEU   5          HD12      LEU   5  -1.235   1.873   1.375
   46   HD13  LEU   5          HD13      LEU   5  -1.995   0.549   2.337
   47   HD21  LEU   5          HD21      LEU   5  -5.394   0.721   0.786
   48   HD22  LEU   5          HD22      LEU   5  -4.953   1.653   2.269
   49   HD23  LEU   5          HD23      LEU   5  -4.371  -0.034   2.057
   50    H    ALA   6           HN       ALA   6  -3.145   4.082  -2.783
   51    HA   ALA   6           HA       ALA   6  -4.113   6.725  -2.416
   52    HB1  ALA   6           HB1      ALA   6  -1.912   6.173  -3.488
   53    HB2  ALA   6           HB2      ALA   6  -2.768   5.342  -4.834
   54    HB3  ALA   6           HB3      ALA   6  -2.933   7.127  -4.622
   55    H    SER   7           HN       SER   7  -4.978   4.172  -4.798
   56    HA   SER   7           HA       SER   7  -6.995   5.594  -6.126
   57    HB2  SER   7           HB1      SER   7  -6.825   2.548  -5.709
   58    HB3  SER   7           HB2      SER   7  -7.690   3.398  -7.032
   59    HG   SER   7           HG1      SER   7  -5.753   3.846  -7.956
   60    H    LEU   8           HN       LEU   8  -7.123   3.425  -3.275
   61    HA   LEU   8           HA       LEU   8  -9.920   3.437  -2.995
   62    HB2  LEU   8           HB1      LEU   8  -7.686   2.989  -0.955
   63    HB3  LEU   8           HB2      LEU   8  -9.415   2.867  -0.521
   64    HG   LEU   8           HG       LEU   8  -8.022   1.112  -2.610
   65   HD11  LEU   8          HD11      LEU   8  -7.256   0.662  -0.280
   66   HD12  LEU   8          HD12      LEU   8  -8.319  -0.679  -0.856
   67   HD13  LEU   8          HD13      LEU   8  -8.965   0.555   0.281
   68   HD21  LEU   8          HD21      LEU   8 -10.866   0.965  -1.412
   69   HD22  LEU   8          HD22      LEU   8 -10.112  -0.271  -2.478
   70   HD23  LEU   8          HD23      LEU   8 -10.465   1.368  -3.132
   71    H    ALA   9           HN       ALA   9  -7.473   5.691  -1.636
   72    HA   ALA   9           HA       ALA   9  -9.226   7.189  -0.094
   73    HB1  ALA   9           HB1      ALA   9  -7.516   9.020  -0.388
   74    HB2  ALA   9           HB2      ALA   9  -6.730   7.427  -0.087
   75    HB3  ALA   9           HB3      ALA   9  -6.783   8.091  -1.754
   76    H    ALA  10           HN       ALA  10  -8.376   7.596  -3.553
   77    HA   ALA  10           HA       ALA  10 -10.280   9.580  -4.144
   78    HB1  ALA  10           HB1      ALA  10  -8.394   9.074  -5.640
   79    HB2  ALA  10           HB2      ALA  10  -8.880   7.349  -5.754
   80    HB3  ALA  10           HB3      ALA  10  -9.896   8.602  -6.533
   81    H    LYS  11           HN       LYS  11 -10.618   5.969  -4.464
   82    HA   LYS  11           HA       LYS  11 -13.194   6.225  -5.572
   83    HB2  LYS  11           HB1      LYS  11 -11.722   4.299  -5.950
   84    HB3  LYS  11           HB2      LYS  11 -11.891   3.791  -4.252
   85    HG2  LYS  11           HG1      LYS  11 -14.513   4.173  -5.718
   86    HG3  LYS  11           HG2      LYS  11 -13.448   2.966  -6.464
   87    HD2  LYS  11           HD1      LYS  11 -13.762   1.417  -4.903
   88    HD3  LYS  11           HD2      LYS  11 -13.517   2.530  -3.539
   89    HE2  LYS  11           HE1      LYS  11 -16.178   2.441  -5.125
   90    HE3  LYS  11           HE2      LYS  11 -15.839   1.327  -3.741
   91    HZ1  LYS  11           HZ1      LYS  11 -17.024   3.397  -3.128
   92    HZ2  LYS  11           HZ2      LYS  11 -15.645   4.287  -3.544
   93    HZ3  LYS  11           HZ3      LYS  11 -15.566   3.153  -2.299
   94    H    PHE  12           HN       PHE  12 -12.281   5.699  -2.125
   95    HA   PHE  12           HA       PHE  12 -15.152   5.506  -1.464
   96    HB2  PHE  12           HB1      PHE  12 -12.563   4.881   0.042
   97    HB3  PHE  12           HB2      PHE  12 -14.062   5.247   0.967
   98    HD1  PHE  12           HD1      PHE  12 -16.134   3.983   0.603
   99    HD2  PHE  12           HD2      PHE  12 -12.389   2.741  -1.077
  100    HE1  PHE  12           HE1      PHE  12 -17.059   1.712   0.245
  101    HE2  PHE  12           HE2      PHE  12 -13.310   0.457  -1.435
  102    HZ   PHE  12           HZ       PHE  12 -15.648  -0.051  -0.780
  103    H    GLY  13           HN       GLY  13 -12.544   7.851  -1.344
  104    HA2  GLY  13           HA1      GLY  13 -14.530   9.735  -0.233
  105    HA3  GLY  13           HA2      GLY  13 -12.777   9.978  -0.525
  106    HA   PRO  14           HA       PRO  14 -14.645  10.489  -4.823
  107    HB2  PRO  14           HB1      PRO  14 -17.313  11.390  -4.986
  108    HB3  PRO  14           HB2      PRO  14 -16.834   9.657  -5.119
  109    HG2  PRO  14           HG1      PRO  14 -17.787  11.123  -2.598
  110    HG3  PRO  14           HG2      PRO  14 -18.380   9.545  -3.263
  111    HD2  PRO  14           HD1      PRO  14 -16.499   9.594  -1.256
  112    HD3  PRO  14           HD2      PRO  14 -16.325   8.413  -2.627
  113    H    LYS  15           HN       LYS  15 -15.708  12.176  -1.993
  114    HA   LYS  15           HA       LYS  15 -15.179  14.855  -2.714
  115    HB2  LYS  15           HB1      LYS  15 -14.869  13.296  -0.076
  116    HB3  LYS  15           HB2      LYS  15 -14.741  15.079  -0.190
  117    HG2  LYS  15           HG1      LYS  15 -17.055  15.337  -0.779
  118    HG3  LYS  15           HG2      LYS  15 -17.284  13.583  -1.074
  119    HD2  LYS  15           HD1      LYS  15 -16.937  13.063   1.299
  120    HD3  LYS  15           HD2      LYS  15 -16.517  14.773   1.661
  121    HE2  LYS  15           HE1      LYS  15 -18.831  15.519   1.154
  122    HE3  LYS  15           HE2      LYS  15 -19.298  13.848   0.648
  123    HZ1  LYS  15           HZ1      LYS  15 -19.964  14.393   2.928
  124    HZ2  LYS  15           HZ2      LYS  15 -18.349  14.607   3.379
  125    HZ3  LYS  15           HZ3      LYS  15 -18.894  13.084   2.886
  126    H    LEU  16           HN       LEU  16 -12.977  12.244  -1.457
  127    HA   LEU  16           HA       LEU  16 -10.663  13.897  -1.552
  128    HB2  LEU  16           HB1      LEU  16 -10.957  10.877  -1.357
  129    HB3  LEU  16           HB2      LEU  16  -9.392  11.739  -1.290
  130    HG   LEU  16           HG       LEU  16 -11.676  12.140   0.725
  131   HD11  LEU  16          HD11      LEU  16 -10.229  10.821   2.275
  132   HD12  LEU  16          HD12      LEU  16  -9.033  10.564   0.955
  133   HD13  LEU  16          HD13      LEU  16 -10.676   9.840   0.826
  134   HD21  LEU  16          HD21      LEU  16  -8.746  13.129   0.716
  135   HD22  LEU  16          HD22      LEU  16  -9.888  13.273   2.096
  136   HD23  LEU  16          HD23      LEU  16 -10.215  14.168   0.570
  137    H    PHE  17           HN       PHE  17 -12.088  11.566  -3.938
  138    HA   PHE  17           HA       PHE  17  -9.937  11.738  -5.688
  139    HB2  PHE  17           HB1      PHE  17 -12.195  10.324  -5.822
  140    HB3  PHE  17           HB2      PHE  17 -12.853  11.698  -6.741
  141    HD1  PHE  17           HD1      PHE  17  -9.261  11.117  -7.525
  142    HD2  PHE  17           HD2      PHE  17 -13.257   9.686  -8.244
  143    HE1  PHE  17           HE1      PHE  17  -8.457   9.862  -9.443
  144    HE2  PHE  17           HE2      PHE  17 -12.433   8.401 -10.186
  145    HZ   PHE  17           HZ       PHE  17 -10.014   8.449 -10.771
  146    H    ABA  18           HN       AGL  18 -12.836  13.811  -5.478
  147    HA   ABA  18           HA       AGL  18 -12.095  15.684  -7.431
  148    HB3  ABA  18           HB2      AGL  18 -13.702  17.204  -5.963
  149    HB2  ABA  18           HB1      AGL  18 -13.962  15.731  -5.001
  150    HG3  ABA  18           HG       AGL  18 -14.915  14.516  -6.979
  151    H    LEU  19           HN       LEU  19 -11.354  15.691  -3.876
  152    HA   LEU  19           HA       LEU  19 -10.046  18.218  -4.183
  153    HB2  LEU  19           HB1      LEU  19 -11.238  17.422  -2.130
  154    HB3  LEU  19           HB2      LEU  19  -9.945  16.229  -1.843
  155    HG   LEU  19           HG       LEU  19  -9.912  18.325  -0.444
  156   HD11  LEU  19          HD11      LEU  19  -7.521  18.679  -0.386
  157   HD12  LEU  19          HD12      LEU  19  -7.308  18.065  -2.056
  158   HD13  LEU  19          HD13      LEU  19  -7.830  16.939  -0.742
  159   HD21  LEU  19          HD21      LEU  19  -8.959  19.795  -2.978
  160   HD22  LEU  19          HD22      LEU  19  -9.104  20.468  -1.319
  161   HD23  LEU  19          HD23      LEU  19 -10.588  19.976  -2.218
  162    H    VAL  20           HN       VAL  20  -8.707  14.912  -3.496
  163    HA   VAL  20           HA       VAL  20  -6.052  15.818  -3.373
  164    HB   VAL  20           HB       VAL  20  -7.130  12.985  -3.724
  165   HG11  VAL  20          HG11      VAL  20  -4.872  12.336  -2.749
  166   HG12  VAL  20          HG12      VAL  20  -4.713  13.080  -4.375
  167   HG13  VAL  20          HG13      VAL  20  -4.336  14.048  -2.903
  168   HG21  VAL  20          HG21      VAL  20  -7.966  14.117  -1.636
  169   HG22  VAL  20          HG22      VAL  20  -6.721  12.882  -1.231
  170   HG23  VAL  20          HG23      VAL  20  -6.282  14.627  -1.237
  171    H    THR  21           HN       THR  21  -7.933  14.328  -6.041
  172    HA   THR  21           HA       THR  21  -5.543  14.745  -7.748
  173    HB   THR  21           HB       THR  21  -6.327  13.370  -9.420
  174    HG1  THR  21           HG1      THR  21  -8.761  13.385  -8.012
  175   HG21  THR  21          HG21      THR  21  -6.874  11.985  -6.702
  176   HG22  THR  21          HG22      THR  21  -5.251  12.279  -7.430
  177   HG23  THR  21          HG23      THR  21  -6.424  11.193  -8.259
  178    H    LYS  22           HN       LYS  22  -7.793  16.694  -6.751
  179    HA   LYS  22           HA       LYS  22  -8.976  18.400  -7.461
  180    HB2  LYS  22           HB1      LYS  22  -7.783  20.091  -8.635
  181    HB3  LYS  22           HB2      LYS  22  -6.742  19.275  -7.445
  182    HG2  LYS  22           HG1      LYS  22  -5.351  18.307  -9.019
  183    HG3  LYS  22           HG2      LYS  22  -6.588  18.204 -10.282
  184    HD2  LYS  22           HD1      LYS  22  -5.151  20.785  -9.389
  185    HD3  LYS  22           HD2      LYS  22  -4.770  19.818 -10.839
  186    HE2  LYS  22           HE1      LYS  22  -7.323  21.487 -10.330
  187    HE3  LYS  22           HE2      LYS  22  -6.045  21.752 -11.579
  188    HZ1  LYS  22           HZ1      LYS  22  -7.990  19.527 -11.387
  189    HZ2  LYS  22           HZ2      LYS  22  -6.709  19.526 -12.490
  190    HZ3  LYS  22           HZ3      LYS  22  -7.931  20.713 -12.583
  191    H    LYS  23           HN       LYS  23 -10.253  16.328  -8.808
  192    HA   LYS  23           HA       LYS  23 -10.550  17.364 -11.580
  193    HB2  LYS  23           HB1      LYS  23 -10.886  15.194 -12.379
  194    HB3  LYS  23           HB2      LYS  23  -9.417  15.180 -11.354
  195    HG2  LYS  23           HG1      LYS  23 -10.749  14.206  -9.458
  196    HG3  LYS  23           HG2      LYS  23 -12.203  14.137 -10.504
  197    HD2  LYS  23           HD1      LYS  23  -9.511  12.738 -11.022
  198    HD3  LYS  23           HD2      LYS  23 -10.964  11.967 -10.308
  199    HE2  LYS  23           HE1      LYS  23 -12.244  12.294 -12.426
  200    HE3  LYS  23           HE2      LYS  23 -10.833  13.138 -13.183
  201    HZ1  LYS  23           HZ1      LYS  23 -10.787  10.364 -12.122
  202    HZ2  LYS  23           HZ2      LYS  23  -9.535  11.167 -12.932
  203    HZ3  LYS  23           HZ3      LYS  23 -10.964  10.785 -13.763
  204    H    ABA  24           HN       AGL  24 -12.305  17.901  -8.991
  205    HA   ABA  24           HA       AGL  24 -14.847  17.510 -10.479
  206    HB3  ABA  24           HB2      AGL  24 -15.982  18.278  -8.354
  207    HB2  ABA  24           HB1      AGL  24 -14.392  18.287  -7.548
  208    HG3  ABA  24           HG       AGL  24 -15.874  15.793  -8.752
  Start of MODEL    8
    1    H1   PHE   1           HN       PHE   1   2.527   2.689  -7.729
    2    HA   PHE   1           HA       PHE   1   3.594   4.910  -6.154
    3    HB2  PHE   1           HB1      PHE   1   1.140   4.839  -8.026
    4    HB3  PHE   1           HB2      PHE   1   1.468   6.191  -6.887
    5    HD1  PHE   1           HD1      PHE   1   3.842   7.264  -7.019
    6    HD2  PHE   1           HD2      PHE   1   2.021   5.024 -10.197
    7    HE1  PHE   1           HE1      PHE   1   5.307   8.406  -8.661
    8    HE2  PHE   1           HE2      PHE   1   3.476   6.170 -11.842
    9    HZ   PHE   1           HZ       PHE   1   5.123   7.858 -11.076
   10    H    LEU   2           HN       LEU   2   3.487   3.526  -4.340
   11    HA   LEU   2           HA       LEU   2   2.631   2.648  -2.508
   12    HB2  LEU   2           HB1      LEU   2   0.042   4.141  -3.241
   13    HB3  LEU   2           HB2      LEU   2   0.198   3.178  -1.769
   14    HG   LEU   2           HG       LEU   2   0.401   5.435  -1.178
   15   HD11  LEU   2          HD11      LEU   2   2.543   5.510   0.024
   16   HD12  LEU   2          HD12      LEU   2   3.243   4.250  -1.052
   17   HD13  LEU   2          HD13      LEU   2   1.872   3.838   0.056
   18   HD21  LEU   2          HD21      LEU   2   2.795   5.845  -3.060
   19   HD22  LEU   2          HD22      LEU   2   2.020   7.059  -1.980
   20   HD23  LEU   2          HD23      LEU   2   1.106   6.387  -3.385
   21    HA   PRO   3           HA       PRO   3  -0.126  -0.735  -3.887
   22    HB2  PRO   3           HB1      PRO   3  -1.400  -1.532  -1.532
   23    HB3  PRO   3           HB2      PRO   3   0.326  -1.925  -1.868
   24    HG2  PRO   3           HG1      PRO   3  -0.731   0.478  -0.265
   25    HG3  PRO   3           HG2      PRO   3   0.467  -0.772   0.276
   26    HD2  PRO   3           HD1      PRO   3   1.290   1.623  -0.786
   27    HD3  PRO   3           HD2      PRO   3   2.150   0.084  -1.249
   28    H    ILE   4           HN       ILE   4  -2.729  -1.132  -3.272
   29    HA   ILE   4           HA       ILE   4  -4.018   0.711  -4.700
   30    HB   ILE   4           HB       ILE   4  -6.137  -0.300  -3.852
   31   HG12  ILE   4          HG11      ILE   4  -4.251  -1.879  -1.971
   32   HG13  ILE   4          HG12      ILE   4  -5.445  -0.644  -1.461
   33   HG21  ILE   4          HG21      ILE   4  -5.645  -2.498  -4.829
   34   HG22  ILE   4          HG22      ILE   4  -4.721  -1.246  -5.717
   35   HG23  ILE   4          HG23      ILE   4  -3.885  -2.311  -4.523
   36   HD11  ILE   4           HD1      ILE   4  -6.417  -2.863  -1.098
   37   HD12  ILE   4           HD2      ILE   4  -7.299  -2.087  -2.462
   38   HD13  ILE   4           HD3      ILE   4  -6.074  -3.366  -2.790
   39    H    LEU   5           HN       LEU   5  -3.464   1.155  -1.302
   40    HA   LEU   5           HA       LEU   5  -5.411   2.697  -0.332
   41    HB2  LEU   5           HB1      LEU   5  -2.407   3.179  -0.024
   42    HB3  LEU   5           HB2      LEU   5  -3.676   3.698   1.130
   43    HG   LEU   5           HG       LEU   5  -2.931   0.782   0.450
   44   HD11  LEU   5          HD11      LEU   5  -1.173   1.975   1.770
   45   HD12  LEU   5          HD12      LEU   5  -2.011   0.713   2.750
   46   HD13  LEU   5          HD13      LEU   5  -2.417   2.445   2.988
   47   HD21  LEU   5          HD21      LEU   5  -5.343   0.901   1.087
   48   HD22  LEU   5          HD22      LEU   5  -4.914   1.890   2.539
   49   HD23  LEU   5          HD23      LEU   5  -4.368   0.185   2.420
   50    H    ALA   6           HN       ALA   6  -2.850   4.109  -2.485
   51    HA   ALA   6           HA       ALA   6  -3.722   6.782  -2.178
   52    HB1  ALA   6           HB1      ALA   6  -2.339   7.126  -4.283
   53    HB2  ALA   6           HB2      ALA   6  -1.481   6.110  -3.066
   54    HB3  ALA   6           HB3      ALA   6  -2.257   5.335  -4.482
   55    H    SER   7           HN       SER   7  -4.527   4.336  -4.699
   56    HA   SER   7           HA       SER   7  -6.463   5.858  -6.058
   57    HB2  SER   7           HB1      SER   7  -6.360   2.797  -5.742
   58    HB3  SER   7           HB2      SER   7  -7.164   3.712  -7.065
   59    HG   SER   7           HG1      SER   7  -5.147   4.282  -7.824
   60    H    LEU   8           HN       LEU   8  -6.709   3.581  -3.303
   61    HA   LEU   8           HA       LEU   8  -9.511   3.562  -3.165
   62    HB2  LEU   8           HB1      LEU   8  -7.443   3.075  -0.966
   63    HB3  LEU   8           HB2      LEU   8  -9.200   2.923  -0.693
   64    HG   LEU   8           HG       LEU   8  -7.591   1.212  -2.655
   65   HD11  LEU   8          HD11      LEU   8  -8.113  -0.616  -0.992
   66   HD12  LEU   8          HD12      LEU   8  -8.862   0.598   0.101
   67   HD13  LEU   8          HD13      LEU   8  -7.098   0.687  -0.264
   68   HD21  LEU   8          HD21      LEU   8  -9.951   1.456  -3.458
   69   HD22  LEU   8          HD22      LEU   8 -10.556   1.045  -1.798
   70   HD23  LEU   8          HD23      LEU   8  -9.674  -0.186  -2.769
   71    H    ALA   9           HN       ALA   9  -7.187   5.854  -1.693
   72    HA   ALA   9           HA       ALA   9  -9.014   7.206  -0.100
   73    HB1  ALA   9           HB1      ALA   9  -7.337   9.093  -0.262
   74    HB2  ALA   9           HB2      ALA   9  -6.546   7.494  -0.001
   75    HB3  ALA   9           HB3      ALA   9  -6.545   8.232  -1.634
   76    H    ALA  10           HN       ALA  10  -8.096   7.925  -3.502
   77    HA   ALA  10           HA       ALA  10 -10.114   9.796  -4.017
   78    HB1  ALA  10           HB1      ALA  10  -8.665   7.723  -5.802
   79    HB2  ALA  10           HB2      ALA  10  -9.559   9.153  -6.418
   80    HB3  ALA  10           HB3      ALA  10  -8.069   9.384  -5.431
   81    H    LYS  11           HN       LYS  11 -10.205   6.202  -4.550
   82    HA   LYS  11           HA       LYS  11 -12.766   6.279  -5.686
   83    HB2  LYS  11           HB1      LYS  11 -11.186   4.451  -6.054
   84    HB3  LYS  11           HB2      LYS  11 -11.325   3.930  -4.356
   85    HG2  LYS  11           HG1      LYS  11 -13.949   4.113  -5.871
   86    HG3  LYS  11           HG2      LYS  11 -12.785   2.967  -6.553
   87    HD2  LYS  11           HD1      LYS  11 -13.026   1.438  -4.968
   88    HD3  LYS  11           HD2      LYS  11 -12.916   2.592  -3.620
   89    HE2  LYS  11           HE1      LYS  11 -15.505   2.240  -5.291
   90    HE3  LYS  11           HE2      LYS  11 -15.127   1.211  -3.854
   91    HZ1  LYS  11           HZ1      LYS  11 -16.500   3.208  -3.373
   92    HZ2  LYS  11           HZ2      LYS  11 -15.167   4.178  -3.763
   93    HZ3  LYS  11           HZ3      LYS  11 -15.067   3.097  -2.475
   94    H    PHE  12           HN       PHE  12 -11.946   5.781  -2.206
   95    HA   PHE  12           HA       PHE  12 -14.831   5.431  -1.656
   96    HB2  PHE  12           HB1      PHE  12 -12.266   4.851  -0.099
   97    HB3  PHE  12           HB2      PHE  12 -13.769   5.194   0.818
   98    HD1  PHE  12           HD1      PHE  12 -15.849   3.930   0.380
   99    HD2  PHE  12           HD2      PHE  12 -12.025   2.680  -1.104
  100    HE1  PHE  12           HE1      PHE  12 -16.733   1.637   0.059
  101    HE2  PHE  12           HE2      PHE  12 -12.905   0.374  -1.426
  102    HZ   PHE  12           HZ       PHE  12 -15.264  -0.139  -0.854
  103    H    GLY  13           HN       GLY  13 -12.372   7.935  -1.458
  104    HA2  GLY  13           HA1      GLY  13 -14.416   9.639  -0.191
  105    HA3  GLY  13           HA2      GLY  13 -12.711  10.014  -0.604
  106    HA   PRO  14           HA       PRO  14 -14.946  10.599  -4.687
  107    HB2  PRO  14           HB1      PRO  14 -17.640  11.448  -4.588
  108    HB3  PRO  14           HB2      PRO  14 -17.119   9.734  -4.828
  109    HG2  PRO  14           HG1      PRO  14 -17.886  11.090  -2.182
  110    HG3  PRO  14           HG2      PRO  14 -18.502   9.513  -2.838
  111    HD2  PRO  14           HD1      PRO  14 -16.458   9.519  -1.017
  112    HD3  PRO  14           HD2      PRO  14 -16.380   8.421  -2.459
  113    H    LYS  15           HN       LYS  15 -15.669  12.254  -1.716
  114    HA   LYS  15           HA       LYS  15 -15.203  14.919  -2.572
  115    HB2  LYS  15           HB1      LYS  15 -14.352  13.651   0.117
  116    HB3  LYS  15           HB2      LYS  15 -14.510  15.384  -0.265
  117    HG2  LYS  15           HG1      LYS  15 -16.393  15.147   0.899
  118    HG3  LYS  15           HG2      LYS  15 -17.077  14.788  -0.713
  119    HD2  LYS  15           HD1      LYS  15 -17.070  12.379  -0.244
  120    HD3  LYS  15           HD2      LYS  15 -16.076  12.581   1.226
  121    HE2  LYS  15           HE1      LYS  15 -18.970  13.651   0.904
  122    HE3  LYS  15           HE2      LYS  15 -18.529  12.077   1.674
  123    HZ1  LYS  15           HZ1      LYS  15 -18.846  13.818   3.303
  124    HZ2  LYS  15           HZ2      LYS  15 -17.633  14.767   2.604
  125    HZ3  LYS  15           HZ3      LYS  15 -17.245  13.283   3.319
  126    H    LEU  16           HN       LEU  16 -12.932  12.281  -1.579
  127    HA   LEU  16           HA       LEU  16 -10.620  13.913  -1.836
  128    HB2  LEU  16           HB1      LEU  16 -10.895  10.897  -1.600
  129    HB3  LEU  16           HB2      LEU  16  -9.355  11.803  -1.506
  130    HG   LEU  16           HG       LEU  16 -11.702  12.081   0.468
  131   HD11  LEU  16          HD11      LEU  16 -10.181  10.954   2.095
  132   HD12  LEU  16          HD12      LEU  16  -8.957  10.711   0.801
  133   HD13  LEU  16          HD13      LEU  16 -10.554   9.880   0.697
  134   HD21  LEU  16          HD21      LEU  16  -8.861  13.281   0.591
  135   HD22  LEU  16          HD22      LEU  16 -10.105  13.384   1.876
  136   HD23  LEU  16          HD23      LEU  16 -10.378  14.220   0.306
  137    H    PHE  17           HN       PHE  17 -12.296  11.638  -4.082
  138    HA   PHE  17           HA       PHE  17 -10.280  11.715  -6.005
  139    HB2  PHE  17           HB1      PHE  17 -12.714  10.421  -5.854
  140    HB3  PHE  17           HB2      PHE  17 -13.183  11.687  -7.023
  141    HD1  PHE  17           HD1      PHE  17  -9.838  11.273  -7.955
  142    HD2  PHE  17           HD2      PHE  17 -13.474   8.986  -7.728
  143    HE1  PHE  17           HE1      PHE  17  -9.018   9.816  -9.717
  144    HE2  PHE  17           HE2      PHE  17 -12.670   7.552  -9.582
  145    HZ   PHE  17           HZ       PHE  17 -10.429   7.957 -10.577
  146    H    ABA  18           HN       AGL  18 -13.045  13.894  -5.527
  147    HA   ABA  18           HA       AGL  18 -12.314  15.724  -7.568
  148    HB3  ABA  18           HB2      AGL  18 -13.871  17.299  -6.131
  149    HB2  ABA  18           HB1      AGL  18 -14.159  15.852  -5.130
  150    HG3  ABA  18           HG       AGL  18 -15.311  14.700  -6.975
  151    H    LEU  19           HN       LEU  19 -11.356  15.580  -4.117
  152    HA   LEU  19           HA       LEU  19  -9.999  18.116  -4.439
  153    HB2  LEU  19           HB1      LEU  19 -11.330  17.442  -2.417
  154    HB3  LEU  19           HB2      LEU  19 -10.078  16.239  -2.010
  155    HG   LEU  19           HG       LEU  19 -10.058  18.388  -0.709
  156   HD11  LEU  19          HD11      LEU  19  -7.980  16.970  -0.868
  157   HD12  LEU  19          HD12      LEU  19  -7.668  18.719  -0.567
  158   HD13  LEU  19          HD13      LEU  19  -7.395  18.039  -2.202
  159   HD21  LEU  19          HD21      LEU  19  -9.177  20.482  -1.636
  160   HD22  LEU  19          HD22      LEU  19 -10.641  19.979  -2.564
  161   HD23  LEU  19          HD23      LEU  19  -8.989  19.740  -3.262
  162    H    VAL  20           HN       VAL  20  -8.792  14.790  -3.518
  163    HA   VAL  20           HA       VAL  20  -6.157  15.733  -3.165
  164    HB   VAL  20           HB       VAL  20  -7.240  12.890  -3.427
  165   HG11  VAL  20          HG11      VAL  20  -4.786  12.871  -3.904
  166   HG12  VAL  20          HG12      VAL  20  -4.479  13.946  -2.490
  167   HG13  VAL  20          HG13      VAL  20  -5.075  12.264  -2.242
  168   HG21  VAL  20          HG21      VAL  20  -8.183  14.197  -1.490
  169   HG22  VAL  20          HG22      VAL  20  -7.017  12.949  -0.915
  170   HG23  VAL  20          HG23      VAL  20  -6.512  14.674  -1.000
  171    H    THR  21           HN       THR  21  -7.646  13.793  -5.842
  172    HA   THR  21           HA       THR  21  -5.195  14.378  -7.392
  173    HB   THR  21           HB       THR  21  -5.876  12.851  -9.078
  174    HG1  THR  21           HG1      THR  21  -8.073  13.031  -8.989
  175   HG21  THR  21          HG21      THR  21  -6.275  11.595  -6.279
  176   HG22  THR  21          HG22      THR  21  -4.679  11.961  -7.043
  177   HG23  THR  21          HG23      THR  21  -5.785  10.747  -7.790
  178    H    LYS  22           HN       LYS  22  -7.793  16.074  -6.673
  179    HA   LYS  22           HA       LYS  22  -8.988  17.687  -7.585
  180    HB2  LYS  22           HB1      LYS  22  -6.467  18.210  -7.640
  181    HB3  LYS  22           HB2      LYS  22  -6.598  18.184  -9.402
  182    HG2  LYS  22           HG1      LYS  22  -8.157  19.928  -7.366
  183    HG3  LYS  22           HG2      LYS  22  -6.698  20.479  -8.218
  184    HD2  LYS  22           HD1      LYS  22  -9.393  19.855  -9.615
  185    HD3  LYS  22           HD2      LYS  22  -8.908  21.436  -8.981
  186    HE2  LYS  22           HE1      LYS  22  -8.567  21.436 -11.380
  187    HE3  LYS  22           HE2      LYS  22  -6.966  21.578 -10.555
  188    HZ1  LYS  22           HZ1      LYS  22  -8.016  18.945 -11.316
  189    HZ2  LYS  22           HZ2      LYS  22  -6.424  19.423 -11.135
  190    HZ3  LYS  22           HZ3      LYS  22  -7.301  19.914 -12.515
  191    H    LYS  23           HN       LYS  23 -10.142  15.438  -8.871
  192    HA   LYS  23           HA       LYS  23 -10.204  16.292 -11.721
  193    HB2  LYS  23           HB1      LYS  23 -10.591  14.186 -12.467
  194    HB3  LYS  23           HB2      LYS  23  -9.298  14.024 -11.270
  195    HG2  LYS  23           HG1      LYS  23 -10.543  12.773  -9.824
  196    HG3  LYS  23           HG2      LYS  23 -12.102  13.546 -10.170
  197    HD2  LYS  23           HD1      LYS  23 -10.733  11.758 -12.275
  198    HD3  LYS  23           HD2      LYS  23 -11.659  11.070 -10.919
  199    HE2  LYS  23           HE1      LYS  23 -13.098  11.157 -12.886
  200    HE3  LYS  23           HE2      LYS  23 -13.732  12.231 -11.580
  201    HZ1  LYS  23           HZ1      LYS  23 -13.828  13.235 -13.796
  202    HZ2  LYS  23           HZ2      LYS  23 -12.139  13.156 -13.927
  203    HZ3  LYS  23           HZ3      LYS  23 -12.859  14.118 -12.736
  204    H    ABA  24           HN       AGL  24 -11.998  17.192  -9.311
  205    HA   ABA  24           HA       AGL  24 -14.495  17.070 -10.899
  206    HB3  ABA  24           HB2      AGL  24 -15.510  18.330  -8.924
  207    HB2  ABA  24           HB1      AGL  24 -13.962  18.122  -8.064
  208    HG3  ABA  24           HG       AGL  24 -15.861  15.808  -9.027
  Start of MODEL    9
    1    H1   PHE   1           HN       PHE   1  -0.158   2.565  -8.305
    2    HA   PHE   1           HA       PHE   1   2.545   2.780  -7.632
    3    HB2  PHE   1           HB1      PHE   1   2.296   4.693  -9.339
    4    HB3  PHE   1           HB2      PHE   1   1.048   5.420  -8.271
    5    HD1  PHE   1           HD1      PHE   1   1.786   6.975  -6.672
    6    HD2  PHE   1           HD2      PHE   1   4.592   4.116  -8.207
    7    HE1  PHE   1           HE1      PHE   1   3.597   8.073  -5.388
    8    HE2  PHE   1           HE2      PHE   1   6.411   5.204  -6.920
    9    HZ   PHE   1           HZ       PHE   1   5.912   7.185  -5.504
   10    H    LEU   2           HN       LEU   2   2.751   3.229  -5.422
   11    HA   LEU   2           HA       LEU   2   2.158   2.684  -3.366
   12    HB2  LEU   2           HB1      LEU   2  -0.466   4.113  -4.022
   13    HB3  LEU   2           HB2      LEU   2  -0.291   3.228  -2.501
   14    HG   LEU   2           HG       LEU   2   0.026   5.562  -2.137
   15   HD11  LEU   2          HD11      LEU   2   2.723   4.112  -1.778
   16   HD12  LEU   2          HD12      LEU   2   1.290   4.001  -0.678
   17   HD13  LEU   2          HD13      LEU   2   2.152   5.566  -0.886
   18   HD21  LEU   2          HD21      LEU   2   0.885   6.236  -4.382
   19   HD22  LEU   2          HD22      LEU   2   2.491   5.527  -3.972
   20   HD23  LEU   2          HD23      LEU   2   1.856   6.920  -3.022
   21    HA   PRO   3           HA       PRO   3  -0.573  -0.961  -3.899
   22    HB2  PRO   3           HB1      PRO   3  -1.576  -1.437  -1.336
   23    HB3  PRO   3           HB2      PRO   3   0.124  -1.827  -1.791
   24    HG2  PRO   3           HG1      PRO   3  -0.873   0.749  -0.442
   25    HG3  PRO   3           HG2      PRO   3   0.434  -0.369   0.138
   26    HD2  PRO   3           HD1      PRO   3   1.013   1.881  -1.339
   27    HD3  PRO   3           HD2      PRO   3   1.909   0.329  -1.660
   28    H    ILE   4           HN       ILE   4  -3.083  -1.358  -3.036
   29    HA   ILE   4           HA       ILE   4  -4.573   0.265  -4.533
   30    HB   ILE   4           HB       ILE   4  -6.578  -0.697  -3.456
   31   HG12  ILE   4          HG11      ILE   4  -4.569  -2.052  -1.539
   32   HG13  ILE   4          HG12      ILE   4  -5.700  -0.736  -1.083
   33   HG21  ILE   4          HG21      ILE   4  -5.251  -1.810  -5.286
   34   HG22  ILE   4          HG22      ILE   4  -4.307  -2.714  -4.041
   35   HG23  ILE   4          HG23      ILE   4  -6.077  -2.981  -4.208
   36   HD11  ILE   4           HD1      ILE   4  -7.656  -2.202  -1.739
   37   HD12  ILE   4           HD2      ILE   4  -6.510  -3.549  -2.080
   38   HD13  ILE   4           HD3      ILE   4  -6.662  -2.899  -0.411
   39    H    LEU   5           HN       LEU   5  -3.758   1.112  -1.273
   40    HA   LEU   5           HA       LEU   5  -5.675   2.740  -0.365
   41    HB2  LEU   5           HB1      LEU   5  -2.683   3.363  -0.316
   42    HB3  LEU   5           HB2      LEU   5  -3.912   3.890   0.878
   43    HG   LEU   5           HG       LEU   5  -2.978   0.994   0.362
   44   HD11  LEU   5          HD11      LEU   5  -2.528   2.867   2.761
   45   HD12  LEU   5          HD12      LEU   5  -1.295   2.425   1.521
   46   HD13  LEU   5          HD13      LEU   5  -1.973   1.162   2.617
   47   HD21  LEU   5          HD21      LEU   5  -5.355   0.921   1.069
   48   HD22  LEU   5          HD22      LEU   5  -5.009   2.065   2.426
   49   HD23  LEU   5          HD23      LEU   5  -4.293   0.416   2.427
   50    H    ALA   6           HN       ALA   6  -3.344   3.839  -2.915
   51    HA   ALA   6           HA       ALA   6  -4.274   6.513  -2.981
   52    HB1  ALA   6           HB1      ALA   6  -2.984   4.722  -5.144
   53    HB2  ALA   6           HB2      ALA   6  -3.138   6.516  -5.251
   54    HB3  ALA   6           HB3      ALA   6  -2.107   5.770  -3.980
   55    H    SER   7           HN       SER   7  -5.310   3.602  -4.832
   56    HA   SER   7           HA       SER   7  -7.370   4.901  -6.288
   57    HB2  SER   7           HB1      SER   7  -7.176   1.931  -5.502
   58    HB3  SER   7           HB2      SER   7  -8.149   2.613  -6.848
   59    HG   SER   7           HG1      SER   7  -6.239   3.057  -7.927
   60    H    LEU   8           HN       LEU   8  -7.290   3.229  -3.124
   61    HA   LEU   8           HA       LEU   8 -10.093   3.319  -2.720
   62    HB2  LEU   8           HB1      LEU   8  -7.812   3.198  -0.695
   63    HB3  LEU   8           HB2      LEU   8  -9.542   3.098  -0.248
   64    HG   LEU   8           HG       LEU   8  -8.085   1.107  -2.075
   65   HD11  LEU   8          HD11      LEU   8  -8.304  -0.446  -0.128
   66   HD12  LEU   8          HD12      LEU   8  -9.069   0.865   0.842
   67   HD13  LEU   8          HD13      LEU   8  -7.352   1.022   0.321
   68   HD21  LEU   8          HD21      LEU   8 -10.512   1.210  -2.665
   69   HD22  LEU   8          HD22      LEU   8 -10.949   1.060  -0.915
   70   HD23  LEU   8          HD23      LEU   8 -10.146  -0.305  -1.769
   71    H    ALA   9           HN       ALA   9  -7.550   5.706  -1.970
   72    HA   ALA   9           HA       ALA   9  -9.200   7.626  -0.823
   73    HB1  ALA   9           HB1      ALA   9  -6.778   8.045  -2.684
   74    HB2  ALA   9           HB2      ALA   9  -7.463   9.262  -1.545
   75    HB3  ALA   9           HB3      ALA   9  -6.693   7.760  -0.912
   76    H    ALA  10           HN       ALA  10  -8.561   7.025  -4.356
   77    HA   ALA  10           HA       ALA  10 -10.414   8.898  -5.234
   78    HB1  ALA  10           HB1      ALA  10 -10.025   6.113  -6.558
   79    HB2  ALA  10           HB2      ALA  10 -10.390   7.676  -7.357
   80    HB3  ALA  10           HB3      ALA  10  -8.765   7.374  -6.634
   81    H    LYS  11           HN       LYS  11 -11.034   5.463  -4.518
   82    HA   LYS  11           HA       LYS  11 -13.686   5.613  -5.496
   83    HB2  LYS  11           HB1      LYS  11 -12.541   3.552  -5.771
   84    HB3  LYS  11           HB2      LYS  11 -12.004   3.529  -4.072
   85    HG2  LYS  11           HG1      LYS  11 -13.659   1.761  -4.475
   86    HG3  LYS  11           HG2      LYS  11 -14.186   2.938  -3.253
   87    HD2  LYS  11           HD1      LYS  11 -15.436   4.031  -5.463
   88    HD3  LYS  11           HD2      LYS  11 -15.287   2.359  -6.045
   89    HE2  LYS  11           HE1      LYS  11 -17.499   2.800  -4.948
   90    HE3  LYS  11           HE2      LYS  11 -16.586   1.545  -4.017
   91    HZ1  LYS  11           HZ1      LYS  11 -17.682   3.548  -2.792
   92    HZ2  LYS  11           HZ2      LYS  11 -16.305   4.394  -3.323
   93    HZ3  LYS  11           HZ3      LYS  11 -16.127   3.042  -2.340
   94    H    PHE  12           HN       PHE  12 -12.461   5.596  -2.113
   95    HA   PHE  12           HA       PHE  12 -15.276   5.886  -1.220
   96    HB2  PHE  12           HB1      PHE  12 -12.712   4.900   0.144
   97    HB3  PHE  12           HB2      PHE  12 -14.132   5.451   1.110
   98    HD1  PHE  12           HD1      PHE  12 -16.366   4.444   0.751
   99    HD2  PHE  12           HD2      PHE  12 -12.806   2.725  -0.912
  100    HE1  PHE  12           HE1      PHE  12 -17.568   2.303   0.412
  101    HE2  PHE  12           HE2      PHE  12 -14.006   0.579  -1.264
  102    HZ   PHE  12           HZ       PHE  12 -16.391   0.371  -0.611
  103    H    GLY  13           HN       GLY  13 -12.584   7.725  -1.984
  104    HA2  GLY  13           HA1      GLY  13 -13.827   9.986  -0.533
  105    HA3  GLY  13           HA2      GLY  13 -12.143   9.862  -1.136
  106    HA   PRO  14           HA       PRO  14 -14.712  10.900  -4.952
  107    HB2  PRO  14           HB1      PRO  14 -17.332  11.820  -4.547
  108    HB3  PRO  14           HB2      PRO  14 -16.931  10.104  -4.928
  109    HG2  PRO  14           HG1      PRO  14 -17.388  11.318  -2.147
  110    HG3  PRO  14           HG2      PRO  14 -18.133   9.819  -2.849
  111    HD2  PRO  14           HD1      PRO  14 -15.925   9.681  -1.209
  112    HD3  PRO  14           HD2      PRO  14 -16.045   8.602  -2.668
  113    H    LYS  15           HN       LYS  15 -15.253  12.350  -1.754
  114    HA   LYS  15           HA       LYS  15 -14.553  15.003  -2.591
  115    HB2  LYS  15           HB1      LYS  15 -14.298  13.601   0.137
  116    HB3  LYS  15           HB2      LYS  15 -13.808  15.287  -0.170
  117    HG2  LYS  15           HG1      LYS  15 -15.795  15.952   0.406
  118    HG3  LYS  15           HG2      LYS  15 -16.402  15.359  -1.162
  119    HD2  LYS  15           HD1      LYS  15 -17.110  13.220  -0.094
  120    HD3  LYS  15           HD2      LYS  15 -16.254  13.674   1.423
  121    HE2  LYS  15           HE1      LYS  15 -17.819  15.663   1.692
  122    HE3  LYS  15           HE2      LYS  15 -18.750  15.093   0.253
  123    HZ1  LYS  15           HZ1      LYS  15 -18.309  13.563   2.781
  124    HZ2  LYS  15           HZ2      LYS  15 -19.216  13.037   1.448
  125    HZ3  LYS  15           HZ3      LYS  15 -19.721  14.379   2.348
  126    H    LEU  16           HN       LEU  16 -12.499  12.198  -1.437
  127    HA   LEU  16           HA       LEU  16 -10.177  13.794  -1.486
  128    HB2  LEU  16           HB1      LEU  16 -10.421  10.769  -1.375
  129    HB3  LEU  16           HB2      LEU  16  -8.868  11.626  -1.458
  130    HG   LEU  16           HG       LEU  16  -9.350  10.961   0.802
  131   HD11  LEU  16          HD11      LEU  16  -9.389  14.032   0.539
  132   HD12  LEU  16          HD12      LEU  16  -7.939  12.965   0.385
  133   HD13  LEU  16          HD13      LEU  16  -8.819  13.070   1.947
  134   HD21  LEU  16          HD21      LEU  16 -11.725  12.920   0.855
  135   HD22  LEU  16          HD22      LEU  16 -11.057  11.977   2.229
  136   HD23  LEU  16          HD23      LEU  16 -11.845  11.106   0.865
  137    H    PHE  17           HN       PHE  17 -11.463  11.615  -4.129
  138    HA   PHE  17           HA       PHE  17  -9.165  12.411  -5.677
  139    HB2  PHE  17           HB1      PHE  17 -11.284  10.478  -6.050
  140    HB3  PHE  17           HB2      PHE  17 -11.334  11.563  -7.466
  141    HD1  PHE  17           HD1      PHE  17 -10.351  10.349  -9.200
  142    HD2  PHE  17           HD2      PHE  17  -8.343  10.390  -5.392
  143    HE1  PHE  17           HE1      PHE  17  -8.452   9.071 -10.167
  144    HE2  PHE  17           HE2      PHE  17  -6.465   9.155  -6.361
  145    HZ   PHE  17           HZ       PHE  17  -6.503   8.479  -8.742
  146    H    ABA  18           HN       AGL  18 -12.262  14.015  -5.183
  147    HA   ABA  18           HA       AGL  18 -11.794  15.882  -7.297
  148    HB3  ABA  18           HB2      AGL  18 -13.231  17.436  -5.736
  149    HB2  ABA  18           HB1      AGL  18 -13.432  15.990  -4.715
  150    HG3  ABA  18           HG       AGL  18 -14.745  14.841  -6.448
  151    H    LEU  19           HN       LEU  19 -10.698  15.789  -3.864
  152    HA   LEU  19           HA       LEU  19  -9.322  18.305  -4.265
  153    HB2  LEU  19           HB1      LEU  19  -9.355  16.343  -1.915
  154    HB3  LEU  19           HB2      LEU  19  -8.539  17.942  -1.898
  155    HG   LEU  19           HG       LEU  19 -11.555  17.504  -2.294
  156   HD11  LEU  19          HD11      LEU  19 -11.754  18.416   0.022
  157   HD12  LEU  19          HD12      LEU  19  -9.958  18.491   0.153
  158   HD13  LEU  19          HD13      LEU  19 -10.781  16.894  -0.001
  159   HD21  LEU  19          HD21      LEU  19  -9.902  20.087  -1.939
  160   HD22  LEU  19          HD22      LEU  19 -11.701  19.991  -1.888
  161   HD23  LEU  19          HD23      LEU  19 -10.826  19.598  -3.409
  162    H    VAL  20           HN       VAL  20  -8.087  14.979  -3.504
  163    HA   VAL  20           HA       VAL  20  -5.391  15.819  -3.517
  164    HB   VAL  20           HB       VAL  20  -6.601  13.016  -3.681
  165   HG11  VAL  20          HG11      VAL  20  -4.218  12.946  -4.412
  166   HG12  VAL  20          HG12      VAL  20  -3.731  13.978  -3.015
  167   HG13  VAL  20          HG13      VAL  20  -4.349  12.307  -2.742
  168   HG21  VAL  20          HG21      VAL  20  -7.319  14.264  -1.628
  169   HG22  VAL  20          HG22      VAL  20  -6.103  13.007  -1.204
  170   HG23  VAL  20          HG23      VAL  20  -5.606  14.735  -1.304
  171    H    THR  21           HN       THR  21  -7.392  14.111  -5.935
  172    HA   THR  21           HA       THR  21  -5.098  14.345  -7.815
  173    HB   THR  21           HB       THR  21  -7.230  12.206  -7.906
  174    HG1  THR  21           HG1      THR  21  -4.605  12.234  -6.833
  175   HG21  THR  21          HG21      THR  21  -5.406  11.005  -9.219
  176   HG22  THR  21          HG22      THR  21  -4.418  12.512  -9.205
  177   HG23  THR  21          HG23      THR  21  -5.995  12.462 -10.083
  178    H    LYS  22           HN       LYS  22  -7.646  16.031  -7.169
  179    HA   LYS  22           HA       LYS  22  -8.919  17.460  -8.249
  180    HB2  LYS  22           HB1      LYS  22  -6.369  17.873  -8.769
  181    HB3  LYS  22           HB2      LYS  22  -6.851  17.631 -10.459
  182    HG2  LYS  22           HG1      LYS  22  -7.991  19.665  -8.420
  183    HG3  LYS  22           HG2      LYS  22  -6.744  20.057  -9.626
  184    HD2  LYS  22           HD1      LYS  22  -9.663  19.234 -10.223
  185    HD3  LYS  22           HD2      LYS  22  -9.081  20.908 -10.174
  186    HE2  LYS  22           HE1      LYS  22  -8.131  18.760 -12.213
  187    HE3  LYS  22           HE2      LYS  22  -9.381  20.026 -12.511
  188    HZ1  LYS  22           HZ1      LYS  22  -6.538  20.497 -11.787
  189    HZ2  LYS  22           HZ2      LYS  22  -7.705  21.699 -12.082
  190    HZ3  LYS  22           HZ3      LYS  22  -7.221  20.659 -13.334
  191    H    LYS  23           HN       LYS  23 -10.202  15.153  -8.843
  192    HA   LYS  23           HA       LYS  23 -10.898  15.460 -11.712
  193    HB2  LYS  23           HB1      LYS  23 -11.387  13.111  -9.827
  194    HB3  LYS  23           HB2      LYS  23 -11.912  13.201 -11.541
  195    HG2  LYS  23           HG1      LYS  23  -9.009  13.196 -10.513
  196    HG3  LYS  23           HG2      LYS  23  -9.867  11.839 -11.316
  197    HD2  LYS  23           HD1      LYS  23 -10.063  13.274 -13.426
  198    HD3  LYS  23           HD2      LYS  23  -9.218  14.593 -12.573
  199    HE2  LYS  23           HE1      LYS  23  -7.589  13.595 -14.001
  200    HE3  LYS  23           HE2      LYS  23  -7.162  13.166 -12.298
  201    HZ1  LYS  23           HZ1      LYS  23  -8.225  11.027 -12.648
  202    HZ2  LYS  23           HZ2      LYS  23  -6.998  11.281 -13.798
  203    HZ3  LYS  23           HZ3      LYS  23  -8.625  11.442 -14.244
  204    H    ABA  24           HN       AGL  24 -11.762  17.217  -9.466
  205    HA   ABA  24           HA       AGL  24 -14.559  17.230 -10.398
  206    HB3  ABA  24           HB2      AGL  24 -15.182  18.516  -8.313
  207    HB2  ABA  24           HB1      AGL  24 -13.526  18.256  -7.687
  208    HG3  ABA  24           HG       AGL  24 -15.570  15.973  -8.372
  Start of MODEL   10
    1    H1   PHE   1           HN       PHE   1   4.572   1.240  -6.696
    2    HA   PHE   1           HA       PHE   1   6.030   3.157  -5.095
    3    HB2  PHE   1           HB1      PHE   1   5.287   3.678  -7.479
    4    HB3  PHE   1           HB2      PHE   1   3.577   3.572  -6.969
    5    HD1  PHE   1           HD1      PHE   1   2.545   5.613  -6.292
    6    HD2  PHE   1           HD2      PHE   1   6.827   5.290  -6.125
    7    HE1  PHE   1           HE1      PHE   1   2.697   7.990  -5.629
    8    HE2  PHE   1           HE2      PHE   1   6.980   7.677  -5.478
    9    HZ   PHE   1           HZ       PHE   1   4.913   9.026  -5.219
   10    H    LEU   2           HN       LEU   2   2.620   3.693  -5.345
   11    HA   LEU   2           HA       LEU   2   2.081   2.429  -2.762
   12    HB2  LEU   2           HB1      LEU   2   2.046   4.994  -2.573
   13    HB3  LEU   2           HB2      LEU   2   0.851   5.027  -3.898
   14    HG   LEU   2           HG       LEU   2  -0.702   3.617  -2.408
   15   HD11  LEU   2          HD11      LEU   2   0.986   2.692  -0.795
   16   HD12  LEU   2          HD12      LEU   2  -0.220   3.709   0.082
   17   HD13  LEU   2          HD13      LEU   2   1.414   4.362  -0.278
   18   HD21  LEU   2          HD21      LEU   2  -1.429   5.554  -1.035
   19   HD22  LEU   2          HD22      LEU   2  -0.970   6.088  -2.696
   20   HD23  LEU   2          HD23      LEU   2   0.154   6.368  -1.316
   21    HA   PRO   3           HA       PRO   3  -0.578   1.005  -6.128
   22    HB2  PRO   3           HB1      PRO   3  -1.305  -1.417  -5.181
   23    HB3  PRO   3           HB2      PRO   3   0.428  -0.968  -5.201
   24    HG2  PRO   3           HG1      PRO   3  -1.438  -0.758  -2.762
   25    HG3  PRO   3           HG2      PRO   3   0.157  -1.607  -2.886
   26    HD2  PRO   3           HD1      PRO   3  -0.119   1.054  -2.008
   27    HD3  PRO   3           HD2      PRO   3   1.351   0.416  -2.873
   28    H    ILE   4           HN       ILE   4  -2.867  -0.721  -4.641
   29    HA   ILE   4           HA       ILE   4  -4.999   0.748  -5.366
   30    HB   ILE   4           HB       ILE   4  -6.397  -0.714  -3.991
   31   HG12  ILE   4          HG11      ILE   4  -3.758  -1.923  -2.944
   32   HG13  ILE   4          HG12      ILE   4  -4.849  -0.871  -1.982
   33   HG21  ILE   4          HG21      ILE   4  -5.811  -2.753  -5.229
   34   HG22  ILE   4          HG22      ILE   4  -5.509  -1.323  -6.269
   35   HG23  ILE   4          HG23      ILE   4  -4.126  -2.183  -5.491
   36   HD11  ILE   4           HD1      ILE   4  -5.309  -3.226  -1.435
   37   HD12  ILE   4           HD2      ILE   4  -6.728  -2.524  -2.291
   38   HD13  ILE   4           HD3      ILE   4  -5.599  -3.625  -3.165
   39    H    LEU   5           HN       LEU   5  -3.287   1.300  -2.351
   40    HA   LEU   5           HA       LEU   5  -5.379   2.458  -0.920
   41    HB2  LEU   5           HB1      LEU   5  -2.405   3.159  -0.791
   42    HB3  LEU   5           HB2      LEU   5  -3.630   3.442   0.488
   43    HG   LEU   5           HG       LEU   5  -2.663   0.697  -0.541
   44   HD11  LEU   5          HD11      LEU   5  -0.975   1.839   0.866
   45   HD12  LEU   5          HD12      LEU   5  -1.712   0.457   1.753
   46   HD13  LEU   5          HD13      LEU   5  -2.217   2.139   2.141
   47   HD21  LEU   5          HD21      LEU   5  -5.032   0.470   0.124
   48   HD22  LEU   5          HD22      LEU   5  -4.717   1.369   1.662
   49   HD23  LEU   5          HD23      LEU   5  -3.982  -0.250   1.390
   50    H    ALA   6           HN       ALA   6  -3.317   3.984  -3.424
   51    HA   ALA   6           HA       ALA   6  -4.345   6.612  -3.099
   52    HB1  ALA   6           HB1      ALA   6  -3.474   6.879  -5.468
   53    HB2  ALA   6           HB2      ALA   6  -2.270   6.048  -4.418
   54    HB3  ALA   6           HB3      ALA   6  -3.261   5.088  -5.565
   55    H    SER   7           HN       SER   7  -5.388   3.822  -5.129
   56    HA   SER   7           HA       SER   7  -7.614   5.059  -6.294
   57    HB2  SER   7           HB1      SER   7  -7.319   2.064  -5.678
   58    HB3  SER   7           HB2      SER   7  -8.317   2.809  -6.971
   59    HG   SER   7           HG1      SER   7  -6.452   3.279  -8.073
   60    H    LEU   8           HN       LEU   8  -7.338   3.191  -3.239
   61    HA   LEU   8           HA       LEU   8 -10.103   3.232  -2.673
   62    HB2  LEU   8           HB1      LEU   8  -7.681   2.985  -0.824
   63    HB3  LEU   8           HB2      LEU   8  -9.372   2.846  -0.252
   64    HG   LEU   8           HG       LEU   8  -8.079   1.003  -2.339
   65   HD11  LEU   8          HD11      LEU   8  -8.786   0.509   0.625
   66   HD12  LEU   8          HD12      LEU   8  -7.127   0.753  -0.028
   67   HD13  LEU   8          HD13      LEU   8  -8.088  -0.694  -0.522
   68   HD21  LEU   8          HD21      LEU   8 -10.551   1.144  -2.684
   69   HD22  LEU   8          HD22      LEU   8 -10.816   0.857  -0.915
   70   HD23  LEU   8          HD23      LEU   8 -10.106  -0.437  -1.948
   71    H    ALA   9           HN       ALA   9  -7.516   5.566  -1.810
   72    HA   ALA   9           HA       ALA   9  -9.177   7.361  -0.462
   73    HB1  ALA   9           HB1      ALA   9  -6.675   7.507  -0.531
   74    HB2  ALA   9           HB2      ALA   9  -6.747   7.912  -2.279
   75    HB3  ALA   9           HB3      ALA   9  -7.430   9.055  -1.059
   76    H    ALA  10           HN       ALA  10  -8.500   7.043  -3.978
   77    HA   ALA  10           HA       ALA  10 -10.153   9.082  -4.840
   78    HB1  ALA  10           HB1      ALA  10  -8.453   7.623  -6.178
   79    HB2  ALA  10           HB2      ALA  10  -9.720   6.358  -6.277
   80    HB3  ALA  10           HB3      ALA  10 -10.010   7.952  -7.037
   81    H    LYS  11           HN       LYS  11 -11.038   5.644  -4.391
   82    HA   LYS  11           HA       LYS  11 -13.678   6.092  -5.419
   83    HB2  LYS  11           HB1      LYS  11 -12.427   4.026  -5.842
   84    HB3  LYS  11           HB2      LYS  11 -12.357   3.644  -4.103
   85    HG2  LYS  11           HG1      LYS  11 -15.072   4.020  -5.467
   86    HG3  LYS  11           HG2      LYS  11 -14.160   2.511  -5.775
   87    HD2  LYS  11           HD1      LYS  11 -14.207   1.827  -3.471
   88    HD3  LYS  11           HD2      LYS  11 -14.686   3.450  -2.910
   89    HE2  LYS  11           HE1      LYS  11 -16.916   3.131  -4.229
   90    HE3  LYS  11           HE2      LYS  11 -16.462   1.380  -4.325
   91    HZ1  LYS  11           HZ1      LYS  11 -17.773   1.740  -2.378
   92    HZ2  LYS  11           HZ2      LYS  11 -16.822   3.059  -1.892
   93    HZ3  LYS  11           HZ3      LYS  11 -16.173   1.510  -1.846
   94    H    PHE  12           HN       PHE  12 -12.408   5.472  -2.078
   95    HA   PHE  12           HA       PHE  12 -15.164   5.556  -1.090
   96    HB2  PHE  12           HB1      PHE  12 -12.454   4.951   0.209
   97    HB3  PHE  12           HB2      PHE  12 -13.885   5.361   1.214
   98    HD1  PHE  12           HD1      PHE  12 -15.854   3.985   1.288
   99    HD2  PHE  12           HD2      PHE  12 -12.405   2.792  -0.961
  100    HE1  PHE  12           HE1      PHE  12 -16.679   1.652   1.283
  101    HE2  PHE  12           HE2      PHE  12 -13.233   0.449  -0.989
  102    HZ   PHE  12           HZ       PHE  12 -15.368  -0.124   0.143
  103    H    GLY  13           HN       GLY  13 -12.479   7.701  -1.540
  104    HA2  GLY  13           HA1      GLY  13 -14.166   9.839  -0.383
  105    HA3  GLY  13           HA2      GLY  13 -12.408   9.887  -0.747
  106    HA   PRO  14           HA       PRO  14 -14.491  10.649  -4.906
  107    HB2  PRO  14           HB1      PRO  14 -17.187  11.399  -4.888
  108    HB3  PRO  14           HB2      PRO  14 -16.648   9.692  -5.127
  109    HG2  PRO  14           HG1      PRO  14 -17.548  10.981  -2.492
  110    HG3  PRO  14           HG2      PRO  14 -18.106   9.419  -3.224
  111    HD2  PRO  14           HD1      PRO  14 -16.126   9.481  -1.298
  112    HD3  PRO  14           HD2      PRO  14 -16.030   8.321  -2.693
  113    H    LYS  15           HN       LYS  15 -15.578  12.002  -1.853
  114    HA   LYS  15           HA       LYS  15 -15.077  14.735  -2.368
  115    HB2  LYS  15           HB1      LYS  15 -14.664  13.064   0.192
  116    HB3  LYS  15           HB2      LYS  15 -14.652  14.853   0.130
  117    HG2  LYS  15           HG1      LYS  15 -17.026  14.896  -0.550
  118    HG3  LYS  15           HG2      LYS  15 -17.095  13.103  -0.567
  119    HD2  LYS  15           HD1      LYS  15 -16.528  13.026   1.857
  120    HD3  LYS  15           HD2      LYS  15 -16.375  14.813   1.897
  121    HE2  LYS  15           HE1      LYS  15 -18.821  15.063   1.379
  122    HE3  LYS  15           HE2      LYS  15 -18.995  13.265   1.294
  123    HZ1  LYS  15           HZ1      LYS  15 -19.657  14.160   3.444
  124    HZ2  LYS  15           HZ2      LYS  15 -18.119  14.815   3.694
  125    HZ3  LYS  15           HZ3      LYS  15 -18.320  13.139   3.609
  126    H    LEU  16           HN       LEU  16 -12.820  12.076  -1.304
  127    HA   LEU  16           HA       LEU  16 -10.602  13.837  -1.117
  128    HB2  LEU  16           HB1      LEU  16 -10.627  10.806  -1.372
  129    HB3  LEU  16           HB2      LEU  16  -9.186  11.797  -1.015
  130    HG   LEU  16           HG       LEU  16 -11.664  11.649   0.796
  131   HD11  LEU  16          HD11      LEU  16  -8.900  10.303   1.051
  132   HD12  LEU  16          HD12      LEU  16 -10.441   9.465   0.642
  133   HD13  LEU  16          HD13      LEU  16 -10.229  10.232   2.263
  134   HD21  LEU  16          HD21      LEU  16  -8.870  12.893   1.235
  135   HD22  LEU  16          HD22      LEU  16 -10.140  12.714   2.494
  136   HD23  LEU  16          HD23      LEU  16 -10.422  13.802   1.088
  137    H    PHE  17           HN       PHE  17 -11.640  11.631  -3.836
  138    HA   PHE  17           HA       PHE  17  -9.396  12.433  -5.348
  139    HB2  PHE  17           HB1      PHE  17 -11.362  10.494  -5.717
  140    HB3  PHE  17           HB2      PHE  17 -11.836  11.677  -6.967
  141    HD1  PHE  17           HD1      PHE  17 -11.092  10.789  -9.007
  142    HD2  PHE  17           HD2      PHE  17  -8.436  10.520  -5.640
  143    HE1  PHE  17           HE1      PHE  17  -9.358   9.726 -10.437
  144    HE2  PHE  17           HE2      PHE  17  -6.736   9.449  -7.060
  145    HZ   PHE  17           HZ       PHE  17  -7.174   9.074  -9.464
  146    H    ABA  18           HN       AGL  18 -12.602  13.955  -5.074
  147    HA   ABA  18           HA       AGL  18 -12.101  15.972  -6.989
  148    HB3  ABA  18           HB2      AGL  18 -13.801  17.305  -5.514
  149    HB2  ABA  18           HB1      AGL  18 -13.914  15.829  -4.526
  150    HG3  ABA  18           HG       AGL  18 -14.961  14.569  -6.369
  151    H    LEU  19           HN       LEU  19 -11.129  15.784  -3.519
  152    HA   LEU  19           HA       LEU  19  -9.970  18.446  -3.784
  153    HB2  LEU  19           HB1      LEU  19 -10.463  16.503  -1.539
  154    HB3  LEU  19           HB2      LEU  19  -9.083  17.623  -1.337
  155    HG   LEU  19           HG       LEU  19 -11.101  18.480  -0.278
  156   HD11  LEU  19          HD11      LEU  19  -9.326  20.037  -1.127
  157   HD12  LEU  19          HD12      LEU  19 -10.962  20.794  -1.112
  158   HD13  LEU  19          HD13      LEU  19 -10.243  20.240  -2.664
  159   HD21  LEU  19          HD21      LEU  19 -12.845  17.578  -1.844
  160   HD22  LEU  19          HD22      LEU  19 -12.327  18.771  -3.094
  161   HD23  LEU  19          HD23      LEU  19 -13.033  19.350  -1.542
  162    H    VAL  20           HN       VAL  20  -8.522  15.205  -3.064
  163    HA   VAL  20           HA       VAL  20  -5.886  16.215  -2.969
  164    HB   VAL  20           HB       VAL  20  -6.931  13.357  -3.301
  165   HG11  VAL  20          HG11      VAL  20  -4.120  14.428  -2.555
  166   HG12  VAL  20          HG12      VAL  20  -4.655  12.717  -2.366
  167   HG13  VAL  20          HG13      VAL  20  -4.547  13.439  -4.003
  168   HG21  VAL  20          HG21      VAL  20  -6.471  13.235  -0.822
  169   HG22  VAL  20          HG22      VAL  20  -6.054  14.985  -0.817
  170   HG23  VAL  20          HG23      VAL  20  -7.740  14.454  -1.193
  171    H    THR  21           HN       THR  21  -7.698  14.448  -5.488
  172    HA   THR  21           HA       THR  21  -5.362  14.727  -7.276
  173    HB   THR  21           HB       THR  21  -7.799  12.983  -7.736
  174    HG1  THR  21           HG1      THR  21  -6.485  11.387  -6.872
  175   HG21  THR  21          HG21      THR  21  -6.338  13.263  -9.772
  176   HG22  THR  21          HG22      THR  21  -6.051  11.642  -9.065
  177   HG23  THR  21          HG23      THR  21  -4.868  12.968  -8.765
  178    H    LYS  22           HN       LYS  22  -7.948  16.470  -6.561
  179    HA   LYS  22           HA       LYS  22  -9.346  17.871  -7.470
  180    HB2  LYS  22           HB1      LYS  22  -8.468  19.590  -8.842
  181    HB3  LYS  22           HB2      LYS  22  -7.259  19.084  -7.623
  182    HG2  LYS  22           HG1      LYS  22  -5.945  17.888  -9.321
  183    HG3  LYS  22           HG2      LYS  22  -7.255  18.092 -10.530
  184    HD2  LYS  22           HD1      LYS  22  -6.897  20.694 -10.106
  185    HD3  LYS  22           HD2      LYS  22  -5.290  20.195  -9.502
  186    HE2  LYS  22           HE1      LYS  22  -6.547  19.728 -12.303
  187    HE3  LYS  22           HE2      LYS  22  -5.107  20.755 -11.922
  188    HZ1  LYS  22           HZ1      LYS  22  -3.927  18.760 -11.272
  189    HZ2  LYS  22           HZ2      LYS  22  -4.543  18.564 -12.848
  190    HZ3  LYS  22           HZ3      LYS  22  -5.307  17.816 -11.525
  191    H    LYS  23           HN       LYS  23 -10.237  15.432  -8.446
  192    HA   LYS  23           HA       LYS  23 -10.748  15.915 -11.308
  193    HB2  LYS  23           HB1      LYS  23 -11.207  13.457  -9.576
  194    HB3  LYS  23           HB2      LYS  23 -11.765  13.611 -11.268
  195    HG2  LYS  23           HG1      LYS  23  -9.109  14.380 -11.558
  196    HG3  LYS  23           HG2      LYS  23  -8.982  13.241 -10.196
  197    HD2  LYS  23           HD1      LYS  23  -8.626  11.965 -12.198
  198    HD3  LYS  23           HD2      LYS  23 -10.274  11.531 -11.622
  199    HE2  LYS  23           HE1      LYS  23 -11.276  13.093 -13.358
  200    HE3  LYS  23           HE2      LYS  23  -9.613  13.541 -13.900
  201    HZ1  LYS  23           HZ1      LYS  23  -9.252  11.232 -14.519
  202    HZ2  LYS  23           HZ2      LYS  23 -10.611  11.865 -15.304
  203    HZ3  LYS  23           HZ3      LYS  23 -10.811  10.810 -13.997
  204    H    ABA  24           HN       AGL  24 -12.152  17.475  -9.056
  205    HA   ABA  24           HA       AGL  24 -14.842  17.122 -10.231
  206    HB3  ABA  24           HB2      AGL  24 -15.765  18.215  -8.142
  207    HB2  ABA  24           HB1      AGL  24 -14.128  18.154  -7.426
  208    HG3  ABA  24           HG       AGL  24 -15.808  15.653  -8.313
  Start of MODEL   11
    1    H1   PHE   1           HN       PHE   1   0.552   3.648  -8.424
    2    HA   PHE   1           HA       PHE   1   3.055   2.899  -7.555
    3    HB2  PHE   1           HB1      PHE   1   3.715   5.165  -8.519
    4    HB3  PHE   1           HB2      PHE   1   2.491   5.944  -7.453
    5    HD1  PHE   1           HD1      PHE   1   3.140   6.608  -5.289
    6    HD2  PHE   1           HD2      PHE   1   5.510   3.683  -7.347
    7    HE1  PHE   1           HE1      PHE   1   4.753   6.605  -3.410
    8    HE2  PHE   1           HE2      PHE   1   7.131   3.671  -5.471
    9    HZ   PHE   1           HZ       PHE   1   6.747   5.127  -3.492
   10    H    LEU   2           HN       LEU   2   3.208   3.194  -5.185
   11    HA   LEU   2           HA       LEU   2   2.441   2.668  -3.205
   12    HB2  LEU   2           HB1      LEU   2   1.126   4.909  -3.622
   13    HB3  LEU   2           HB2      LEU   2  -0.297   3.869  -3.853
   14    HG   LEU   2           HG       LEU   2  -0.041   3.045  -1.485
   15   HD11  LEU   2          HD11      LEU   2   1.479   4.290   0.082
   16   HD12  LEU   2          HD12      LEU   2   2.170   5.210  -1.303
   17   HD13  LEU   2          HD13      LEU   2   2.456   3.434  -1.164
   18   HD21  LEU   2          HD21      LEU   2  -0.174   6.104  -1.794
   19   HD22  LEU   2          HD22      LEU   2  -0.796   5.148  -0.396
   20   HD23  LEU   2          HD23      LEU   2  -1.533   4.944  -2.031
   21    HA   PRO   3           HA       PRO   3  -0.446  -0.801  -4.125
   22    HB2  PRO   3           HB1      PRO   3  -1.611  -1.378  -1.607
   23    HB3  PRO   3           HB2      PRO   3   0.014  -1.946  -2.135
   24    HG2  PRO   3           HG1      PRO   3  -0.621   0.582  -0.509
   25    HG3  PRO   3           HG2      PRO   3   0.543  -0.748  -0.088
   26    HD2  PRO   3           HD1      PRO   3   1.461   1.511  -1.305
   27    HD3  PRO   3           HD2      PRO   3   2.017  -0.102  -1.937
   28    H    ILE   4           HN       ILE   4  -2.959  -1.229  -3.350
   29    HA   ILE   4           HA       ILE   4  -4.419   0.472  -4.798
   30    HB   ILE   4           HB       ILE   4  -6.441  -0.577  -3.823
   31   HG12  ILE   4          HG11      ILE   4  -4.455  -2.040  -1.963
   32   HG13  ILE   4          HG12      ILE   4  -5.610  -0.771  -1.442
   33   HG21  ILE   4          HG21      ILE   4  -5.900  -2.802  -4.717
   34   HG22  ILE   4          HG22      ILE   4  -5.071  -1.551  -5.698
   35   HG23  ILE   4          HG23      ILE   4  -4.136  -2.526  -4.500
   36   HD11  ILE   4           HD1      ILE   4  -6.365  -3.517  -2.642
   37   HD12  ILE   4           HD2      ILE   4  -6.557  -2.984  -0.936
   38   HD13  ILE   4           HD3      ILE   4  -7.535  -2.210  -2.233
   39    H    LEU   5           HN       LEU   5  -3.710   1.056  -1.454
   40    HA   LEU   5           HA       LEU   5  -5.562   2.643  -0.430
   41    HB2  LEU   5           HB1      LEU   5  -2.573   3.277  -0.474
   42    HB3  LEU   5           HB2      LEU   5  -3.751   3.767   0.788
   43    HG   LEU   5           HG       LEU   5  -2.842   0.893   0.132
   44   HD11  LEU   5          HD11      LEU   5  -1.751   0.986   2.352
   45   HD12  LEU   5          HD12      LEU   5  -2.305   2.683   2.575
   46   HD13  LEU   5          HD13      LEU   5  -1.120   2.290   1.274
   47   HD21  LEU   5          HD21      LEU   5  -4.089   0.240   2.219
   48   HD22  LEU   5          HD22      LEU   5  -5.196   0.804   0.921
   49   HD23  LEU   5          HD23      LEU   5  -4.793   1.892   2.306
   50    H    ALA   6           HN       ALA   6  -3.328   3.932  -2.978
   51    HA   ALA   6           HA       ALA   6  -4.285   6.590  -2.849
   52    HB1  ALA   6           HB1      ALA   6  -3.098   4.946  -5.185
   53    HB2  ALA   6           HB2      ALA   6  -3.241   6.744  -5.156
   54    HB3  ALA   6           HB3      ALA   6  -2.153   5.904  -3.997
   55    H    SER   7           HN       SER   7  -5.323   3.810  -4.888
   56    HA   SER   7           HA       SER   7  -7.469   5.164  -6.154
   57    HB2  SER   7           HB1      SER   7  -7.116   2.144  -5.687
   58    HB3  SER   7           HB2      SER   7  -8.179   2.911  -6.915
   59    HG   SER   7           HG1      SER   7  -6.379   3.485  -8.057
   60    H    LEU   8           HN       LEU   8  -7.206   3.277  -3.122
   61    HA   LEU   8           HA       LEU   8 -10.016   3.240  -2.659
   62    HB2  LEU   8           HB1      LEU   8  -7.711   3.044  -0.666
   63    HB3  LEU   8           HB2      LEU   8  -9.435   2.842  -0.234
   64    HG   LEU   8           HG       LEU   8  -7.887   1.053  -2.188
   65   HD11  LEU   8          HD11      LEU   8  -8.103  -0.658  -0.375
   66   HD12  LEU   8          HD12      LEU   8  -8.918   0.551   0.681
   67   HD13  LEU   8          HD13      LEU   8  -7.197   0.793   0.205
   68   HD21  LEU   8          HD21      LEU   8 -10.773   0.836  -1.105
   69   HD22  LEU   8          HD22      LEU   8  -9.909  -0.447  -2.027
   70   HD23  LEU   8          HD23      LEU   8 -10.296   1.114  -2.831
   71    H    ALA   9           HN       ALA   9  -7.507   5.606  -1.684
   72    HA   ALA   9           HA       ALA   9  -9.215   7.384  -0.391
   73    HB1  ALA   9           HB1      ALA   9  -6.733   7.952  -2.136
   74    HB2  ALA   9           HB2      ALA   9  -7.451   9.088  -0.933
   75    HB3  ALA   9           HB3      ALA   9  -6.707   7.542  -0.386
   76    H    ALA  10           HN       ALA  10  -8.400   7.117  -3.881
   77    HA   ALA  10           HA       ALA  10 -10.045   9.134  -4.816
   78    HB1  ALA  10           HB1      ALA  10  -9.453   6.367  -6.108
   79    HB2  ALA  10           HB2      ALA  10  -9.901   7.858  -6.977
   80    HB3  ALA  10           HB3      ALA  10  -8.315   7.756  -6.113
   81    H    LYS  11           HN       LYS  11 -10.917   5.664  -4.386
   82    HA   LYS  11           HA       LYS  11 -13.537   6.081  -5.431
   83    HB2  LYS  11           HB1      LYS  11 -12.282   4.010  -5.740
   84    HB3  LYS  11           HB2      LYS  11 -12.235   3.701  -3.987
   85    HG2  LYS  11           HG1      LYS  11 -14.933   3.985  -5.411
   86    HG3  LYS  11           HG2      LYS  11 -13.990   2.479  -5.632
   87    HD2  LYS  11           HD1      LYS  11 -13.998   1.973  -3.252
   88    HD3  LYS  11           HD2      LYS  11 -14.672   3.577  -2.849
   89    HE2  LYS  11           HE1      LYS  11 -16.793   2.947  -4.184
   90    HE3  LYS  11           HE2      LYS  11 -16.157   1.250  -4.210
   91    HZ1  LYS  11           HZ1      LYS  11 -15.951   1.478  -1.738
   92    HZ2  LYS  11           HZ2      LYS  11 -17.554   1.536  -2.306
   93    HZ3  LYS  11           HZ3      LYS  11 -16.744   2.954  -1.840
   94    H    PHE  12           HN       PHE  12 -12.361   5.617  -2.035
   95    HA   PHE  12           HA       PHE  12 -15.138   5.750  -1.110
   96    HB2  PHE  12           HB1      PHE  12 -12.440   5.212   0.248
   97    HB3  PHE  12           HB2      PHE  12 -13.885   5.644   1.225
   98    HD1  PHE  12           HD1      PHE  12 -15.870   4.267   1.272
   99    HD2  PHE  12           HD2      PHE  12 -12.323   2.992  -0.771
  100    HE1  PHE  12           HE1      PHE  12 -16.655   1.923   1.394
  101    HE2  PHE  12           HE2      PHE  12 -13.110   0.639  -0.670
  102    HZ   PHE  12           HZ       PHE  12 -15.267   0.101   0.433
  103    H    GLY  13           HN       GLY  13 -12.459   7.870  -1.620
  104    HA2  GLY  13           HA1      GLY  13 -14.102  10.055  -0.498
  105    HA3  GLY  13           HA2      GLY  13 -12.351  10.072  -0.908
  106    HA   PRO  14           HA       PRO  14 -14.497  10.736  -5.043
  107    HB2  PRO  14           HB1      PRO  14 -17.178  11.563  -4.999
  108    HB3  PRO  14           HB2      PRO  14 -16.677   9.848  -5.244
  109    HG2  PRO  14           HG1      PRO  14 -17.510  11.171  -2.607
  110    HG3  PRO  14           HG2      PRO  14 -18.109   9.612  -3.315
  111    HD2  PRO  14           HD1      PRO  14 -16.109   9.628  -1.415
  112    HD3  PRO  14           HD2      PRO  14 -16.025   8.486  -2.825
  113    H    LYS  15           HN       LYS  15 -15.384  12.204  -1.987
  114    HA   LYS  15           HA       LYS  15 -14.928  14.913  -2.673
  115    HB2  LYS  15           HB1      LYS  15 -14.125  13.579  -0.005
  116    HB3  LYS  15           HB2      LYS  15 -14.412  15.306  -0.329
  117    HG2  LYS  15           HG1      LYS  15 -16.334  14.885   0.712
  118    HG3  LYS  15           HG2      LYS  15 -16.907  14.456  -0.925
  119    HD2  LYS  15           HD1      LYS  15 -16.669  12.064  -0.454
  120    HD3  LYS  15           HD2      LYS  15 -15.711  12.358   1.022
  121    HE2  LYS  15           HE1      LYS  15 -18.697  13.129   0.708
  122    HE3  LYS  15           HE2      LYS  15 -18.100  11.594   1.454
  123    HZ1  LYS  15           HZ1      LYS  15 -18.574  13.270   3.113
  124    HZ2  LYS  15           HZ2      LYS  15 -17.468  14.346   2.417
  125    HZ3  LYS  15           HZ3      LYS  15 -16.926  12.898   3.106
  126    H    LEU  16           HN       LEU  16 -12.645  12.277  -1.684
  127    HA   LEU  16           HA       LEU  16 -10.382  13.997  -1.685
  128    HB2  LEU  16           HB1      LEU  16 -10.527  10.957  -1.724
  129    HB3  LEU  16           HB2      LEU  16  -9.037  11.914  -1.483
  130    HG   LEU  16           HG       LEU  16 -11.464  11.969   0.404
  131   HD11  LEU  16          HD11      LEU  16 -10.292   9.755   0.382
  132   HD12  LEU  16          HD12      LEU  16 -10.019  10.633   1.934
  133   HD13  LEU  16          HD13      LEU  16  -8.722  10.585   0.687
  134   HD21  LEU  16          HD21      LEU  16  -9.871  13.125   1.977
  135   HD22  LEU  16          HD22      LEU  16 -10.176  14.111   0.503
  136   HD23  LEU  16          HD23      LEU  16  -8.637  13.186   0.672
  137    H    PHE  17           HN       PHE  17 -11.637  11.649  -4.172
  138    HA   PHE  17           HA       PHE  17  -9.452  12.257  -5.847
  139    HB2  PHE  17           HB1      PHE  17 -11.418  10.332  -5.970
  140    HB3  PHE  17           HB2      PHE  17 -12.045  11.449  -7.218
  141    HD1  PHE  17           HD1      PHE  17 -11.621  10.180  -9.171
  142    HD2  PHE  17           HD2      PHE  17  -8.441  10.541  -6.303
  143    HE1  PHE  17           HE1      PHE  17 -10.099   8.930 -10.672
  144    HE2  PHE  17           HE2      PHE  17  -6.925   9.353  -7.827
  145    HZ   PHE  17           HZ       PHE  17  -7.736   8.552 -10.018
  146    H    ABA  18           HN       AGL  18 -12.618  13.889  -5.580
  147    HA   ABA  18           HA       AGL  18 -12.043  15.768  -7.621
  148    HB3  ABA  18           HB2      AGL  18 -13.706  17.244  -6.246
  149    HB2  ABA  18           HB1      AGL  18 -13.864  15.842  -5.160
  150    HG3  ABA  18           HG       AGL  18 -14.981  14.512  -6.893
  151    H    LEU  19           HN       LEU  19 -11.207  15.846  -4.089
  152    HA   LEU  19           HA       LEU  19 -10.065  18.461  -4.474
  153    HB2  LEU  19           HB1      LEU  19 -11.198  17.838  -2.373
  154    HB3  LEU  19           HB2      LEU  19 -10.000  16.541  -2.093
  155    HG   LEU  19           HG       LEU  19  -8.181  18.256  -1.886
  156   HD11  LEU  19          HD11      LEU  19  -9.047  20.082  -3.321
  157   HD12  LEU  19          HD12      LEU  19  -8.770  20.683  -1.652
  158   HD13  LEU  19          HD13      LEU  19 -10.449  20.326  -2.206
  159   HD21  LEU  19          HD21      LEU  19  -8.881  19.178   0.304
  160   HD22  LEU  19          HD22      LEU  19  -9.395  17.459   0.130
  161   HD23  LEU  19          HD23      LEU  19 -10.603  18.789  -0.061
  162    H    VAL  20           HN       VAL  20  -8.544  15.287  -3.570
  163    HA   VAL  20           HA       VAL  20  -5.936  16.422  -3.490
  164    HB   VAL  20           HB       VAL  20  -6.834  13.494  -3.509
  165   HG11  VAL  20          HG11      VAL  20  -4.569  13.102  -2.432
  166   HG12  VAL  20          HG12      VAL  20  -4.427  13.664  -4.128
  167   HG13  VAL  20          HG13      VAL  20  -4.130  14.816  -2.772
  168   HG21  VAL  20          HG21      VAL  20  -6.175  15.449  -1.200
  169   HG22  VAL  20          HG22      VAL  20  -7.806  14.769  -1.579
  170   HG23  VAL  20          HG23      VAL  20  -6.484  13.685  -1.016
  171    H    THR  21           HN       THR  21  -7.611  14.230  -5.777
  172    HA   THR  21           HA       THR  21  -5.268  14.412  -7.550
  173    HB   THR  21           HB       THR  21  -7.670  12.631  -7.985
  174    HG1  THR  21           HG1      THR  21  -6.309  11.093  -6.918
  175   HG21  THR  21          HG21      THR  21  -5.949  12.747  -9.866
  176   HG22  THR  21          HG22      THR  21  -5.839  11.170  -9.024
  177   HG23  THR  21          HG23      THR  21  -4.634  12.453  -8.663
  178    H    LYS  22           HN       LYS  22  -7.964  16.179  -7.138
  179    HA   LYS  22           HA       LYS  22  -9.209  17.544  -8.338
  180    HB2  LYS  22           HB1      LYS  22  -6.671  18.167  -8.609
  181    HB3  LYS  22           HB2      LYS  22  -6.956  17.877 -10.337
  182    HG2  LYS  22           HG1      LYS  22  -8.476  19.816  -8.456
  183    HG3  LYS  22           HG2      LYS  22  -7.133  20.310  -9.509
  184    HD2  LYS  22           HD1      LYS  22  -9.888  19.254 -10.436
  185    HD3  LYS  22           HD2      LYS  22  -9.438  20.968 -10.347
  186    HE2  LYS  22           HE1      LYS  22  -8.143  18.871 -12.242
  187    HE3  LYS  22           HE2      LYS  22  -9.387  20.098 -12.687
  188    HZ1  LYS  22           HZ1      LYS  22  -7.828  21.821 -12.050
  189    HZ2  LYS  22           HZ2      LYS  22  -7.160  20.806 -13.238
  190    HZ3  LYS  22           HZ3      LYS  22  -6.671  20.653 -11.618
  191    H    LYS  23           HN       LYS  23 -10.214  15.112  -9.019
  192    HA   LYS  23           HA       LYS  23 -10.577  15.282 -11.957
  193    HB2  LYS  23           HB1      LYS  23 -11.169  12.977 -10.060
  194    HB3  LYS  23           HB2      LYS  23 -11.505  13.005 -11.817
  195    HG2  LYS  23           HG1      LYS  23  -8.792  13.788 -11.724
  196    HG3  LYS  23           HG2      LYS  23  -8.917  12.692 -10.336
  197    HD2  LYS  23           HD1      LYS  23  -8.255  11.309 -12.189
  198    HD3  LYS  23           HD2      LYS  23  -9.967  10.937 -11.843
  199    HE2  LYS  23           HE1      LYS  23  -9.591  11.000 -14.283
  200    HE3  LYS  23           HE2      LYS  23 -10.707  12.334 -13.801
  201    HZ1  LYS  23           HZ1      LYS  23  -7.778  12.581 -14.302
  202    HZ2  LYS  23           HZ2      LYS  23  -8.812  13.832 -13.818
  203    HZ3  LYS  23           HZ3      LYS  23  -9.024  13.093 -15.333
  204    H    ABA  24           HN       AGL  24 -11.963  16.907  -9.681
  205    HA   ABA  24           HA       AGL  24 -14.614  16.699 -10.981
  206    HB3  ABA  24           HB2      AGL  24 -15.512  18.021  -9.025
  207    HB2  ABA  24           HB1      AGL  24 -13.902  17.927  -8.255
  208    HG3  ABA  24           HG       AGL  24 -15.718  15.463  -8.955
  Start of MODEL   12
    1    H1   PHE   1           HN       PHE   1   3.339   2.234  -6.670
    2    HA   PHE   1           HA       PHE   1   5.472   3.431  -5.084
    3    HB2  PHE   1           HB1      PHE   1   4.508   5.705  -5.501
    4    HB3  PHE   1           HB2      PHE   1   5.042   4.896  -7.010
    5    HD1  PHE   1           HD1      PHE   1   3.207   3.708  -8.460
    6    HD2  PHE   1           HD2      PHE   1   2.349   6.615  -5.414
    7    HE1  PHE   1           HE1      PHE   1   0.962   4.065  -9.429
    8    HE2  PHE   1           HE2      PHE   1   0.105   6.976  -6.392
    9    HZ   PHE   1           HZ       PHE   1  -0.596   5.686  -8.392
   10    H    LEU   2           HN       LEU   2   1.994   4.088  -5.179
   11    HA   LEU   2           HA       LEU   2   1.645   2.727  -2.595
   12    HB2  LEU   2           HB1      LEU   2   0.055   4.991  -3.955
   13    HB3  LEU   2           HB2      LEU   2  -0.735   3.867  -2.810
   14    HG   LEU   2           HG       LEU   2   0.840   4.543  -1.006
   15   HD11  LEU   2          HD11      LEU   2   2.098   6.708  -1.240
   16   HD12  LEU   2          HD12      LEU   2   1.749   6.709  -3.010
   17   HD13  LEU   2          HD13      LEU   2   2.778   5.412  -2.284
   18   HD21  LEU   2          HD21      LEU   2  -0.771   6.828  -2.316
   19   HD22  LEU   2          HD22      LEU   2  -0.281   6.730  -0.584
   20   HD23  LEU   2          HD23      LEU   2  -1.449   5.535  -1.258
   21    HA   PRO   3           HA       PRO   3  -0.590   0.384  -5.805
   22    HB2  PRO   3           HB1      PRO   3  -1.390  -1.818  -4.410
   23    HB3  PRO   3           HB2      PRO   3   0.352  -1.442  -4.591
   24    HG2  PRO   3           HG1      PRO   3  -1.381  -0.739  -2.151
   25    HG3  PRO   3           HG2      PRO   3   0.188  -1.645  -2.188
   26    HD2  PRO   3           HD1      PRO   3   0.022   1.128  -1.773
   27    HD3  PRO   3           HD2      PRO   3   1.431   0.342  -2.619
   28    H    ILE   4           HN       ILE   4  -2.956  -1.000  -4.038
   29    HA   ILE   4           HA       ILE   4  -5.023   0.504  -4.906
   30    HB   ILE   4           HB       ILE   4  -6.456  -0.675  -3.311
   31   HG12  ILE   4          HG11      ILE   4  -3.841  -1.890  -2.206
   32   HG13  ILE   4          HG12      ILE   4  -4.858  -0.685  -1.349
   33   HG21  ILE   4          HG21      ILE   4  -4.340  -2.460  -4.692
   34   HG22  ILE   4          HG22      ILE   4  -6.046  -2.882  -4.311
   35   HG23  ILE   4          HG23      ILE   4  -5.694  -1.610  -5.527
   36   HD11  ILE   4           HD1      ILE   4  -5.748  -3.528  -2.172
   37   HD12  ILE   4           HD2      ILE   4  -5.398  -2.934  -0.511
   38   HD13  ILE   4           HD3      ILE   4  -6.811  -2.287  -1.416
   39    H    LEU   5           HN       LEU   5  -3.171   1.354  -2.054
   40    HA   LEU   5           HA       LEU   5  -5.119   2.701  -0.626
   41    HB2  LEU   5           HB1      LEU   5  -2.146   3.407  -0.862
   42    HB3  LEU   5           HB2      LEU   5  -3.237   3.828   0.499
   43    HG   LEU   5           HG       LEU   5  -2.378   0.980  -0.322
   44   HD11  LEU   5          HD11      LEU   5  -1.587   2.708   2.097
   45   HD12  LEU   5          HD12      LEU   5  -0.535   2.329   0.683
   46   HD13  LEU   5          HD13      LEU   5  -1.077   1.012   1.788
   47   HD21  LEU   5          HD21      LEU   5  -4.092   1.936   2.059
   48   HD22  LEU   5          HD22      LEU   5  -3.429   0.278   1.852
   49   HD23  LEU   5          HD23      LEU   5  -4.651   0.900   0.691
   50    H    ALA   6           HN       ALA   6  -3.182   3.996  -3.358
   51    HA   ALA   6           HA       ALA   6  -4.181   6.652  -3.168
   52    HB1  ALA   6           HB1      ALA   6  -3.088   4.988  -5.535
   53    HB2  ALA   6           HB2      ALA   6  -3.313   6.783  -5.550
   54    HB3  ALA   6           HB3      ALA   6  -2.115   6.031  -4.440
   55    H    SER   7           HN       SER   7  -5.273   3.747  -4.987
   56    HA   SER   7           HA       SER   7  -7.489   4.920  -6.233
   57    HB2  SER   7           HB1      SER   7  -7.197   1.978  -5.401
   58    HB3  SER   7           HB2      SER   7  -8.221   2.625  -6.726
   59    HG   SER   7           HG1      SER   7  -6.374   3.029  -7.890
   60    H    LEU   8           HN       LEU   8  -7.217   3.276  -3.055
   61    HA   LEU   8           HA       LEU   8  -9.974   3.340  -2.474
   62    HB2  LEU   8           HB1      LEU   8  -7.519   3.267  -0.653
   63    HB3  LEU   8           HB2      LEU   8  -9.195   3.151  -0.034
   64    HG   LEU   8           HG       LEU   8  -7.963   1.174  -2.034
   65   HD11  LEU   8          HD11      LEU   8  -7.827  -0.390  -0.097
   66   HD12  LEU   8          HD12      LEU   8  -8.421   0.906   1.004
   67   HD13  LEU   8          HD13      LEU   8  -6.824   1.084   0.189
   68   HD21  LEU   8          HD21      LEU   8 -10.450   1.243  -2.213
   69   HD22  LEU   8          HD22      LEU   8 -10.590   1.081  -0.417
   70   HD23  LEU   8          HD23      LEU   8  -9.919  -0.271  -1.396
   71    H    ALA   9           HN       ALA   9  -7.390   5.729  -1.771
   72    HA   ALA   9           HA       ALA   9  -9.048   7.627  -0.561
   73    HB1  ALA   9           HB1      ALA   9  -6.545   7.723  -0.567
   74    HB2  ALA   9           HB2      ALA   9  -6.557   8.009  -2.340
   75    HB3  ALA   9           HB3      ALA   9  -7.248   9.249  -1.223
   76    H    ALA  10           HN       ALA  10  -8.302   7.069  -4.027
   77    HA   ALA  10           HA       ALA  10  -9.869   9.100  -5.052
   78    HB1  ALA  10           HB1      ALA  10  -9.365   6.277  -6.251
   79    HB2  ALA  10           HB2      ALA  10  -9.720   7.772  -7.168
   80    HB3  ALA  10           HB3      ALA  10  -8.166   7.612  -6.265
   81    H    LYS  11           HN       LYS  11 -10.889   5.688  -4.499
   82    HA   LYS  11           HA       LYS  11 -13.483   6.252  -5.623
   83    HB2  LYS  11           HB1      LYS  11 -12.223   4.127  -5.927
   84    HB3  LYS  11           HB2      LYS  11 -12.372   3.764  -4.193
   85    HG2  LYS  11           HG1      LYS  11 -14.767   4.029  -6.149
   86    HG3  LYS  11           HG2      LYS  11 -13.904   2.503  -5.784
   87    HD2  LYS  11           HD1      LYS  11 -14.436   2.937  -3.293
   88    HD3  LYS  11           HD2      LYS  11 -15.600   4.181  -3.863
   89    HE2  LYS  11           HE1      LYS  11 -16.868   2.427  -5.145
   90    HE3  LYS  11           HE2      LYS  11 -15.730   1.166  -4.504
   91    HZ1  LYS  11           HZ1      LYS  11 -17.685   1.334  -3.114
   92    HZ2  LYS  11           HZ2      LYS  11 -17.444   3.000  -2.897
   93    HZ3  LYS  11           HZ3      LYS  11 -16.333   1.906  -2.260
   94    H    PHE  12           HN       PHE  12 -12.325   5.515  -2.254
   95    HA   PHE  12           HA       PHE  12 -15.098   5.702  -1.343
   96    HB2  PHE  12           HB1      PHE  12 -12.459   4.936   0.030
   97    HB3  PHE  12           HB2      PHE  12 -13.953   5.271   0.971
   98    HD1  PHE  12           HD1      PHE  12 -15.958   3.924   0.726
   99    HD2  PHE  12           HD2      PHE  12 -12.305   2.864  -1.247
  100    HE1  PHE  12           HE1      PHE  12 -16.786   1.606   0.464
  101    HE2  PHE  12           HE2      PHE  12 -13.135   0.544  -1.544
  102    HZ   PHE  12           HZ       PHE  12 -15.370  -0.093  -0.675
  103    H    GLY  13           HN       GLY  13 -12.346   7.736  -1.681
  104    HA2  GLY  13           HA1      GLY  13 -13.914   9.883  -0.387
  105    HA3  GLY  13           HA2      GLY  13 -12.193   9.904  -0.892
  106    HA   PRO  14           HA       PRO  14 -14.553  10.686  -4.899
  107    HB2  PRO  14           HB1      PRO  14 -17.220  11.524  -4.746
  108    HB3  PRO  14           HB2      PRO  14 -16.745   9.797  -4.960
  109    HG2  PRO  14           HG1      PRO  14 -17.436  11.203  -2.320
  110    HG3  PRO  14           HG2      PRO  14 -18.086   9.634  -2.957
  111    HD2  PRO  14           HD1      PRO  14 -15.987   9.687  -1.164
  112    HD3  PRO  14           HD2      PRO  14 -16.004   8.496  -2.534
  113    H    LYS  15           HN       LYS  15 -15.289  12.212  -1.825
  114    HA   LYS  15           HA       LYS  15 -14.789  14.906  -2.668
  115    HB2  LYS  15           HB1      LYS  15 -14.438  13.504   0.057
  116    HB3  LYS  15           HB2      LYS  15 -14.024  15.214  -0.230
  117    HG2  LYS  15           HG1      LYS  15 -16.052  15.352   0.787
  118    HG3  LYS  15           HG2      LYS  15 -16.394  15.692  -0.938
  119    HD2  LYS  15           HD1      LYS  15 -17.346  13.430  -1.239
  120    HD3  LYS  15           HD2      LYS  15 -16.875  12.941   0.417
  121    HE2  LYS  15           HE1      LYS  15 -18.894  15.196  -0.278
  122    HE3  LYS  15           HE2      LYS  15 -19.349  13.507   0.179
  123    HZ1  LYS  15           HZ1      LYS  15 -19.448  14.998   2.066
  124    HZ2  LYS  15           HZ2      LYS  15 -17.827  15.435   1.874
  125    HZ3  LYS  15           HZ3      LYS  15 -18.228  13.851   2.303
  126    H    LEU  16           HN       LEU  16 -12.592  12.239  -1.515
  127    HA   LEU  16           HA       LEU  16 -10.333  13.945  -1.510
  128    HB2  LEU  16           HB1      LEU  16 -10.564  10.923  -1.331
  129    HB3  LEU  16           HB2      LEU  16  -9.000  11.764  -1.399
  130    HG   LEU  16           HG       LEU  16  -9.541  11.147   0.863
  131   HD11  LEU  16          HD11      LEU  16  -9.546  14.210   0.518
  132   HD12  LEU  16          HD12      LEU  16  -8.106  13.119   0.464
  133   HD13  LEU  16          HD13      LEU  16  -9.049  13.291   1.983
  134   HD21  LEU  16          HD21      LEU  16 -11.906  13.116   0.847
  135   HD22  LEU  16          HD22      LEU  16 -11.259  12.189   2.244
  136   HD23  LEU  16          HD23      LEU  16 -12.035  11.302   0.887
  137    H    PHE  17           HN       PHE  17 -11.477  11.589  -4.057
  138    HA   PHE  17           HA       PHE  17  -9.257  12.254  -5.666
  139    HB2  PHE  17           HB1      PHE  17 -11.283  10.386  -5.922
  140    HB3  PHE  17           HB2      PHE  17 -11.816  11.557  -7.156
  141    HD1  PHE  17           HD1      PHE  17 -11.367  10.311  -9.127
  142    HD2  PHE  17           HD2      PHE  17  -8.267  10.531  -6.158
  143    HE1  PHE  17           HE1      PHE  17  -9.803   9.131 -10.644
  144    HE2  PHE  17           HE2      PHE  17  -6.716   9.399  -7.687
  145    HZ   PHE  17           HZ       PHE  17  -7.463   8.714  -9.940
  146    H    ABA  18           HN       AGL  18 -12.393  13.907  -5.383
  147    HA   ABA  18           HA       AGL  18 -11.830  15.789  -7.435
  148    HB3  ABA  18           HB2      AGL  18 -13.536  17.238  -6.100
  149    HB2  ABA  18           HB1      AGL  18 -13.689  15.839  -5.006
  150    HG3  ABA  18           HG       AGL  18 -14.736  14.467  -6.748
  151    H    LEU  19           HN       LEU  19 -11.015  15.839  -3.910
  152    HA   LEU  19           HA       LEU  19  -9.814  18.449  -4.255
  153    HB2  LEU  19           HB1      LEU  19  -9.922  16.521  -1.885
  154    HB3  LEU  19           HB2      LEU  19  -9.162  18.145  -1.818
  155    HG   LEU  19           HG       LEU  19 -12.122  17.611  -2.439
  156   HD11  LEU  19          HD11      LEU  19 -10.736  18.664   0.109
  157   HD12  LEU  19          HD12      LEU  19 -11.495  17.041  -0.087
  158   HD13  LEU  19          HD13      LEU  19 -12.515  18.533  -0.146
  159   HD21  LEU  19          HD21      LEU  19 -12.375  20.095  -2.057
  160   HD22  LEU  19          HD22      LEU  19 -11.382  19.724  -3.510
  161   HD23  LEU  19          HD23      LEU  19 -10.580  20.247  -1.981
  162    H    VAL  20           HN       VAL  20  -8.375  15.213  -3.421
  163    HA   VAL  20           HA       VAL  20  -5.743  16.307  -3.296
  164    HB   VAL  20           HB       VAL  20  -6.704  13.406  -3.433
  165   HG11  VAL  20          HG11      VAL  20  -4.311  13.522  -4.105
  166   HG12  VAL  20          HG12      VAL  20  -3.943  14.623  -2.726
  167   HG13  VAL  20          HG13      VAL  20  -4.423  12.908  -2.426
  168   HG21  VAL  20          HG21      VAL  20  -6.282  13.483  -0.945
  169   HG22  VAL  20          HG22      VAL  20  -5.925  15.247  -1.069
  170   HG23  VAL  20          HG23      VAL  20  -7.581  14.630  -1.431
  171    H    THR  21           HN       THR  21  -7.489  14.276  -5.669
  172    HA   THR  21           HA       THR  21  -5.109  14.444  -7.402
  173    HB   THR  21           HB       THR  21  -7.529  12.702  -7.904
  174    HG1  THR  21           HG1      THR  21  -6.194  11.138  -6.879
  175   HG21  THR  21          HG21      THR  21  -5.852  12.875  -9.802
  176   HG22  THR  21          HG22      THR  21  -5.696  11.276  -9.011
  177   HG23  THR  21          HG23      THR  21  -4.511  12.584  -8.634
  178    H    LYS  22           HN       LYS  22  -7.838  16.210  -6.978
  179    HA   LYS  22           HA       LYS  22  -9.049  17.624  -8.160
  180    HB2  LYS  22           HB1      LYS  22  -6.673  18.474  -8.274
  181    HB3  LYS  22           HB2      LYS  22  -6.618  17.899  -9.961
  182    HG2  LYS  22           HG1      LYS  22  -9.042  19.559  -9.384
  183    HG3  LYS  22           HG2      LYS  22  -7.558  20.424  -8.913
  184    HD2  LYS  22           HD1      LYS  22  -8.120  19.225 -11.698
  185    HD3  LYS  22           HD2      LYS  22  -8.361  20.937 -11.234
  186    HE2  LYS  22           HE1      LYS  22  -5.894  21.179 -10.767
  187    HE3  LYS  22           HE2      LYS  22  -5.633  19.454 -11.244
  188    HZ1  LYS  22           HZ1      LYS  22  -6.510  19.981 -13.426
  189    HZ2  LYS  22           HZ2      LYS  22  -5.172  20.956 -13.060
  190    HZ3  LYS  22           HZ3      LYS  22  -6.740  21.600 -12.991
  191    H    LYS  23           HN       LYS  23 -10.044  15.253  -8.848
  192    HA   LYS  23           HA       LYS  23 -10.366  15.357 -11.791
  193    HB2  LYS  23           HB1      LYS  23 -10.943  13.118  -9.807
  194    HB3  LYS  23           HB2      LYS  23 -11.291  13.047 -11.557
  195    HG2  LYS  23           HG1      LYS  23  -8.516  13.880 -11.309
  196    HG3  LYS  23           HG2      LYS  23  -8.774  12.608 -10.104
  197    HD2  LYS  23           HD1      LYS  23  -8.020  11.513 -12.125
  198    HD3  LYS  23           HD2      LYS  23  -9.732  11.090 -11.851
  199    HE2  LYS  23           HE1      LYS  23  -9.302  11.473 -14.261
  200    HE3  LYS  23           HE2      LYS  23 -10.472  12.692 -13.626
  201    HZ1  LYS  23           HZ1      LYS  23  -8.636  14.242 -13.402
  202    HZ2  LYS  23           HZ2      LYS  23  -8.796  13.704 -15.009
  203    HZ3  LYS  23           HZ3      LYS  23  -7.547  13.103 -14.027
  204    H    ABA  24           HN       AGL  24 -11.842  16.990  -9.527
  205    HA   ABA  24           HA       AGL  24 -14.487  16.630 -10.812
  206    HB3  ABA  24           HB2      AGL  24 -15.433  17.947  -8.878
  207    HB2  ABA  24           HB1      AGL  24 -13.818  17.934  -8.110
  208    HG3  ABA  24           HG       AGL  24 -15.533  15.394  -8.789
  Start of MODEL   13
    1    H1   PHE   1           HN       PHE   1   0.509   4.112  -8.413
    2    HA   PHE   1           HA       PHE   1   2.831   2.888  -7.729
    3    HB2  PHE   1           HB1      PHE   1   3.908   5.066  -8.534
    4    HB3  PHE   1           HB2      PHE   1   2.949   5.958  -7.302
    5    HD1  PHE   1           HD1      PHE   1   3.940   6.292  -5.199
    6    HD2  PHE   1           HD2      PHE   1   5.325   3.032  -7.621
    7    HE1  PHE   1           HE1      PHE   1   5.623   5.731  -3.471
    8    HE2  PHE   1           HE2      PHE   1   7.010   2.460  -5.897
    9    HZ   PHE   1           HZ       PHE   1   7.154   3.805  -3.810
   10    H    LEU   2           HN       LEU   2   3.169   3.212  -5.265
   11    HA   LEU   2           HA       LEU   2   2.376   2.641  -3.301
   12    HB2  LEU   2           HB1      LEU   2   1.109   4.925  -3.602
   13    HB3  LEU   2           HB2      LEU   2  -0.331   3.930  -3.919
   14    HG   LEU   2           HG       LEU   2  -0.159   2.977  -1.603
   15   HD11  LEU   2          HD11      LEU   2   2.129   5.037  -1.242
   16   HD12  LEU   2          HD12      LEU   2   2.345   3.248  -1.208
   17   HD13  LEU   2          HD13      LEU   2   1.372   4.063   0.069
   18   HD21  LEU   2          HD21      LEU   2  -1.557   4.976  -2.073
   19   HD22  LEU   2          HD22      LEU   2  -0.155   6.054  -1.730
   20   HD23  LEU   2          HD23      LEU   2  -0.858   5.046  -0.411
   21    HA   PRO   3           HA       PRO   3  -0.540  -0.703  -4.521
   22    HB2  PRO   3           HB1      PRO   3  -1.617  -1.633  -2.102
   23    HB3  PRO   3           HB2      PRO   3   0.047  -2.013  -2.669
   24    HG2  PRO   3           HG1      PRO   3  -0.764   0.274  -0.784
   25    HG3  PRO   3           HG2      PRO   3   0.465  -1.029  -0.485
   26    HD2  PRO   3           HD1      PRO   3   1.262   1.395  -1.448
   27    HD3  PRO   3           HD2      PRO   3   1.934  -0.114  -2.210
   28    H    ILE   4           HN       ILE   4  -3.052  -1.224  -3.529
   29    HA   ILE   4           HA       ILE   4  -4.573   0.478  -4.879
   30    HB   ILE   4           HB       ILE   4  -6.519  -0.563  -4.027
   31   HG12  ILE   4          HG11      ILE   4  -6.139  -0.575  -1.595
   32   HG13  ILE   4          HG12      ILE   4  -6.635  -2.155  -2.242
   33   HG21  ILE   4          HG21      ILE   4  -4.219  -2.603  -4.324
   34   HG22  ILE   4          HG22      ILE   4  -5.973  -2.891  -4.586
   35   HG23  ILE   4          HG23      ILE   4  -5.086  -1.756  -5.660
   36   HD11  ILE   4           HD1      ILE   4  -3.786  -1.400  -1.313
   37   HD12  ILE   4           HD2      ILE   4  -4.952  -2.491  -0.500
   38   HD13  ILE   4           HD3      ILE   4  -4.241  -2.981  -2.073
   39    H    LEU   5           HN       LEU   5  -3.670   1.107  -1.601
   40    HA   LEU   5           HA       LEU   5  -5.591   2.627  -0.522
   41    HB2  LEU   5           HB1      LEU   5  -2.610   3.299  -0.520
   42    HB3  LEU   5           HB2      LEU   5  -3.806   3.719   0.750
   43    HG   LEU   5           HG       LEU   5  -2.838   0.888  -0.008
   44   HD11  LEU   5          HD11      LEU   5  -1.752   0.920   2.217
   45   HD12  LEU   5          HD12      LEU   5  -2.330   2.601   2.495
   46   HD13  LEU   5          HD13      LEU   5  -1.141   2.265   1.182
   47   HD21  LEU   5          HD21      LEU   5  -4.076   0.136   2.053
   48   HD22  LEU   5          HD22      LEU   5  -5.186   0.719   0.766
   49   HD23  LEU   5          HD23      LEU   5  -4.817   1.769   2.190
   50    H    ALA   6           HN       ALA   6  -3.365   3.922  -3.060
   51    HA   ALA   6           HA       ALA   6  -4.311   6.585  -2.940
   52    HB1  ALA   6           HB1      ALA   6  -3.277   6.725  -5.249
   53    HB2  ALA   6           HB2      ALA   6  -2.187   5.887  -4.090
   54    HB3  ALA   6           HB3      ALA   6  -3.137   4.926  -5.272
   55    H    SER   7           HN       SER   7  -5.397   3.775  -4.917
   56    HA   SER   7           HA       SER   7  -7.546   5.141  -6.177
   57    HB2  SER   7           HB1      SER   7  -7.237   2.121  -5.686
   58    HB3  SER   7           HB2      SER   7  -8.274   2.901  -6.929
   59    HG   SER   7           HG1      SER   7  -6.443   3.439  -8.053
   60    H    LEU   8           HN       LEU   8  -7.265   3.302  -3.117
   61    HA   LEU   8           HA       LEU   8 -10.066   3.292  -2.619
   62    HB2  LEU   8           HB1      LEU   8  -7.743   3.152  -0.642
   63    HB3  LEU   8           HB2      LEU   8  -9.463   2.978  -0.186
   64    HG   LEU   8           HG       LEU   8  -7.936   1.105  -2.074
   65   HD11  LEU   8          HD11      LEU   8  -9.007   0.722   0.801
   66   HD12  LEU   8          HD12      LEU   8  -7.279   0.943   0.346
   67   HD13  LEU   8          HD13      LEU   8  -8.176  -0.529  -0.194
   68   HD21  LEU   8          HD21      LEU   8  -9.978  -0.366  -1.869
   69   HD22  LEU   8          HD22      LEU   8 -10.334   1.163  -2.743
   70   HD23  LEU   8          HD23      LEU   8 -10.834   0.967  -1.014
   71    H    ALA   9           HN       ALA   9  -7.543   5.687  -1.793
   72    HA   ALA   9           HA       ALA   9  -9.234   7.514  -0.542
   73    HB1  ALA   9           HB1      ALA   9  -6.797   8.047  -2.354
   74    HB2  ALA   9           HB2      ALA   9  -7.514   9.212  -1.179
   75    HB3  ALA   9           HB3      ALA   9  -6.734   7.699  -0.592
   76    H    ALA  10           HN       ALA  10  -8.565   7.022  -4.041
   77    HA   ALA  10           HA       ALA  10 -10.256   9.001  -4.992
   78    HB1  ALA  10           HB1      ALA  10  -8.570   7.400  -6.256
   79    HB2  ALA  10           HB2      ALA  10  -9.897   6.203  -6.306
   80    HB3  ALA  10           HB3      ALA  10 -10.111   7.779  -7.123
   81    H    LYS  11           HN       LYS  11 -11.061   5.585  -4.360
   82    HA   LYS  11           HA       LYS  11 -13.708   5.890  -5.370
   83    HB2  LYS  11           HB1      LYS  11 -12.390   3.845  -5.625
   84    HB3  LYS  11           HB2      LYS  11 -12.308   3.603  -3.861
   85    HG2  LYS  11           HG1      LYS  11 -15.029   3.775  -5.251
   86    HG3  LYS  11           HG2      LYS  11 -14.068   2.276  -5.434
   87    HD2  LYS  11           HD1      LYS  11 -14.119   1.758  -3.101
   88    HD3  LYS  11           HD2      LYS  11 -14.555   3.426  -2.650
   89    HE2  LYS  11           HE1      LYS  11 -16.821   3.061  -3.887
   90    HE3  LYS  11           HE2      LYS  11 -16.411   1.296  -3.864
   91    HZ1  LYS  11           HZ1      LYS  11 -16.047   1.606  -1.411
   92    HZ2  LYS  11           HZ2      LYS  11 -17.657   1.838  -1.913
   93    HZ3  LYS  11           HZ3      LYS  11 -16.657   3.163  -1.558
   94    H    PHE  12           HN       PHE  12 -12.428   5.629  -2.000
   95    HA   PHE  12           HA       PHE  12 -15.180   5.802  -0.998
   96    HB2  PHE  12           HB1      PHE  12 -12.446   5.349   0.321
   97    HB3  PHE  12           HB2      PHE  12 -13.880   5.820   1.297
   98    HD1  PHE  12           HD1      PHE  12 -15.831   4.416   1.483
   99    HD2  PHE  12           HD2      PHE  12 -12.346   3.087  -0.632
  100    HE1  PHE  12           HE1      PHE  12 -16.596   2.073   1.714
  101    HE2  PHE  12           HE2      PHE  12 -13.116   0.735  -0.423
  102    HZ   PHE  12           HZ       PHE  12 -15.232   0.226   0.769
  103    H    GLY  13           HN       GLY  13 -12.512   7.890  -1.729
  104    HA2  GLY  13           HA1      GLY  13 -14.159  10.128  -0.714
  105    HA3  GLY  13           HA2      GLY  13 -12.397  10.119  -1.055
  106    HA   PRO  14           HA       PRO  14 -14.451  10.791  -5.247
  107    HB2  PRO  14           HB1      PRO  14 -17.143  11.587  -5.211
  108    HB3  PRO  14           HB2      PRO  14 -16.622   9.883  -5.491
  109    HG2  PRO  14           HG1      PRO  14 -17.504  11.135  -2.834
  110    HG3  PRO  14           HG2      PRO  14 -18.067   9.582  -3.581
  111    HD2  PRO  14           HD1      PRO  14 -16.097   9.615  -1.652
  112    HD3  PRO  14           HD2      PRO  14 -15.980   8.477  -3.066
  113    H    LYS  15           HN       LYS  15 -15.477  12.188  -2.194
  114    HA   LYS  15           HA       LYS  15 -14.980  14.915  -2.765
  115    HB2  LYS  15           HB1      LYS  15 -14.399  13.319  -0.184
  116    HB3  LYS  15           HB2      LYS  15 -14.482  15.102  -0.307
  117    HG2  LYS  15           HG1      LYS  15 -16.910  14.965  -0.858
  118    HG3  LYS  15           HG2      LYS  15 -16.848  13.175  -0.746
  119    HD2  LYS  15           HD1      LYS  15 -16.055  13.356   1.635
  120    HD3  LYS  15           HD2      LYS  15 -16.146  15.143   1.524
  121    HE2  LYS  15           HE1      LYS  15 -18.640  15.006   1.170
  122    HE3  LYS  15           HE2      LYS  15 -18.552  13.202   1.262
  123    HZ1  LYS  15           HZ1      LYS  15 -19.203  14.184   3.364
  124    HZ2  LYS  15           HZ2      LYS  15 -17.787  15.104   3.436
  125    HZ3  LYS  15           HZ3      LYS  15 -17.705  13.417   3.523
  126    H    LEU  16           HN       LEU  16 -12.731  12.270  -1.675
  127    HA   LEU  16           HA       LEU  16 -10.485  13.992  -1.563
  128    HB2  LEU  16           HB1      LEU  16 -10.598  10.954  -1.683
  129    HB3  LEU  16           HB2      LEU  16  -9.123  11.906  -1.369
  130    HG   LEU  16           HG       LEU  16 -11.607  11.905   0.443
  131   HD11  LEU  16          HD11      LEU  16 -10.402   9.700   0.401
  132   HD12  LEU  16          HD12      LEU  16 -10.198  10.545   1.984
  133   HD13  LEU  16          HD13      LEU  16  -8.858  10.548   0.783
  134   HD21  LEU  16          HD21      LEU  16  -8.794  13.122   0.837
  135   HD22  LEU  16          HD22      LEU  16 -10.079  13.034   2.090
  136   HD23  LEU  16          HD23      LEU  16 -10.325  14.054   0.628
  137    H    PHE  17           HN       PHE  17 -11.530  11.671  -4.185
  138    HA   PHE  17           HA       PHE  17  -9.244  12.417  -5.693
  139    HB2  PHE  17           HB1      PHE  17 -11.286  10.459  -6.010
  140    HB3  PHE  17           HB2      PHE  17 -11.509  11.528  -7.423
  141    HD1  PHE  17           HD1      PHE  17 -10.571  10.382  -9.236
  142    HD2  PHE  17           HD2      PHE  17  -8.370  10.408  -5.544
  143    HE1  PHE  17           HE1      PHE  17  -8.706   9.146 -10.319
  144    HE2  PHE  17           HE2      PHE  17  -6.539   9.168  -6.622
  145    HZ   PHE  17           HZ       PHE  17  -6.684   8.562  -9.018
  146    H    ABA  18           HN       AGL  18 -12.404  14.003  -5.452
  147    HA   ABA  18           HA       AGL  18 -11.820  15.862  -7.533
  148    HB3  ABA  18           HB2      AGL  18 -13.492  17.352  -6.162
  149    HB2  ABA  18           HB1      AGL  18 -13.701  15.919  -5.124
  150    HG3  ABA  18           HG       AGL  18 -14.804  14.668  -6.912
  151    H    LEU  19           HN       LEU  19 -11.018  15.903  -4.005
  152    HA   LEU  19           HA       LEU  19  -9.806  18.516  -4.354
  153    HB2  LEU  19           HB1      LEU  19  -9.986  16.631  -1.949
  154    HB3  LEU  19           HB2      LEU  19  -9.227  18.255  -1.895
  155    HG   LEU  19           HG       LEU  19 -12.168  17.707  -2.581
  156   HD11  LEU  19          HD11      LEU  19 -10.842  18.836  -0.034
  157   HD12  LEU  19          HD12      LEU  19 -11.604  17.211  -0.200
  158   HD13  LEU  19          HD13      LEU  19 -12.615  18.704  -0.330
  159   HD21  LEU  19          HD21      LEU  19 -12.421  20.206  -2.293
  160   HD22  LEU  19          HD22      LEU  19 -11.390  19.781  -3.703
  161   HD23  LEU  19          HD23      LEU  19 -10.627  20.352  -2.172
  162    H    VAL  20           HN       VAL  20  -8.447  15.296  -3.424
  163    HA   VAL  20           HA       VAL  20  -5.790  16.320  -3.255
  164    HB   VAL  20           HB       VAL  20  -6.821  13.441  -3.427
  165   HG11  VAL  20          HG11      VAL  20  -4.580  12.906  -2.345
  166   HG12  VAL  20          HG12      VAL  20  -4.405  13.533  -4.017
  167   HG13  VAL  20          HG13      VAL  20  -4.074  14.615  -2.614
  168   HG21  VAL  20          HG21      VAL  20  -7.758  14.666  -1.448
  169   HG22  VAL  20          HG22      VAL  20  -6.496  13.495  -0.923
  170   HG23  VAL  20          HG23      VAL  20  -6.102  15.249  -1.023
  171    H    THR  21           HN       THR  21  -7.550  14.304  -5.646
  172    HA   THR  21           HA       THR  21  -5.137  14.440  -7.334
  173    HB   THR  21           HB       THR  21  -7.517  12.629  -7.764
  174    HG1  THR  21           HG1      THR  21  -6.187  11.154  -6.696
  175   HG21  THR  21          HG21      THR  21  -4.508  12.525  -8.539
  176   HG22  THR  21          HG22      THR  21  -5.861  12.808  -9.697
  177   HG23  THR  21          HG23      THR  21  -5.700  11.222  -8.883
  178    H    LYS  22           HN       LYS  22  -7.862  16.230  -7.033
  179    HA   LYS  22           HA       LYS  22  -8.963  17.658  -8.302
  180    HB2  LYS  22           HB1      LYS  22  -6.377  18.165  -8.519
  181    HB3  LYS  22           HB2      LYS  22  -6.645  17.869 -10.246
  182    HG2  LYS  22           HG1      LYS  22  -8.184  19.867  -8.442
  183    HG3  LYS  22           HG2      LYS  22  -6.756  20.323  -9.396
  184    HD2  LYS  22           HD1      LYS  22  -9.485  19.378 -10.496
  185    HD3  LYS  22           HD2      LYS  22  -8.930  21.063 -10.434
  186    HE2  LYS  22           HE1      LYS  22  -7.666  18.804 -12.159
  187    HE3  LYS  22           HE2      LYS  22  -8.764  20.112 -12.740
  188    HZ1  LYS  22           HZ1      LYS  22  -6.090  20.453 -11.493
  189    HZ2  LYS  22           HZ2      LYS  22  -7.099  21.717 -12.021
  190    HZ3  LYS  22           HZ3      LYS  22  -6.458  20.612 -13.144
  191    H    LYS  23           HN       LYS  23  -9.992  15.212  -8.965
  192    HA   LYS  23           HA       LYS  23 -10.331  15.402 -11.909
  193    HB2  LYS  23           HB1      LYS  23 -10.952  13.070 -10.057
  194    HB3  LYS  23           HB2      LYS  23 -11.310  13.153 -11.809
  195    HG2  LYS  23           HG1      LYS  23  -8.651  13.796 -11.932
  196    HG3  LYS  23           HG2      LYS  23  -8.634  12.940 -10.381
  197    HD2  LYS  23           HD1      LYS  23  -8.076  11.305 -12.069
  198    HD3  LYS  23           HD2      LYS  23  -9.718  10.932 -11.478
  199    HE2  LYS  23           HE1      LYS  23  -9.561  10.615 -13.939
  200    HE3  LYS  23           HE2      LYS  23 -10.740  11.921 -13.540
  201    HZ1  LYS  23           HZ1      LYS  23  -9.292  12.546 -15.349
  202    HZ2  LYS  23           HZ2      LYS  23  -7.909  12.314 -14.395
  203    HZ3  LYS  23           HZ3      LYS  23  -9.012  13.538 -14.001
  204    H    ABA  24           HN       AGL  24 -11.678  17.034  -9.614
  205    HA   ABA  24           HA       AGL  24 -14.324  16.890 -10.934
  206    HB3  ABA  24           HB2      AGL  24 -15.220  18.223  -8.994
  207    HB2  ABA  24           HB1      AGL  24 -13.630  18.091  -8.189
  208    HG3  ABA  24           HG       AGL  24 -15.485  15.679  -8.958
  Start of MODEL   14
    1    H1   PHE   1           HN       PHE   1   1.678   3.254  -8.033
    2    HA   PHE   1           HA       PHE   1   3.995   3.890  -6.528
    3    HB2  PHE   1           HB1      PHE   1   3.673   6.004  -7.913
    4    HB3  PHE   1           HB2      PHE   1   1.980   6.105  -7.336
    5    HD1  PHE   1           HD1      PHE   1   1.544   7.396  -5.428
    6    HD2  PHE   1           HD2      PHE   1   5.514   5.862  -6.010
    7    HE1  PHE   1           HE1      PHE   1   2.307   8.612  -3.410
    8    HE2  PHE   1           HE2      PHE   1   6.273   7.065  -3.975
    9    HZ   PHE   1           HZ       PHE   1   4.666   8.434  -2.675
   10    H    LEU   2           HN       LEU   2   3.586   3.723  -4.372
   11    HA   LEU   2           HA       LEU   2   2.616   2.927  -2.580
   12    HB2  LEU   2           HB1      LEU   2   0.146   4.326  -3.690
   13    HB3  LEU   2           HB2      LEU   2   0.086   3.458  -2.143
   14    HG   LEU   2           HG       LEU   2   2.055   5.738  -2.744
   15   HD11  LEU   2          HD11      LEU   2  -0.241   6.618  -2.843
   16   HD12  LEU   2          HD12      LEU   2   0.535   7.146  -1.314
   17   HD13  LEU   2          HD13      LEU   2  -0.658   5.794  -1.291
   18   HD21  LEU   2          HD21      LEU   2   2.291   5.835  -0.248
   19   HD22  LEU   2          HD22      LEU   2   2.831   4.244  -0.886
   20   HD23  LEU   2          HD23      LEU   2   1.220   4.394  -0.092
   21    HA   PRO   3           HA       PRO   3   0.200  -0.756  -3.716
   22    HB2  PRO   3           HB1      PRO   3  -1.329  -1.296  -1.437
   23    HB3  PRO   3           HB2      PRO   3   0.441  -1.634  -1.512
   24    HG2  PRO   3           HG1      PRO   3  -0.889   0.909  -0.409
   25    HG3  PRO   3           HG2      PRO   3   0.284  -0.185   0.444
   26    HD2  PRO   3           HD1      PRO   3   1.132   2.083  -0.854
   27    HD3  PRO   3           HD2      PRO   3   2.097   0.550  -0.995
   28    H    ILE   4           HN       ILE   4  -2.356  -1.263  -3.618
   29    HA   ILE   4           HA       ILE   4  -3.499   0.452  -5.294
   30    HB   ILE   4           HB       ILE   4  -5.635  -0.706  -4.942
   31   HG12  ILE   4          HG11      ILE   4  -4.147  -2.182  -2.677
   32   HG13  ILE   4          HG12      ILE   4  -5.467  -0.993  -2.439
   33   HG21  ILE   4          HG21      ILE   4  -4.781  -2.865  -5.747
   34   HG22  ILE   4          HG22      ILE   4  -3.775  -1.549  -6.420
   35   HG23  ILE   4          HG23      ILE   4  -3.156  -2.549  -5.057
   36   HD11  ILE   4           HD1      ILE   4  -6.392  -3.269  -2.284
   37   HD12  ILE   4           HD2      ILE   4  -7.028  -2.470  -3.764
   38   HD13  ILE   4           HD3      ILE   4  -5.727  -3.704  -3.892
   39    H    LEU   5           HN       LEU   5  -3.705   0.815  -1.879
   40    HA   LEU   5           HA       LEU   5  -5.867   2.200  -1.267
   41    HB2  LEU   5           HB1      LEU   5  -3.058   2.935  -0.304
   42    HB3  LEU   5           HB2      LEU   5  -4.595   3.103   0.602
   43    HG   LEU   5           HG       LEU   5  -3.192   0.473  -0.205
   44   HD11  LEU   5          HD11      LEU   5  -2.829   0.203   2.227
   45   HD12  LEU   5          HD12      LEU   5  -3.638   1.781   2.541
   46   HD13  LEU   5          HD13      LEU   5  -2.081   1.735   1.637
   47   HD21  LEU   5          HD21      LEU   5  -5.792   0.862   1.413
   48   HD22  LEU   5          HD22      LEU   5  -4.892  -0.684   1.223
   49   HD23  LEU   5          HD23      LEU   5  -5.663   0.080  -0.211
   50    H    ALA   6           HN       ALA   6  -3.167   3.752  -3.064
   51    HA   ALA   6           HA       ALA   6  -4.025   6.412  -2.863
   52    HB1  ALA   6           HB1      ALA   6  -1.831   5.615  -3.846
   53    HB2  ALA   6           HB2      ALA   6  -2.712   4.883  -5.221
   54    HB3  ALA   6           HB3      ALA   6  -2.702   6.679  -5.002
   55    H    SER   7           HN       SER   7  -5.072   3.784  -5.041
   56    HA   SER   7           HA       SER   7  -6.907   5.481  -6.499
   57    HB2  SER   7           HB1      SER   7  -7.554   3.543  -7.767
   58    HB3  SER   7           HB2      SER   7  -5.768   3.513  -7.612
   59    HG   SER   7           HG1      SER   7  -6.119   1.999  -5.838
   60    H    LEU   8           HN       LEU   8  -7.067   3.590  -3.530
   61    HA   LEU   8           HA       LEU   8  -9.919   3.420  -3.500
   62    HB2  LEU   8           HB1      LEU   8  -7.968   3.422  -1.145
   63    HB3  LEU   8           HB2      LEU   8  -9.729   3.173  -1.008
   64    HG   LEU   8           HG       LEU   8  -7.797   1.338  -2.518
   65   HD11  LEU   8          HD11      LEU   8  -9.400   0.926   0.094
   66   HD12  LEU   8          HD12      LEU   8  -7.645   1.288   0.014
   67   HD13  LEU   8          HD13      LEU   8  -8.281  -0.257  -0.672
   68   HD21  LEU   8          HD21      LEU   8 -10.036   1.268  -3.622
   69   HD22  LEU   8          HD22      LEU   8 -10.833   1.062  -2.006
   70   HD23  LEU   8          HD23      LEU   8  -9.764  -0.231  -2.662
   71    H    ALA   9           HN       ALA   9  -7.629   5.928  -2.376
   72    HA   ALA   9           HA       ALA   9  -9.589   7.724  -1.476
   73    HB1  ALA   9           HB1      ALA   9  -7.123   8.013  -1.101
   74    HB2  ALA   9           HB2      ALA   9  -6.897   8.306  -2.861
   75    HB3  ALA   9           HB3      ALA   9  -7.845   9.472  -1.864
   76    H    ALA  10           HN       ALA  10  -8.253   7.205  -4.762
   77    HA   ALA  10           HA       ALA  10  -9.830   9.091  -6.076
   78    HB1  ALA  10           HB1      ALA  10  -7.756   7.946  -6.967
   79    HB2  ALA  10           HB2      ALA  10  -8.741   6.467  -7.252
   80    HB3  ALA  10           HB3      ALA  10  -9.110   8.003  -8.135
   81    H    LYS  11           HN       LYS  11 -10.716   5.683  -5.462
   82    HA   LYS  11           HA       LYS  11 -13.193   6.101  -6.933
   83    HB2  LYS  11           HB1      LYS  11 -11.908   4.016  -7.143
   84    HB3  LYS  11           HB2      LYS  11 -12.158   3.645  -5.422
   85    HG2  LYS  11           HG1      LYS  11 -14.582   4.130  -7.246
   86    HG3  LYS  11           HG2      LYS  11 -13.683   2.584  -7.368
   87    HD2  LYS  11           HD1      LYS  11 -14.069   2.047  -5.023
   88    HD3  LYS  11           HD2      LYS  11 -14.833   3.638  -4.717
   89    HE2  LYS  11           HE1      LYS  11 -16.698   3.026  -6.353
   90    HE3  LYS  11           HE2      LYS  11 -15.995   1.356  -6.436
   91    HZ1  LYS  11           HZ1      LYS  11 -17.674   1.419  -4.751
   92    HZ2  LYS  11           HZ2      LYS  11 -16.994   2.791  -4.022
   93    HZ3  LYS  11           HZ3      LYS  11 -16.173   1.330  -3.963
   94    H    PHE  12           HN       PHE  12 -12.362   5.516  -3.432
   95    HA   PHE  12           HA       PHE  12 -15.237   5.589  -2.854
   96    HB2  PHE  12           HB1      PHE  12 -12.728   4.738  -1.298
   97    HB3  PHE  12           HB2      PHE  12 -14.250   5.097  -0.427
   98    HD1  PHE  12           HD1      PHE  12 -16.275   3.823  -0.766
   99    HD2  PHE  12           HD2      PHE  12 -12.544   2.650  -2.522
  100    HE1  PHE  12           HE1      PHE  12 -17.105   1.500  -0.954
  101    HE2  PHE  12           HE2      PHE  12 -13.374   0.319  -2.731
  102    HZ   PHE  12           HZ       PHE  12 -15.650  -0.263  -1.929
  103    H    GLY  13           HN       GLY  13 -12.605   7.754  -2.939
  104    HA2  GLY  13           HA1      GLY  13 -14.113   9.608  -1.189
  105    HA3  GLY  13           HA2      GLY  13 -12.384   9.684  -1.662
  106    HA   PRO  14           HA       PRO  14 -14.661  11.725  -5.223
  107    HB2  PRO  14           HB1      PRO  14 -17.370  12.325  -4.923
  108    HB3  PRO  14           HB2      PRO  14 -16.797  10.794  -5.710
  109    HG2  PRO  14           HG1      PRO  14 -17.687  11.166  -2.796
  110    HG3  PRO  14           HG2      PRO  14 -18.191   9.875  -3.969
  111    HD2  PRO  14           HD1      PRO  14 -16.170   9.509  -2.091
  112    HD3  PRO  14           HD2      PRO  14 -16.097   8.721  -3.727
  113    H    LYS  15           HN       LYS  15 -15.761  12.026  -1.850
  114    HA   LYS  15           HA       LYS  15 -15.320  14.829  -1.677
  115    HB2  LYS  15           HB1      LYS  15 -16.627  13.580   0.040
  116    HB3  LYS  15           HB2      LYS  15 -15.188  12.610   0.448
  117    HG2  LYS  15           HG1      LYS  15 -15.558  14.264   2.171
  118    HG3  LYS  15           HG2      LYS  15 -14.026  14.656   1.315
  119    HD2  LYS  15           HD1      LYS  15 -15.273  16.385  -0.053
  120    HD3  LYS  15           HD2      LYS  15 -16.747  16.079   0.925
  121    HE2  LYS  15           HE1      LYS  15 -14.015  17.150   1.942
  122    HE3  LYS  15           HE2      LYS  15 -15.505  18.138   1.670
  123    HZ1  LYS  15           HZ1      LYS  15 -16.623  16.801   3.363
  124    HZ2  LYS  15           HZ2      LYS  15 -15.249  17.576   3.977
  125    HZ3  LYS  15           HZ3      LYS  15 -15.202  15.916   3.634
  126    H    LEU  16           HN       LEU  16 -13.082  12.024  -1.100
  127    HA   LEU  16           HA       LEU  16 -10.958  13.746  -0.319
  128    HB2  LEU  16           HB1      LEU  16 -10.774  10.863  -1.329
  129    HB3  LEU  16           HB2      LEU  16  -9.468  11.787  -0.545
  130    HG   LEU  16           HG       LEU  16 -12.120  11.092   0.846
  131   HD11  LEU  16          HD11      LEU  16  -9.330   9.806   1.078
  132   HD12  LEU  16          HD12      LEU  16 -10.781   9.050   0.315
  133   HD13  LEU  16          HD13      LEU  16 -10.763   9.401   2.080
  134   HD21  LEU  16          HD21      LEU  16 -11.038  13.132   1.823
  135   HD22  LEU  16          HD22      LEU  16  -9.471  12.245   1.933
  136   HD23  LEU  16          HD23      LEU  16 -10.858  11.726   2.928
  137    H    PHE  17           HN       PHE  17 -11.643  12.181  -3.524
  138    HA   PHE  17           HA       PHE  17  -9.101  13.282  -4.466
  139    HB2  PHE  17           HB1      PHE  17 -10.231  10.812  -4.597
  140    HB3  PHE  17           HB2      PHE  17 -10.831  11.436  -6.145
  141    HD1  PHE  17           HD1      PHE  17  -7.776  10.805  -4.061
  142    HD2  PHE  17           HD2      PHE  17  -9.289  11.538  -8.015
  143    HE1  PHE  17           HE1      PHE  17  -5.581  10.192  -5.012
  144    HE2  PHE  17           HE2      PHE  17  -7.097  10.899  -8.973
  145    HZ   PHE  17           HZ       PHE  17  -5.241  10.214  -7.478
  146    H    ABA  18           HN       AGL  18 -11.822  14.837  -4.267
  147    HA   ABA  18           HA       AGL  18 -11.065  16.215  -6.790
  148    HB3  ABA  18           HB2      AGL  18 -13.076  17.672  -6.445
  149    HB2  ABA  18           HB1      AGL  18 -13.520  16.692  -5.013
  150    HG3  ABA  18           HG       AGL  18 -14.028  14.708  -6.395
  151    H    LEU  19           HN       LEU  19 -10.058  15.821  -3.723
  152    HA   LEU  19           HA       LEU  19  -9.222  18.648  -3.506
  153    HB2  LEU  19           HB1      LEU  19 -10.898  18.066  -1.728
  154    HB3  LEU  19           HB2      LEU  19  -9.857  16.698  -1.214
  155    HG   LEU  19           HG       LEU  19  -8.029  18.328  -0.612
  156   HD11  LEU  19          HD11      LEU  19 -10.123  20.489  -1.308
  157   HD12  LEU  19          HD12      LEU  19  -8.532  20.219  -2.126
  158   HD13  LEU  19          HD13      LEU  19  -8.574  20.770  -0.421
  159   HD21  LEU  19          HD21      LEU  19  -9.617  17.540   1.122
  160   HD22  LEU  19          HD22      LEU  19 -10.726  18.913   0.739
  161   HD23  LEU  19          HD23      LEU  19  -9.095  19.232   1.423
  162    H    VAL  20           HN       VAL  20  -8.336  15.277  -2.552
  163    HA   VAL  20           HA       VAL  20  -5.604  15.828  -2.080
  164    HB   VAL  20           HB       VAL  20  -7.150  13.254  -2.649
  165   HG11  VAL  20          HG11      VAL  20  -5.133  12.079  -1.604
  166   HG12  VAL  20          HG12      VAL  20  -4.766  12.799  -3.205
  167   HG13  VAL  20          HG13      VAL  20  -4.225  13.639  -1.702
  168   HG21  VAL  20          HG21      VAL  20  -6.054  14.525  -0.052
  169   HG22  VAL  20          HG22      VAL  20  -7.795  14.442  -0.523
  170   HG23  VAL  20          HG23      VAL  20  -6.889  12.923  -0.163
  171    H    THR  21           HN       THR  21  -7.424  15.282  -4.958
  172    HA   THR  21           HA       THR  21  -5.309  15.916  -6.684
  173    HB   THR  21           HB       THR  21  -6.300  13.054  -6.685
  174    HG1  THR  21           HG1      THR  21  -4.271  13.957  -5.618
  175   HG21  THR  21          HG21      THR  21  -4.854  12.751  -8.800
  176   HG22  THR  21          HG22      THR  21  -4.747  14.523  -8.915
  177   HG23  THR  21          HG23      THR  21  -6.374  13.657  -9.036
  178    H    LYS  22           HN       LYS  22  -6.535  15.894  -9.018
  179    HA   LYS  22           HA       LYS  22  -9.380  16.535  -8.496
  180    HB2  LYS  22           HB1      LYS  22  -8.041  18.437  -9.380
  181    HB3  LYS  22           HB2      LYS  22  -7.313  17.369 -10.607
  182    HG2  LYS  22           HG1      LYS  22  -9.603  17.118 -11.727
  183    HG3  LYS  22           HG2      LYS  22 -10.202  18.425 -10.619
  184    HD2  LYS  22           HD1      LYS  22  -8.717  20.045 -11.682
  185    HD3  LYS  22           HD2      LYS  22  -7.629  18.749 -12.259
  186    HE2  LYS  22           HE1      LYS  22  -8.763  19.675 -14.202
  187    HE3  LYS  22           HE2      LYS  22  -9.299  17.976 -13.960
  188    HZ1  LYS  22           HZ1      LYS  22 -11.149  19.395 -14.448
  189    HZ2  LYS  22           HZ2      LYS  22 -10.785  20.429 -13.159
  190    HZ3  LYS  22           HZ3      LYS  22 -11.285  18.851 -12.858
  191    H    LYS  23           HN       LYS  23 -10.542  14.593  -8.934
  192    HA   LYS  23           HA       LYS  23 -10.444  14.016 -11.849
  193    HB2  LYS  23           HB1      LYS  23 -11.637  11.971 -11.457
  194    HB3  LYS  23           HB2      LYS  23 -10.169  11.996 -10.405
  195    HG2  LYS  23           HG1      LYS  23 -11.619  12.760  -8.496
  196    HG3  LYS  23           HG2      LYS  23 -13.080  12.527  -9.515
  197    HD2  LYS  23           HD1      LYS  23 -11.007  10.344  -8.938
  198    HD3  LYS  23           HD2      LYS  23 -12.431  10.628  -7.904
  199    HE2  LYS  23           HE1      LYS  23 -14.001  10.112  -9.726
  200    HE3  LYS  23           HE2      LYS  23 -12.659   9.964 -10.906
  201    HZ1  LYS  23           HZ1      LYS  23 -13.586   7.861  -9.797
  202    HZ2  LYS  23           HZ2      LYS  23 -12.661   8.356  -8.458
  203    HZ3  LYS  23           HZ3      LYS  23 -11.900   8.058  -9.915
  204    H    ABA  24           HN       AGL  24 -11.686  16.184  -9.920
  205    HA   ABA  24           HA       AGL  24 -14.482  16.013 -10.849
  206    HB3  ABA  24           HB2      AGL  24 -14.958  17.673  -9.031
  207    HB2  ABA  24           HB1      AGL  24 -13.214  17.705  -8.625
  208    HG3  ABA  24           HG       AGL  24 -14.806  15.025  -8.608
  Start of MODEL   15
    1    H1   PHE   1           HN       PHE   1   3.514   3.979  -7.512
    2    HA   PHE   1           HA       PHE   1   5.385   3.612  -5.385
    3    HB2  PHE   1           HB1      PHE   1   5.102   6.051  -4.965
    4    HB3  PHE   1           HB2      PHE   1   5.378   5.727  -6.710
    5    HD1  PHE   1           HD1      PHE   1   3.555   6.056  -8.354
    6    HD2  PHE   1           HD2      PHE   1   2.963   6.850  -4.174
    7    HE1  PHE   1           HE1      PHE   1   1.501   7.330  -8.886
    8    HE2  PHE   1           HE2      PHE   1   0.921   8.143  -4.707
    9    HZ   PHE   1           HZ       PHE   1   0.182   8.378  -7.065
   10    H    LEU   2           HN       LEU   2   2.119   3.081  -5.757
   11    HA   LEU   2           HA       LEU   2   1.772   2.479  -2.976
   12    HB2  LEU   2           HB1      LEU   2   0.045   4.498  -4.553
   13    HB3  LEU   2           HB2      LEU   2  -0.705   3.520  -3.253
   14    HG   LEU   2           HG       LEU   2   1.637   5.438  -2.818
   15   HD11  LEU   2          HD11      LEU   2  -0.066   6.927  -1.763
   16   HD12  LEU   2          HD12      LEU   2  -1.374   5.764  -2.203
   17   HD13  LEU   2          HD13      LEU   2  -0.458   6.625  -3.499
   18   HD21  LEU   2          HD21      LEU   2   1.599   3.621  -1.122
   19   HD22  LEU   2          HD22      LEU   2  -0.165   3.899  -0.833
   20   HD23  LEU   2          HD23      LEU   2   1.039   5.163  -0.389
   21    HA   PRO   3           HA       PRO   3  -0.753  -0.207  -5.627
   22    HB2  PRO   3           HB1      PRO   3  -1.669  -2.028  -3.818
   23    HB3  PRO   3           HB2      PRO   3   0.096  -1.759  -3.976
   24    HG2  PRO   3           HG1      PRO   3  -1.740  -0.486  -1.866
   25    HG3  PRO   3           HG2      PRO   3  -0.209  -1.419  -1.599
   26    HD2  PRO   3           HD1      PRO   3  -0.326   1.401  -1.855
   27    HD3  PRO   3           HD2      PRO   3   1.130   0.402  -2.305
   28    H    ILE   4           HN       ILE   4  -3.237  -1.211  -4.099
   29    HA   ILE   4           HA       ILE   4  -5.144   0.382  -5.111
   30    HB   ILE   4           HB       ILE   4  -6.758  -0.755  -3.669
   31   HG12  ILE   4          HG11      ILE   4  -4.298  -2.069  -2.340
   32   HG13  ILE   4          HG12      ILE   4  -5.363  -0.852  -1.567
   33   HG21  ILE   4          HG21      ILE   4  -4.593  -2.611  -4.871
   34   HG22  ILE   4          HG22      ILE   4  -6.342  -2.965  -4.655
   35   HG23  ILE   4          HG23      ILE   4  -5.832  -1.701  -5.817
   36   HD11  ILE   4           HD1      ILE   4  -7.342  -2.402  -1.857
   37   HD12  ILE   4           HD2      ILE   4  -6.234  -3.657  -2.521
   38   HD13  ILE   4           HD3      ILE   4  -6.041  -3.099  -0.825
   39    H    LEU   5           HN       LEU   5  -3.510   1.149  -2.119
   40    HA   LEU   5           HA       LEU   5  -5.498   2.521  -0.795
   41    HB2  LEU   5           HB1      LEU   5  -2.510   3.187  -0.866
   42    HB3  LEU   5           HB2      LEU   5  -3.666   3.635   0.428
   43    HG   LEU   5           HG       LEU   5  -2.819   0.767  -0.325
   44   HD11  LEU   5          HD11      LEU   5  -2.151   2.495   2.131
   45   HD12  LEU   5          HD12      LEU   5  -1.018   2.087   0.789
   46   HD13  LEU   5          HD13      LEU   5  -1.656   0.787   1.865
   47   HD21  LEU   5          HD21      LEU   5  -4.672   1.766   1.932
   48   HD22  LEU   5          HD22      LEU   5  -4.015   0.098   1.785
   49   HD23  LEU   5          HD23      LEU   5  -5.145   0.720   0.536
   50    H    ALA   6           HN       ALA   6  -3.431   3.826  -3.430
   51    HA   ALA   6           HA       ALA   6  -4.401   6.484  -3.277
   52    HB1  ALA   6           HB1      ALA   6  -3.545   6.590  -5.658
   53    HB2  ALA   6           HB2      ALA   6  -2.360   5.775  -4.577
   54    HB3  ALA   6           HB3      ALA   6  -3.396   4.791  -5.665
   55    H    SER   7           HN       SER   7  -5.577   3.601  -5.104
   56    HA   SER   7           HA       SER   7  -7.763   4.890  -6.328
   57    HB2  SER   7           HB1      SER   7  -7.521   1.904  -5.638
   58    HB3  SER   7           HB2      SER   7  -8.554   2.633  -6.913
   59    HG   SER   7           HG1      SER   7  -6.737   3.030  -8.103
   60    H    LEU   8           HN       LEU   8  -7.486   3.121  -3.223
   61    HA   LEU   8           HA       LEU   8 -10.240   3.243  -2.607
   62    HB2  LEU   8           HB1      LEU   8  -7.793   3.006  -0.796
   63    HB3  LEU   8           HB2      LEU   8  -9.478   2.904  -0.195
   64    HG   LEU   8           HG       LEU   8  -8.232   0.990  -2.250
   65   HD11  LEU   8          HD11      LEU   8  -7.241   0.769   0.038
   66   HD12  LEU   8          HD12      LEU   8  -8.259  -0.662  -0.382
   67   HD13  LEU   8          HD13      LEU   8  -8.892   0.598   0.738
   68   HD21  LEU   8          HD21      LEU   8 -10.956   0.907  -0.797
   69   HD22  LEU   8          HD22      LEU   8 -10.262  -0.422  -1.793
   70   HD23  LEU   8          HD23      LEU   8 -10.702   1.137  -2.576
   71    H    ALA   9           HN       ALA   9  -7.590   5.543  -1.908
   72    HA   ALA   9           HA       ALA   9  -9.145   7.439  -0.587
   73    HB1  ALA   9           HB1      ALA   9  -6.640   7.515  -0.748
   74    HB2  ALA   9           HB2      ALA   9  -6.771   7.892  -2.502
   75    HB3  ALA   9           HB3      ALA   9  -7.391   9.064  -1.277
   76    H    ALA  10           HN       ALA  10  -8.716   6.873  -4.122
   77    HA   ALA  10           HA       ALA  10 -10.437   8.941  -4.888
   78    HB1  ALA  10           HB1      ALA  10 -10.452   7.823  -7.085
   79    HB2  ALA  10           HB2      ALA  10  -8.830   7.492  -6.365
   80    HB3  ALA  10           HB3      ALA  10 -10.088   6.221  -6.357
   81    H    LYS  11           HN       LYS  11 -11.227   5.493  -4.383
   82    HA   LYS  11           HA       LYS  11 -13.882   5.864  -5.301
   83    HB2  LYS  11           HB1      LYS  11 -12.557   3.795  -5.563
   84    HB3  LYS  11           HB2      LYS  11 -12.598   3.503  -3.803
   85    HG2  LYS  11           HG1      LYS  11 -15.189   3.755  -5.451
   86    HG3  LYS  11           HG2      LYS  11 -14.246   2.233  -5.467
   87    HD2  LYS  11           HD1      LYS  11 -14.474   1.932  -3.052
   88    HD3  LYS  11           HD2      LYS  11 -15.247   3.531  -2.869
   89    HE2  LYS  11           HE1      LYS  11 -17.169   2.676  -4.394
   90    HE3  LYS  11           HE2      LYS  11 -16.468   1.021  -4.157
   91    HZ1  LYS  11           HZ1      LYS  11 -18.082   1.405  -2.465
   92    HZ2  LYS  11           HZ2      LYS  11 -17.436   2.931  -2.091
   93    HZ3  LYS  11           HZ3      LYS  11 -16.560   1.548  -1.713
   94    H    PHE  12           HN       PHE  12 -12.567   5.524  -1.967
   95    HA   PHE  12           HA       PHE  12 -15.315   5.837  -0.931
   96    HB2  PHE  12           HB1      PHE  12 -12.630   5.010   0.319
   97    HB3  PHE  12           HB2      PHE  12 -14.046   5.470   1.332
   98    HD1  PHE  12           HD1      PHE  12 -16.186   4.252   1.145
   99    HD2  PHE  12           HD2      PHE  12 -12.575   2.810  -0.664
  100    HE1  PHE  12           HE1      PHE  12 -17.107   1.956   1.160
  101    HE2  PHE  12           HE2      PHE  12 -13.496   0.506  -0.669
  102    HZ   PHE  12           HZ       PHE  12 -15.753   0.071   0.267
  103    H    GLY  13           HN       GLY  13 -12.626   7.683  -1.788
  104    HA2  GLY  13           HA1      GLY  13 -13.966   9.973  -0.473
  105    HA3  GLY  13           HA2      GLY  13 -12.225   9.864  -0.929
  106    HA   PRO  14           HA       PRO  14 -14.383  10.553  -5.049
  107    HB2  PRO  14           HB1      PRO  14 -17.057  11.436  -5.048
  108    HB3  PRO  14           HB2      PRO  14 -16.574   9.710  -5.237
  109    HG2  PRO  14           HG1      PRO  14 -17.417  11.115  -2.645
  110    HG3  PRO  14           HG2      PRO  14 -18.016   9.543  -3.313
  111    HD2  PRO  14           HD1      PRO  14 -16.035   9.585  -1.396
  112    HD3  PRO  14           HD2      PRO  14 -15.937   8.424  -2.792
  113    H    LYS  15           HN       LYS  15 -15.569  12.291  -2.185
  114    HA   LYS  15           HA       LYS  15 -14.817  14.842  -3.119
  115    HB2  LYS  15           HB1      LYS  15 -15.210  15.729  -1.060
  116    HB3  LYS  15           HB2      LYS  15 -16.349  14.367  -1.135
  117    HG2  LYS  15           HG1      LYS  15 -13.674  14.467   0.431
  118    HG3  LYS  15           HG2      LYS  15 -15.315  14.755   1.080
  119    HD2  LYS  15           HD1      LYS  15 -15.919  12.361   0.272
  120    HD3  LYS  15           HD2      LYS  15 -14.161  12.086   0.097
  121    HE2  LYS  15           HE1      LYS  15 -15.714  12.832   2.680
  122    HE3  LYS  15           HE2      LYS  15 -14.996  11.221   2.286
  123    HZ1  LYS  15           HZ1      LYS  15 -13.493  13.764   2.692
  124    HZ2  LYS  15           HZ2      LYS  15 -12.801  12.258   2.335
  125    HZ3  LYS  15           HZ3      LYS  15 -13.624  12.490   3.796
  126    H    LEU  16           HN       LEU  16 -12.817  12.237  -1.743
  127    HA   LEU  16           HA       LEU  16 -10.590  13.998  -1.269
  128    HB2  LEU  16           HB1      LEU  16 -10.563  10.956  -1.420
  129    HB3  LEU  16           HB2      LEU  16  -9.209  11.997  -0.916
  130    HG   LEU  16           HG       LEU  16 -11.884  11.786   0.565
  131   HD11  LEU  16          HD11      LEU  16 -10.554  10.517   2.285
  132   HD12  LEU  16          HD12      LEU  16  -9.104  10.628   1.232
  133   HD13  LEU  16          HD13      LEU  16 -10.527   9.682   0.685
  134   HD21  LEU  16          HD21      LEU  16  -9.241  13.237   1.242
  135   HD22  LEU  16          HD22      LEU  16 -10.572  13.012   2.416
  136   HD23  LEU  16          HD23      LEU  16 -10.824  14.026   0.936
  137    H    PHE  17           HN       PHE  17 -11.352  11.615  -3.957
  138    HA   PHE  17           HA       PHE  17  -8.975  12.489  -5.266
  139    HB2  PHE  17           HB1      PHE  17 -11.046  10.515  -5.904
  140    HB3  PHE  17           HB2      PHE  17 -10.735  11.521  -7.347
  141    HD1  PHE  17           HD1      PHE  17  -9.481  10.177  -8.756
  142    HD2  PHE  17           HD2      PHE  17  -8.262  10.448  -4.634
  143    HE1  PHE  17           HE1      PHE  17  -7.462   8.833  -9.252
  144    HE2  PHE  17           HE2      PHE  17  -6.251   9.130  -5.144
  145    HZ   PHE  17           HZ       PHE  17  -5.849   8.298  -7.442
  146    H    ABA  18           HN       AGL  18 -12.286  13.788  -5.477
  147    HA   ABA  18           HA       AGL  18 -11.699  15.588  -7.556
  148    HB3  ABA  18           HB2      AGL  18 -13.506  17.052  -6.303
  149    HB2  ABA  18           HB1      AGL  18 -13.647  15.670  -5.191
  150    HG3  ABA  18           HG       AGL  18 -14.501  14.195  -6.998
  151    H    LEU  19           HN       LEU  19 -11.016  15.881  -4.014
  152    HA   LEU  19           HA       LEU  19  -9.837  18.465  -4.480
  153    HB2  LEU  19           HB1      LEU  19 -10.955  17.681  -2.351
  154    HB3  LEU  19           HB2      LEU  19  -9.561  16.614  -2.042
  155    HG   LEU  19           HG       LEU  19  -9.628  18.770  -0.757
  156   HD11  LEU  19          HD11      LEU  19  -7.282  19.353  -0.865
  157   HD12  LEU  19          HD12      LEU  19  -7.114  18.691  -2.521
  158   HD13  LEU  19          HD13      LEU  19  -7.436  17.576  -1.138
  159   HD21  LEU  19          HD21      LEU  19  -9.096  20.937  -1.781
  160   HD22  LEU  19          HD22      LEU  19 -10.572  20.249  -2.561
  161   HD23  LEU  19          HD23      LEU  19  -8.980  20.192  -3.411
  162    H    VAL  20           HN       VAL  20  -8.398  15.250  -3.645
  163    HA   VAL  20           HA       VAL  20  -5.764  16.185  -3.659
  164    HB   VAL  20           HB       VAL  20  -6.890  13.355  -3.774
  165   HG11  VAL  20          HG11      VAL  20  -4.588  12.684  -2.910
  166   HG12  VAL  20          HG12      VAL  20  -4.540  13.269  -4.608
  167   HG13  VAL  20          HG13      VAL  20  -3.999  14.348  -3.268
  168   HG21  VAL  20          HG21      VAL  20  -5.760  15.112  -1.483
  169   HG22  VAL  20          HG22      VAL  20  -7.499  14.690  -1.712
  170   HG23  VAL  20          HG23      VAL  20  -6.300  13.403  -1.321
  171    H    THR  21           HN       THR  21  -7.606  14.494  -6.263
  172    HA   THR  21           HA       THR  21  -5.153  14.791  -7.924
  173    HB   THR  21           HB       THR  21  -5.916  13.171  -9.462
  174    HG1  THR  21           HG1      THR  21  -8.206  13.055  -7.801
  175   HG21  THR  21          HG21      THR  21  -4.621  12.463  -7.421
  176   HG22  THR  21          HG22      THR  21  -5.718  11.185  -8.053
  177   HG23  THR  21          HG23      THR  21  -6.178  12.112  -6.573
  178    H    LYS  22           HN       LYS  22  -7.982  16.409  -7.359
  179    HA   LYS  22           HA       LYS  22  -9.173  17.902  -8.474
  180    HB2  LYS  22           HB1      LYS  22  -6.650  18.530  -8.746
  181    HB3  LYS  22           HB2      LYS  22  -6.893  18.207 -10.473
  182    HG2  LYS  22           HG1      LYS  22  -8.510  20.195  -8.719
  183    HG3  LYS  22           HG2      LYS  22  -7.032  20.656  -9.592
  184    HD2  LYS  22           HD1      LYS  22  -9.717  19.778 -10.827
  185    HD3  LYS  22           HD2      LYS  22  -9.078  21.435 -10.766
  186    HE2  LYS  22           HE1      LYS  22  -7.915  19.075 -12.424
  187    HE3  LYS  22           HE2      LYS  22  -8.836  20.494 -13.046
  188    HZ1  LYS  22           HZ1      LYS  22  -7.048  21.910 -12.242
  189    HZ2  LYS  22           HZ2      LYS  22  -6.464  20.730 -13.321
  190    HZ3  LYS  22           HZ3      LYS  22  -6.216  20.548 -11.650
  191    H    LYS  23           HN       LYS  23  -9.973  15.290  -9.250
  192    HA   LYS  23           HA       LYS  23 -10.515  15.638 -12.148
  193    HB2  LYS  23           HB1      LYS  23 -10.697  13.120 -10.455
  194    HB3  LYS  23           HB2      LYS  23 -11.237  13.278 -12.156
  195    HG2  LYS  23           HG1      LYS  23  -8.751  14.256 -12.530
  196    HG3  LYS  23           HG2      LYS  23  -8.407  13.376 -11.022
  197    HD2  LYS  23           HD1      LYS  23  -7.831  11.913 -12.812
  198    HD3  LYS  23           HD2      LYS  23  -9.365  11.263 -12.147
  199    HE2  LYS  23           HE1      LYS  23 -10.642  12.302 -14.067
  200    HE3  LYS  23           HE2      LYS  23  -9.121  13.072 -14.669
  201    HZ1  LYS  23           HZ1      LYS  23  -8.206  10.876 -15.029
  202    HZ2  LYS  23           HZ2      LYS  23  -9.662  11.064 -15.870
  203    HZ3  LYS  23           HZ3      LYS  23  -9.622  10.140 -14.451
  204    H    ABA  24           HN       AGL  24 -11.880  17.077  -9.880
  205    HA   ABA  24           HA       AGL  24 -14.578  16.614 -10.987
  206    HB3  ABA  24           HB2      AGL  24 -15.513  17.711  -8.917
  207    HB2  ABA  24           HB1      AGL  24 -13.864  17.766  -8.227
  208    HG3  ABA  24           HG       AGL  24 -15.381  15.130  -9.006
  Start of MODEL   16
    1    H1   PHE   1           HN       PHE   1  -0.212   3.898  -8.349
    2    HA   PHE   1           HA       PHE   1   2.359   3.151  -7.846
    3    HB2  PHE   1           HB1      PHE   1   2.861   5.430  -8.950
    4    HB3  PHE   1           HB2      PHE   1   1.935   6.216  -7.626
    5    HD1  PHE   1           HD1      PHE   1   3.175   6.929  -5.770
    6    HD2  PHE   1           HD2      PHE   1   4.737   3.727  -8.162
    7    HE1  PHE   1           HE1      PHE   1   5.202   6.862  -4.347
    8    HE2  PHE   1           HE2      PHE   1   6.767   3.652  -6.745
    9    HZ   PHE   1           HZ       PHE   1   6.999   5.216  -4.826
   10    H    LEU   2           HN       LEU   2   2.850   3.689  -5.436
   11    HA   LEU   2           HA       LEU   2   2.271   2.997  -3.418
   12    HB2  LEU   2           HB1      LEU   2  -0.193   4.641  -3.998
   13    HB3  LEU   2           HB2      LEU   2  -0.330   3.444  -2.700
   14    HG   LEU   2           HG       LEU   2   1.707   4.422  -1.581
   15   HD11  LEU   2          HD11      LEU   2   1.304   6.668  -3.660
   16   HD12  LEU   2          HD12      LEU   2   2.762   5.620  -3.486
   17   HD13  LEU   2          HD13      LEU   2   2.331   6.787  -2.181
   18   HD21  LEU   2          HD21      LEU   2  -0.711   6.285  -2.026
   19   HD22  LEU   2          HD22      LEU   2   0.424   6.332  -0.625
   20   HD23  LEU   2          HD23      LEU   2  -0.640   4.897  -0.875
   21    HA   PRO   3           HA       PRO   3  -0.368  -0.684  -4.130
   22    HB2  PRO   3           HB1      PRO   3  -1.380  -1.296  -1.608
   23    HB3  PRO   3           HB2      PRO   3   0.342  -1.602  -2.039
   24    HG2  PRO   3           HG1      PRO   3  -0.784   0.883  -0.621
   25    HG3  PRO   3           HG2      PRO   3   0.550  -0.205  -0.050
   26    HD2  PRO   3           HD1      PRO   3   1.059   2.120  -1.438
   27    HD3  PRO   3           HD2      PRO   3   2.044   0.627  -1.767
   28    H    ILE   4           HN       ILE   4  -2.886  -1.163  -3.286
   29    HA   ILE   4           HA       ILE   4  -4.395   0.507  -4.719
   30    HB   ILE   4           HB       ILE   4  -6.391  -0.518  -3.695
   31   HG12  ILE   4          HG11      ILE   4  -4.381  -1.933  -1.824
   32   HG13  ILE   4          HG12      ILE   4  -5.527  -0.647  -1.321
   33   HG21  ILE   4          HG21      ILE   4  -5.865  -2.763  -4.543
   34   HG22  ILE   4          HG22      ILE   4  -5.045  -1.538  -5.563
   35   HG23  ILE   4          HG23      ILE   4  -4.098  -2.487  -4.354
   36   HD11  ILE   4           HD1      ILE   4  -7.467  -2.103  -2.048
   37   HD12  ILE   4           HD2      ILE   4  -6.305  -3.425  -2.435
   38   HD13  ILE   4           HD3      ILE   4  -6.473  -2.843  -0.743
   39    H    LEU   5           HN       LEU   5  -3.591   1.225  -1.427
   40    HA   LEU   5           HA       LEU   5  -5.559   2.752  -0.453
   41    HB2  LEU   5           HB1      LEU   5  -2.581   3.432  -0.330
   42    HB3  LEU   5           HB2      LEU   5  -3.835   3.886   0.869
   43    HG   LEU   5           HG       LEU   5  -2.851   1.032   0.237
   44   HD11  LEU   5          HD11      LEU   5  -1.207   2.429   1.489
   45   HD12  LEU   5          HD12      LEU   5  -1.888   1.111   2.515
   46   HD13  LEU   5          HD13      LEU   5  -2.469   2.801   2.725
   47   HD21  LEU   5          HD21      LEU   5  -4.197   0.343   2.249
   48   HD22  LEU   5          HD22      LEU   5  -5.235   0.892   0.892
   49   HD23  LEU   5          HD23      LEU   5  -4.936   1.983   2.306
   50    H    ALA   6           HN       ALA   6  -3.240   4.044  -2.923
   51    HA   ALA   6           HA       ALA   6  -4.231   6.694  -2.843
   52    HB1  ALA   6           HB1      ALA   6  -2.058   6.036  -3.902
   53    HB2  ALA   6           HB2      ALA   6  -2.934   5.053  -5.120
   54    HB3  ALA   6           HB3      ALA   6  -3.113   6.848  -5.112
   55    H    SER   7           HN       SER   7  -5.211   3.872  -4.867
   56    HA   SER   7           HA       SER   7  -7.343   5.204  -6.181
   57    HB2  SER   7           HB1      SER   7  -7.016   2.192  -5.653
   58    HB3  SER   7           HB2      SER   7  -8.040   2.947  -6.923
   59    HG   SER   7           HG1      SER   7  -6.189   3.512  -8.009
   60    H    LEU   8           HN       LEU   8  -7.151   3.356  -3.114
   61    HA   LEU   8           HA       LEU   8  -9.965   3.340  -2.707
   62    HB2  LEU   8           HB1      LEU   8  -7.711   3.166  -0.655
   63    HB3  LEU   8           HB2      LEU   8  -9.447   2.969  -0.268
   64    HG   LEU   8           HG       LEU   8  -7.835   1.154  -2.144
   65   HD11  LEU   8          HD11      LEU   8  -9.004   0.683   0.677
   66   HD12  LEU   8          HD12      LEU   8  -7.263   0.930   0.288
   67   HD13  LEU   8          HD13      LEU   8  -8.127  -0.531  -0.324
   68   HD21  LEU   8          HD21      LEU   8 -10.773   0.973  -1.203
   69   HD22  LEU   8          HD22      LEU   8  -9.874  -0.332  -2.061
   70   HD23  LEU   8          HD23      LEU   8 -10.204   1.221  -2.904
   71    H    ALA   9           HN       ALA   9  -7.484   5.743  -1.835
   72    HA   ALA   9           HA       ALA   9  -9.184   7.555  -0.584
   73    HB1  ALA   9           HB1      ALA   9  -6.683   7.762  -0.645
   74    HB2  ALA   9           HB2      ALA   9  -6.764   8.131  -2.402
   75    HB3  ALA   9           HB3      ALA   9  -7.489   9.271  -1.210
   76    H    ALA  10           HN       ALA  10  -8.604   6.998  -4.092
   77    HA   ALA  10           HA       ALA  10 -10.367   8.987  -4.972
   78    HB1  ALA  10           HB1      ALA  10  -8.691   7.445  -6.345
   79    HB2  ALA  10           HB2      ALA  10 -10.003   6.232  -6.370
   80    HB3  ALA  10           HB3      ALA  10 -10.276   7.830  -7.125
   81    H    LYS  11           HN       LYS  11 -11.002   5.533  -4.352
   82    HA   LYS  11           HA       LYS  11 -13.652   5.704  -5.328
   83    HB2  LYS  11           HB1      LYS  11 -12.208   3.718  -5.499
   84    HB3  LYS  11           HB2      LYS  11 -12.242   3.485  -3.732
   85    HG2  LYS  11           HG1      LYS  11 -14.851   3.571  -5.340
   86    HG3  LYS  11           HG2      LYS  11 -13.838   2.098  -5.406
   87    HD2  LYS  11           HD1      LYS  11 -14.038   1.678  -3.039
   88    HD3  LYS  11           HD2      LYS  11 -14.709   3.301  -2.724
   89    HE2  LYS  11           HE1      LYS  11 -16.757   2.661  -4.166
   90    HE3  LYS  11           HE2      LYS  11 -16.147   0.955  -4.109
   91    HZ1  LYS  11           HZ1      LYS  11 -16.842   2.731  -1.822
   92    HZ2  LYS  11           HZ2      LYS  11 -16.096   1.235  -1.641
   93    HZ3  LYS  11           HZ3      LYS  11 -17.660   1.324  -2.308
   94    H    PHE  12           HN       PHE  12 -12.399   5.579  -1.961
   95    HA   PHE  12           HA       PHE  12 -15.177   5.775  -0.977
   96    HB2  PHE  12           HB1      PHE  12 -12.462   5.178   0.341
   97    HB3  PHE  12           HB2      PHE  12 -13.905   5.618   1.322
   98    HD1  PHE  12           HD1      PHE  12 -15.950   4.260   1.267
   99    HD2  PHE  12           HD2      PHE  12 -12.299   2.942  -0.555
  100    HE1  PHE  12           HE1      PHE  12 -16.744   1.919   1.393
  101    HE2  PHE  12           HE2      PHE  12 -13.091   0.593  -0.446
  102    HZ   PHE  12           HZ       PHE  12 -15.307   0.077   0.545
  103    H    GLY  13           HN       GLY  13 -12.655   7.763  -1.946
  104    HA2  GLY  13           HA1      GLY  13 -14.133   9.998  -0.697
  105    HA3  GLY  13           HA2      GLY  13 -12.365   9.981  -1.046
  106    HA   PRO  14           HA       PRO  14 -14.437  10.558  -5.251
  107    HB2  PRO  14           HB1      PRO  14 -17.139  11.384  -5.244
  108    HB3  PRO  14           HB2      PRO  14 -16.603   9.679  -5.488
  109    HG2  PRO  14           HG1      PRO  14 -17.500  10.975  -2.857
  110    HG3  PRO  14           HG2      PRO  14 -18.044   9.405  -3.577
  111    HD2  PRO  14           HD1      PRO  14 -16.087   9.441  -1.649
  112    HD3  PRO  14           HD2      PRO  14 -15.919   8.343  -3.087
  113    H    LYS  15           HN       LYS  15 -15.624  12.251  -2.363
  114    HA   LYS  15           HA       LYS  15 -14.909  14.815  -3.304
  115    HB2  LYS  15           HB1      LYS  15 -15.150  15.715  -1.185
  116    HB3  LYS  15           HB2      LYS  15 -16.467  14.548  -1.422
  117    HG2  LYS  15           HG1      LYS  15 -13.933  14.093   0.306
  118    HG3  LYS  15           HG2      LYS  15 -15.519  14.689   0.873
  119    HD2  LYS  15           HD1      LYS  15 -16.535  12.509  -0.141
  120    HD3  LYS  15           HD2      LYS  15 -14.865  11.867  -0.126
  121    HE2  LYS  15           HE1      LYS  15 -16.511  12.912   2.300
  122    HE3  LYS  15           HE2      LYS  15 -16.198  11.179   1.902
  123    HZ1  LYS  15           HZ1      LYS  15 -13.854  11.551   2.286
  124    HZ2  LYS  15           HZ2      LYS  15 -14.751  12.028   3.635
  125    HZ3  LYS  15           HZ3      LYS  15 -14.116  13.199   2.595
  126    H    LEU  16           HN       LEU  16 -12.829  12.267  -1.858
  127    HA   LEU  16           HA       LEU  16 -10.601  14.070  -1.586
  128    HB2  LEU  16           HB1      LEU  16 -10.747  11.030  -1.508
  129    HB3  LEU  16           HB2      LEU  16  -9.206  11.899  -1.615
  130    HG   LEU  16           HG       LEU  16  -9.625  13.130   0.467
  131   HD11  LEU  16          HD11      LEU  16 -11.308  12.289   2.095
  132   HD12  LEU  16          HD12      LEU  16 -12.035  11.239   0.814
  133   HD13  LEU  16          HD13      LEU  16 -12.094  13.056   0.660
  134   HD21  LEU  16          HD21      LEU  16  -9.132  11.175   1.946
  135   HD22  LEU  16          HD22      LEU  16  -8.257  11.061   0.380
  136   HD23  LEU  16          HD23      LEU  16  -9.721  10.052   0.661
  137    H    PHE  17           HN       PHE  17 -11.559  11.667  -4.178
  138    HA   PHE  17           HA       PHE  17  -9.300  12.467  -5.691
  139    HB2  PHE  17           HB1      PHE  17 -11.296  10.440  -6.006
  140    HB3  PHE  17           HB2      PHE  17 -11.468  11.466  -7.459
  141    HD1  PHE  17           HD1      PHE  17 -10.386  10.352  -9.211
  142    HD2  PHE  17           HD2      PHE  17  -8.421  10.452  -5.386
  143    HE1  PHE  17           HE1      PHE  17  -8.445   9.134 -10.160
  144    HE2  PHE  17           HE2      PHE  17  -6.518   9.211  -6.327
  145    HZ   PHE  17           HZ       PHE  17  -6.511   8.561  -8.718
  146    H    ABA  18           HN       AGL  18 -12.594  13.844  -5.664
  147    HA   ABA  18           HA       AGL  18 -11.998  15.652  -7.758
  148    HB3  ABA  18           HB2      AGL  18 -13.848  17.098  -6.566
  149    HB2  ABA  18           HB1      AGL  18 -14.038  15.695  -5.486
  150    HG3  ABA  18           HG       AGL  18 -14.956  14.331  -7.294
  151    H    LEU  19           HN       LEU  19 -11.159  15.818  -4.284
  152    HA   LEU  19           HA       LEU  19 -10.153  18.524  -4.738
  153    HB2  LEU  19           HB1      LEU  19 -11.419  18.058  -2.677
  154    HB3  LEU  19           HB2      LEU  19 -10.254  16.784  -2.222
  155    HG   LEU  19           HG       LEU  19  -8.437  18.503  -2.023
  156   HD11  LEU  19          HD11      LEU  19  -9.016  20.944  -2.025
  157   HD12  LEU  19          HD12      LEU  19 -10.655  20.552  -2.668
  158   HD13  LEU  19          HD13      LEU  19  -9.179  20.214  -3.657
  159   HD21  LEU  19          HD21      LEU  19  -9.275  19.606   0.029
  160   HD22  LEU  19          HD22      LEU  19  -9.798  17.882  -0.037
  161   HD23  LEU  19          HD23      LEU  19 -10.973  19.201  -0.423
  162    H    VAL  20           HN       VAL  20  -8.667  15.515  -3.360
  163    HA   VAL  20           HA       VAL  20  -6.095  16.651  -3.198
  164    HB   VAL  20           HB       VAL  20  -6.981  13.722  -3.095
  165   HG11  VAL  20          HG11      VAL  20  -4.525  13.876  -3.481
  166   HG12  VAL  20          HG12      VAL  20  -4.370  15.125  -2.191
  167   HG13  VAL  20          HG13      VAL  20  -4.829  13.432  -1.771
  168   HG21  VAL  20          HG21      VAL  20  -6.573  15.845  -0.880
  169   HG22  VAL  20          HG22      VAL  20  -8.152  15.118  -1.371
  170   HG23  VAL  20          HG23      VAL  20  -6.889  14.095  -0.597
  171    H    THR  21           HN       THR  21  -7.503  14.255  -5.458
  172    HA   THR  21           HA       THR  21  -5.069  14.481  -7.105
  173    HB   THR  21           HB       THR  21  -7.354  12.564  -7.620
  174    HG1  THR  21           HG1      THR  21  -6.073  11.143  -6.404
  175   HG21  THR  21          HG21      THR  21  -5.545  12.741  -9.406
  176   HG22  THR  21          HG22      THR  21  -5.411  11.181  -8.533
  177   HG23  THR  21          HG23      THR  21  -4.285  12.529  -8.137
  178    H    LYS  22           HN       LYS  22  -7.750  16.169  -6.806
  179    HA   LYS  22           HA       LYS  22  -9.137  17.358  -8.012
  180    HB2  LYS  22           HB1      LYS  22  -6.544  18.130  -8.222
  181    HB3  LYS  22           HB2      LYS  22  -6.983  18.190  -9.933
  182    HG2  LYS  22           HG1      LYS  22  -8.339  19.576  -7.524
  183    HG3  LYS  22           HG2      LYS  22  -7.250  20.373  -8.685
  184    HD2  LYS  22           HD1      LYS  22 -10.071  19.270  -9.359
  185    HD3  LYS  22           HD2      LYS  22  -9.673  20.937  -8.901
  186    HE2  LYS  22           HE1      LYS  22  -9.489  21.435 -11.085
  187    HE3  LYS  22           HE2      LYS  22  -7.888  20.602 -11.025
  188    HZ1  LYS  22           HZ1      LYS  22  -9.059  18.551 -11.612
  189    HZ2  LYS  22           HZ2      LYS  22  -9.260  19.737 -12.815
  190    HZ3  LYS  22           HZ3      LYS  22 -10.509  19.354 -11.725
  191    H    LYS  23           HN       LYS  23  -9.835  14.895  -8.974
  192    HA   LYS  23           HA       LYS  23  -9.795  15.048 -11.898
  193    HB2  LYS  23           HB1      LYS  23 -10.654  12.987  -9.859
  194    HB3  LYS  23           HB2      LYS  23 -11.158  12.802 -11.562
  195    HG2  LYS  23           HG1      LYS  23  -8.226  13.403 -11.218
  196    HG3  LYS  23           HG2      LYS  23  -8.762  11.894 -10.451
  197    HD2  LYS  23           HD1      LYS  23  -8.001  11.366 -12.672
  198    HD3  LYS  23           HD2      LYS  23  -9.771  11.088 -12.577
  199    HE2  LYS  23           HE1      LYS  23 -10.174  13.264 -13.814
  200    HE3  LYS  23           HE2      LYS  23  -8.389  13.546 -13.878
  201    HZ1  LYS  23           HZ1      LYS  23  -9.229  12.579 -15.917
  202    HZ2  LYS  23           HZ2      LYS  23  -9.848  11.240 -15.091
  203    HZ3  LYS  23           HZ3      LYS  23  -8.175  11.499 -15.153
  204    H    ABA  24           HN       AGL  24 -11.769  16.479  -9.626
  205    HA   ABA  24           HA       AGL  24 -14.134  16.377 -11.387
  206    HB3  ABA  24           HB2      AGL  24 -15.244  17.757  -9.589
  207    HB2  ABA  24           HB1      AGL  24 -13.726  17.707  -8.649
  208    HG3  ABA  24           HG       AGL  24 -15.432  15.202  -9.469
  Start of MODEL   17
    1    H1   PHE   1           HN       PHE   1   3.324   2.247   1.169
    2    HA   PHE   1           HA       PHE   1   4.467   0.564  -0.254
    3    HB2  PHE   1           HB1      PHE   1   3.484  -0.068   1.974
    4    HB3  PHE   1           HB2      PHE   1   1.890  -0.343   1.208
    5    HD1  PHE   1           HD1      PHE   1   1.586  -2.601   1.744
    6    HD2  PHE   1           HD2      PHE   1   5.325  -1.452  -0.054
    7    HE1  PHE   1           HE1      PHE   1   2.227  -4.981   1.539
    8    HE2  PHE   1           HE2      PHE   1   5.952  -3.822  -0.256
    9    HZ   PHE   1           HZ       PHE   1   4.420  -5.594   0.550
   10    H    LEU   2           HN       LEU   2   1.289  -0.811  -0.608
   11    HA   LEU   2           HA       LEU   2   1.330  -1.380  -3.245
   12    HB2  LEU   2           HB1      LEU   2  -1.169  -0.539  -1.686
   13    HB3  LEU   2           HB2      LEU   2  -1.106  -1.631  -3.115
   14    HG   LEU   2           HG       LEU   2   0.070  -2.242  -0.340
   15   HD11  LEU   2          HD11      LEU   2  -2.423  -2.168  -0.346
   16   HD12  LEU   2          HD12      LEU   2  -1.806  -3.847  -0.134
   17   HD13  LEU   2          HD13      LEU   2  -2.458  -3.324  -1.731
   18   HD21  LEU   2          HD21      LEU   2   1.322  -3.404  -2.172
   19   HD22  LEU   2          HD22      LEU   2  -0.232  -4.049  -2.829
   20   HD23  LEU   2          HD23      LEU   2   0.346  -4.558  -1.199
   21    HA   PRO   3           HA       PRO   3   0.797   2.534  -5.242
   22    HB2  PRO   3           HB1      PRO   3  -0.081   1.813  -7.815
   23    HB3  PRO   3           HB2      PRO   3   1.588   1.467  -7.223
   24    HG2  PRO   3           HG1      PRO   3  -0.824  -0.436  -7.191
   25    HG3  PRO   3           HG2      PRO   3   0.837  -0.760  -7.836
   26    HD2  PRO   3           HD1      PRO   3   0.127  -1.551  -5.294
   27    HD3  PRO   3           HD2      PRO   3   1.775  -0.833  -5.596
   28    H    ILE   4           HN       ILE   4  -1.858   0.284  -5.129
   29    HA   ILE   4           HA       ILE   4  -3.980   1.870  -5.841
   30    HB   ILE   4           HB       ILE   4  -5.469   0.420  -4.658
   31   HG12  ILE   4          HG11      ILE   4  -3.012  -1.006  -3.496
   32   HG13  ILE   4          HG12      ILE   4  -4.046   0.122  -2.555
   33   HG21  ILE   4          HG21      ILE   4  -4.919  -1.624  -5.905
   34   HG22  ILE   4          HG22      ILE   4  -4.467  -0.191  -6.885
   35   HG23  ILE   4          HG23      ILE   4  -3.190  -1.148  -6.039
   36   HD11  ILE   4           HD1      ILE   4  -4.985  -2.527  -3.844
   37   HD12  ILE   4           HD2      ILE   4  -4.737  -2.198  -2.093
   38   HD13  ILE   4           HD3      ILE   4  -6.048  -1.352  -2.986
   39    H    LEU   5           HN       LEU   5  -2.079   2.466  -3.004
   40    HA   LEU   5           HA       LEU   5  -4.121   3.419  -1.338
   41    HB2  LEU   5           HB1      LEU   5  -1.194   4.286  -1.545
   42    HB3  LEU   5           HB2      LEU   5  -2.286   4.639  -0.164
   43    HG   LEU   5           HG       LEU   5  -1.416   1.833  -1.100
   44   HD11  LEU   5          HD11      LEU   5   0.453   3.125  -0.131
   45   HD12  LEU   5          HD12      LEU   5  -0.051   1.796   0.973
   46   HD13  LEU   5          HD13      LEU   5  -0.535   3.497   1.335
   47   HD21  LEU   5          HD21      LEU   5  -3.068   2.700   1.358
   48   HD22  LEU   5          HD22      LEU   5  -2.387   1.055   1.090
   49   HD23  LEU   5          HD23      LEU   5  -3.645   1.690  -0.026
   50    H    ALA   6           HN       ALA   6  -2.355   5.105  -3.949
   51    HA   ALA   6           HA       ALA   6  -3.608   7.623  -3.621
   52    HB1  ALA   6           HB1      ALA   6  -2.520   6.159  -6.118
   53    HB2  ALA   6           HB2      ALA   6  -2.880   7.926  -6.032
   54    HB3  ALA   6           HB3      ALA   6  -1.563   7.218  -5.028
   55    H    SER   7           HN       SER   7  -4.529   4.709  -5.531
   56    HA   SER   7           HA       SER   7  -6.867   5.748  -6.655
   57    HB2  SER   7           HB1      SER   7  -6.407   2.806  -5.898
   58    HB3  SER   7           HB2      SER   7  -7.482   3.436  -7.189
   59    HG   SER   7           HG1      SER   7  -5.688   3.911  -8.390
   60    H    LEU   8           HN       LEU   8  -6.384   3.992  -3.562
   61    HA   LEU   8           HA       LEU   8  -9.099   3.921  -2.833
   62    HB2  LEU   8           HB1      LEU   8  -6.542   3.852  -1.160
   63    HB3  LEU   8           HB2      LEU   8  -8.172   3.656  -0.447
   64    HG   LEU   8           HG       LEU   8  -6.983   1.802  -2.587
   65   HD11  LEU   8          HD11      LEU   8  -5.759   1.676  -0.411
   66   HD12  LEU   8          HD12      LEU   8  -6.714   0.176  -0.717
   67   HD13  LEU   8          HD13      LEU   8  -7.315   1.406   0.456
   68   HD21  LEU   8          HD21      LEU   8  -9.530   1.544  -0.859
   69   HD22  LEU   8          HD22      LEU   8  -8.860   0.269  -1.936
   70   HD23  LEU   8          HD23      LEU   8  -9.485   1.797  -2.652
   71    H    ALA   9           HN       ALA   9  -6.577   6.404  -2.160
   72    HA   ALA   9           HA       ALA   9  -8.213   8.106  -0.683
   73    HB1  ALA   9           HB1      ALA   9  -5.733   8.376  -0.957
   74    HB2  ALA   9           HB2      ALA   9  -5.970   8.797  -2.686
   75    HB3  ALA   9           HB3      ALA   9  -6.603   9.891  -1.396
   76    H    ALA  10           HN       ALA  10  -7.779   7.923  -4.253
   77    HA   ALA  10           HA       ALA  10  -9.732   9.831  -4.872
   78    HB1  ALA  10           HB1      ALA  10  -9.673   8.685  -7.148
   79    HB2  ALA  10           HB2      ALA  10  -8.018   8.970  -6.480
   80    HB3  ALA  10           HB3      ALA  10  -8.752   7.334  -6.404
   81    H    LYS  11           HN       LYS  11 -10.177   6.233  -4.573
   82    HA   LYS  11           HA       LYS  11 -12.922   6.577  -5.429
   83    HB2  LYS  11           HB1      LYS  11 -11.547   4.762  -6.268
   84    HB3  LYS  11           HB2      LYS  11 -11.294   4.109  -4.635
   85    HG2  LYS  11           HG1      LYS  11 -14.193   4.410  -5.490
   86    HG3  LYS  11           HG2      LYS  11 -13.235   3.289  -6.477
   87    HD2  LYS  11           HD1      LYS  11 -13.085   1.692  -4.917
   88    HD3  LYS  11           HD2      LYS  11 -12.735   2.813  -3.583
   89    HE2  LYS  11           HE1      LYS  11 -15.598   2.500  -4.719
   90    HE3  LYS  11           HE2      LYS  11 -14.939   1.382  -3.458
   91    HZ1  LYS  11           HZ1      LYS  11 -14.932   4.332  -3.153
   92    HZ2  LYS  11           HZ2      LYS  11 -14.611   3.165  -1.986
   93    HZ3  LYS  11           HZ3      LYS  11 -16.187   3.343  -2.589
   94    H    PHE  12           HN       PHE  12 -11.407   6.089  -2.217
   95    HA   PHE  12           HA       PHE  12 -14.144   5.818  -1.101
   96    HB2  PHE  12           HB1      PHE  12 -11.358   5.169  -0.003
   97    HB3  PHE  12           HB2      PHE  12 -12.733   5.494   1.111
   98    HD1  PHE  12           HD1      PHE  12 -14.776   4.166   1.056
   99    HD2  PHE  12           HD2      PHE  12 -11.330   3.083  -1.252
  100    HE1  PHE  12           HE1      PHE  12 -15.681   1.874   0.800
  101    HE2  PHE  12           HE2      PHE  12 -12.225   0.775  -1.505
  102    HZ   PHE  12           HZ       PHE  12 -14.406   0.176  -0.482
  103    H    GLY  13           HN       GLY  13 -11.662   8.141  -1.670
  104    HA2  GLY  13           HA1      GLY  13 -13.431  10.045  -0.253
  105    HA3  GLY  13           HA2      GLY  13 -11.766  10.319  -0.868
  106    HA   PRO  14           HA       PRO  14 -14.421  10.570  -4.765
  107    HB2  PRO  14           HB1      PRO  14 -17.175  11.057  -4.477
  108    HB3  PRO  14           HB2      PRO  14 -16.480   9.407  -4.691
  109    HG2  PRO  14           HG1      PRO  14 -17.218  10.776  -2.049
  110    HG3  PRO  14           HG2      PRO  14 -17.664   9.113  -2.607
  111    HD2  PRO  14           HD1      PRO  14 -15.512   9.518  -0.930
  112    HD3  PRO  14           HD2      PRO  14 -15.410   8.302  -2.274
  113    H    LYS  15           HN       LYS  15 -15.294  12.157  -1.751
  114    HA   LYS  15           HA       LYS  15 -15.235  14.842  -2.658
  115    HB2  LYS  15           HB1      LYS  15 -14.311  13.589   0.011
  116    HB3  LYS  15           HB2      LYS  15 -14.440  15.354  -0.289
  117    HG2  LYS  15           HG1      LYS  15 -16.883  15.156  -0.621
  118    HG3  LYS  15           HG2      LYS  15 -16.802  13.390  -0.320
  119    HD2  LYS  15           HD1      LYS  15 -15.892  13.789   1.975
  120    HD3  LYS  15           HD2      LYS  15 -15.853  15.554   1.673
  121    HE2  LYS  15           HE1      LYS  15 -18.355  15.607   1.513
  122    HE3  LYS  15           HE2      LYS  15 -18.412  13.817   1.795
  123    HZ1  LYS  15           HZ1      LYS  15 -17.301  15.843   3.691
  124    HZ2  LYS  15           HZ2      LYS  15 -17.391  14.176   3.958
  125    HZ3  LYS  15           HZ3      LYS  15 -18.806  15.088   3.818
  126    H    LEU  16           HN       LEU  16 -12.552  12.627  -1.554
  127    HA   LEU  16           HA       LEU  16 -10.537  14.569  -1.893
  128    HB2  LEU  16           HB1      LEU  16 -10.318  11.530  -1.831
  129    HB3  LEU  16           HB2      LEU  16  -8.932  12.651  -1.794
  130    HG   LEU  16           HG       LEU  16 -11.106  12.522   0.369
  131   HD11  LEU  16          HD11      LEU  16  -8.206  11.463   0.346
  132   HD12  LEU  16          HD12      LEU  16  -9.691  10.450   0.269
  133   HD13  LEU  16          HD13      LEU  16  -9.336  11.425   1.746
  134   HD21  LEU  16          HD21      LEU  16  -9.465  13.905   1.697
  135   HD22  LEU  16          HD22      LEU  16 -10.058  14.795   0.249
  136   HD23  LEU  16          HD23      LEU  16  -8.417  14.043   0.246
  137    H    PHE  17           HN       PHE  17 -11.682  11.980  -4.175
  138    HA   PHE  17           HA       PHE  17  -9.698  12.549  -6.028
  139    HB2  PHE  17           HB1      PHE  17 -11.362  10.575  -6.081
  140    HB3  PHE  17           HB2      PHE  17 -12.552  11.680  -6.829
  141    HD1  PHE  17           HD1      PHE  17  -8.773  11.366  -7.464
  142    HD2  PHE  17           HD2      PHE  17 -12.756  10.688  -8.958
  143    HE1  PHE  17           HE1      PHE  17  -7.844  10.650  -9.619
  144    HE2  PHE  17           HE2      PHE  17 -11.803   9.961 -11.123
  145    HZ   PHE  17           HZ       PHE  17  -9.349   9.933 -11.453
  146    H    ABA  18           HN       AGL  18 -12.849  14.205  -5.625
  147    HA   ABA  18           HA       AGL  18 -12.379  15.963  -7.853
  148    HB3  ABA  18           HB2      AGL  18 -14.135  17.391  -6.566
  149    HB2  ABA  18           HB1      AGL  18 -14.223  16.035  -5.406
  150    HG3  ABA  18           HG       AGL  18 -14.774  14.436  -7.392
  151    H    LEU  19           HN       LEU  19 -11.856  16.376  -4.271
  152    HA   LEU  19           HA       LEU  19 -10.821  18.951  -4.685
  153    HB2  LEU  19           HB1      LEU  19 -11.055  17.066  -2.363
  154    HB3  LEU  19           HB2      LEU  19  -9.821  18.350  -2.205
  155    HG   LEU  19           HG       LEU  19 -11.891  19.050  -1.189
  156   HD11  LEU  19          HD11      LEU  19 -12.015  21.286  -2.125
  157   HD12  LEU  19          HD12      LEU  19 -11.428  20.732  -3.735
  158   HD13  LEU  19          HD13      LEU  19 -10.324  20.709  -2.310
  159   HD21  LEU  19          HD21      LEU  19 -13.234  18.929  -3.965
  160   HD22  LEU  19          HD22      LEU  19 -13.958  19.557  -2.443
  161   HD23  LEU  19          HD23      LEU  19 -13.557  17.807  -2.588
  162    H    VAL  20           HN       VAL  20  -8.959  15.910  -4.231
  163    HA   VAL  20           HA       VAL  20  -6.469  17.133  -3.946
  164    HB   VAL  20           HB       VAL  20  -7.256  14.347  -4.887
  165   HG11  VAL  20          HG11      VAL  20  -4.444  15.474  -4.235
  166   HG12  VAL  20          HG12      VAL  20  -4.843  13.723  -4.348
  167   HG13  VAL  20          HG13      VAL  20  -4.977  14.764  -5.804
  168   HG21  VAL  20          HG21      VAL  20  -6.513  13.738  -2.564
  169   HG22  VAL  20          HG22      VAL  20  -6.114  15.459  -2.226
  170   HG23  VAL  20          HG23      VAL  20  -7.829  14.966  -2.492
  171    H    THR  21           HN       THR  21  -8.208  16.149  -6.923
  172    HA   THR  21           HA       THR  21  -5.914  17.283  -8.413
  173    HB   THR  21           HB       THR  21  -6.210  16.114 -10.276
  174    HG1  THR  21           HG1      THR  21  -8.351  16.413 -10.522
  175   HG21  THR  21          HG21      THR  21  -6.311  13.736  -9.635
  176   HG22  THR  21          HG22      THR  21  -7.153  14.137  -8.090
  177   HG23  THR  21          HG23      THR  21  -5.448  14.664  -8.360
  178    H    LYS  22           HN       LYS  22  -8.104  18.925  -7.137
  179    HA   LYS  22           HA       LYS  22  -9.511  20.551  -7.571
  180    HB2  LYS  22           HB1      LYS  22  -8.742  22.397  -8.957
  181    HB3  LYS  22           HB2      LYS  22  -7.439  21.740  -7.934
  182    HG2  LYS  22           HG1      LYS  22  -6.183  20.949  -9.692
  183    HG3  LYS  22           HG2      LYS  22  -7.572  20.601 -10.738
  184    HD2  LYS  22           HD1      LYS  22  -6.469  23.422 -10.153
  185    HD3  LYS  22           HD2      LYS  22  -6.099  22.441 -11.596
  186    HE2  LYS  22           HE1      LYS  22  -8.838  23.665 -10.846
  187    HE3  LYS  22           HE2      LYS  22  -7.768  24.096 -12.236
  188    HZ1  LYS  22           HZ1      LYS  22  -9.254  21.582 -11.767
  189    HZ2  LYS  22           HZ2      LYS  22  -8.098  21.736 -12.994
  190    HZ3  LYS  22           HZ3      LYS  22  -9.509  22.693 -13.011
  191    H    LYS  23           HN       LYS  23 -11.027  18.659  -8.454
  192    HA   LYS  23           HA       LYS  23 -12.266  19.734 -10.861
  193    HB2  LYS  23           HB1      LYS  23 -12.478  17.646 -12.032
  194    HB3  LYS  23           HB2      LYS  23 -10.761  17.952 -11.685
  195    HG2  LYS  23           HG1      LYS  23 -10.814  16.331  -9.789
  196    HG3  LYS  23           HG2      LYS  23 -12.552  16.004 -10.106
  197    HD2  LYS  23           HD1      LYS  23 -11.989  15.302 -12.461
  198    HD3  LYS  23           HD2      LYS  23 -10.255  15.531 -12.120
  199    HE2  LYS  23           HE1      LYS  23 -12.130  13.479 -10.733
  200    HE3  LYS  23           HE2      LYS  23 -10.922  13.127 -12.029
  201    HZ1  LYS  23           HZ1      LYS  23  -9.260  14.178 -10.400
  202    HZ2  LYS  23           HZ2      LYS  23  -9.858  12.627 -10.032
  203    HZ3  LYS  23           HZ3      LYS  23 -10.411  14.002  -9.236
  204    H    ABA  24           HN       AGL  24 -14.252  17.750 -11.135
  205    HA   ABA  24           HA       AGL  24 -16.345  17.473 -10.569
  206    HB3  ABA  24           HB2      AGL  24 -17.285  17.583  -8.263
  207    HB2  ABA  24           HB1      AGL  24 -15.719  18.138  -7.645
  208    HG3  ABA  24           HG       AGL  24 -16.368  15.341  -8.904
  Start of MODEL   18
    1    H1   PHE   1           HN       PHE   1   4.192   2.894  -6.118
    2    HA   PHE   1           HA       PHE   1   6.299   2.863  -4.104
    3    HB2  PHE   1           HB1      PHE   1   6.060   5.304  -3.695
    4    HB3  PHE   1           HB2      PHE   1   6.536   4.966  -5.394
    5    HD1  PHE   1           HD1      PHE   1   4.700   5.040  -7.220
    6    HD2  PHE   1           HD2      PHE   1   4.109   6.565  -3.243
    7    HE1  PHE   1           HE1      PHE   1   2.749   6.345  -8.005
    8    HE2  PHE   1           HE2      PHE   1   2.163   7.872  -4.037
    9    HZ   PHE   1           HZ       PHE   1   1.470   7.745  -6.413
   10    H    LEU   2           HN       LEU   2   2.939   4.086  -4.463
   11    HA   LEU   2           HA       LEU   2   2.183   2.402  -2.185
   12    HB2  LEU   2           HB1      LEU   2   2.122   4.923  -1.678
   13    HB3  LEU   2           HB2      LEU   2   1.013   5.122  -3.061
   14    HG   LEU   2           HG       LEU   2  -0.626   3.555  -1.861
   15   HD11  LEU   2          HD11      LEU   2   0.949   2.384  -0.298
   16   HD12  LEU   2          HD12      LEU   2  -0.279   3.310   0.649
   17   HD13  LEU   2          HD13      LEU   2   1.383   3.959   0.458
   18   HD21  LEU   2          HD21      LEU   2  -1.416   5.297  -0.274
   19   HD22  LEU   2          HD22      LEU   2  -0.845   6.056  -1.808
   20   HD23  LEU   2          HD23      LEU   2   0.192   6.107  -0.336
   21    HA   PRO   3           HA       PRO   3  -0.223   1.453  -5.904
   22    HB2  PRO   3           HB1      PRO   3  -1.002  -1.075  -5.341
   23    HB3  PRO   3           HB2      PRO   3   0.730  -0.636  -5.212
   24    HG2  PRO   3           HG1      PRO   3  -1.258  -0.771  -2.865
   25    HG3  PRO   3           HG2      PRO   3   0.351  -1.587  -3.023
   26    HD2  PRO   3           HD1      PRO   3  -0.015   0.925  -1.799
   27    HD3  PRO   3           HD2      PRO   3   1.515   0.415  -2.643
   28    H    ILE   4           HN       ILE   4  -2.586  -0.449  -4.724
   29    HA   ILE   4           HA       ILE   4  -4.674   1.093  -5.421
   30    HB   ILE   4           HB       ILE   4  -6.144  -0.487  -4.265
   31   HG12  ILE   4          HG11      ILE   4  -3.569  -1.793  -3.176
   32   HG13  ILE   4          HG12      ILE   4  -4.715  -0.825  -2.191
   33   HG21  ILE   4          HG21      ILE   4  -5.487  -2.413  -5.636
   34   HG22  ILE   4          HG22      ILE   4  -5.125  -0.903  -6.533
   35   HG23  ILE   4          HG23      ILE   4  -3.789  -1.833  -5.751
   36   HD11  ILE   4           HD1      ILE   4  -5.205  -3.213  -1.877
   37   HD12  ILE   4           HD2      ILE   4  -6.571  -2.435  -2.750
   38   HD13  ILE   4           HD3      ILE   4  -5.396  -3.462  -3.649
   39    H    LEU   5           HN       LEU   5  -3.141   1.363  -2.256
   40    HA   LEU   5           HA       LEU   5  -5.369   2.367  -0.893
   41    HB2  LEU   5           HB1      LEU   5  -2.417   2.988  -0.403
   42    HB3  LEU   5           HB2      LEU   5  -3.759   3.204   0.765
   43    HG   LEU   5           HG       LEU   5  -2.779   0.516  -0.390
   44   HD11  LEU   5          HD11      LEU   5  -2.046   0.070   1.962
   45   HD12  LEU   5          HD12      LEU   5  -2.518   1.743   2.423
   46   HD13  LEU   5          HD13      LEU   5  -1.180   1.475   1.242
   47   HD21  LEU   5          HD21      LEU   5  -5.202   0.331   0.061
   48   HD22  LEU   5          HD22      LEU   5  -4.990   1.105   1.682
   49   HD23  LEU   5          HD23      LEU   5  -4.287  -0.517   1.354
   50    H    ALA   6           HN       ALA   6  -3.052   4.154  -2.975
   51    HA   ALA   6           HA       ALA   6  -4.121   6.736  -2.456
   52    HB1  ALA   6           HB1      ALA   6  -2.778   5.497  -4.956
   53    HB2  ALA   6           HB2      ALA   6  -3.020   7.265  -4.689
   54    HB3  ALA   6           HB3      ALA   6  -1.916   6.329  -3.621
   55    H    SER   7           HN       SER   7  -4.875   4.221  -4.902
   56    HA   SER   7           HA       SER   7  -6.919   5.571  -6.232
   57    HB2  SER   7           HB1      SER   7  -6.742   2.525  -5.826
   58    HB3  SER   7           HB2      SER   7  -7.533   3.385  -7.186
   59    HG   SER   7           HG1      SER   7  -5.499   3.944  -7.933
   60    H    LEU   8           HN       LEU   8  -7.093   3.372  -3.398
   61    HA   LEU   8           HA       LEU   8  -9.894   3.343  -3.209
   62    HB2  LEU   8           HB1      LEU   8  -7.682   2.859  -1.156
   63    HB3  LEU   8           HB2      LEU   8  -9.412   2.715  -0.727
   64    HG   LEU   8           HG       LEU   8  -8.036   1.045  -2.898
   65   HD11  LEU   8          HD11      LEU   8  -7.196   0.556  -0.585
   66   HD12  LEU   8          HD12      LEU   8  -8.181  -0.812  -1.235
   67   HD13  LEU   8          HD13      LEU   8  -8.889   0.317  -0.020
   68   HD21  LEU   8          HD21      LEU   8 -10.499   1.289  -3.321
   69   HD22  LEU   8          HD22      LEU   8 -10.832   0.814  -1.605
   70   HD23  LEU   8          HD23      LEU   8 -10.103  -0.371  -2.746
   71    H    ALA   9           HN       ALA   9  -7.509   5.561  -1.672
   72    HA   ALA   9           HA       ALA   9  -9.364   7.005  -0.173
   73    HB1  ALA   9           HB1      ALA   9  -7.616   8.823  -0.256
   74    HB2  ALA   9           HB2      ALA   9  -6.874   7.210   0.041
   75    HB3  ALA   9           HB3      ALA   9  -6.788   7.939  -1.598
   76    H    ALA  10           HN       ALA  10  -8.251   7.502  -3.529
   77    HA   ALA  10           HA       ALA  10 -10.017   9.557  -4.213
   78    HB1  ALA  10           HB1      ALA  10  -9.419   8.639  -6.574
   79    HB2  ALA  10           HB2      ALA  10  -7.999   8.962  -5.504
   80    HB3  ALA  10           HB3      ALA  10  -8.591   7.284  -5.744
   81    H    LYS  11           HN       LYS  11 -10.493   5.971  -4.710
   82    HA   LYS  11           HA       LYS  11 -12.988   6.391  -5.970
   83    HB2  LYS  11           HB1      LYS  11 -11.587   4.442  -6.400
   84    HB3  LYS  11           HB2      LYS  11 -11.764   3.866  -4.723
   85    HG2  LYS  11           HG1      LYS  11 -14.241   4.291  -6.476
   86    HG3  LYS  11           HG2      LYS  11 -13.226   2.847  -6.757
   87    HD2  LYS  11           HD1      LYS  11 -13.831   1.796  -4.775
   88    HD3  LYS  11           HD2      LYS  11 -13.944   3.337  -3.889
   89    HE2  LYS  11           HE1      LYS  11 -16.135   3.818  -5.250
   90    HE3  LYS  11           HE2      LYS  11 -16.100   2.058  -5.677
   91    HZ1  LYS  11           HZ1      LYS  11 -17.387   2.372  -3.704
   92    HZ2  LYS  11           HZ2      LYS  11 -16.174   3.300  -2.970
   93    HZ3  LYS  11           HZ3      LYS  11 -15.924   1.658  -3.212
   94    H    PHE  12           HN       PHE  12 -12.284   5.534  -2.526
   95    HA   PHE  12           HA       PHE  12 -15.164   5.276  -2.062
   96    HB2  PHE  12           HB1      PHE  12 -12.645   4.659  -0.449
   97    HB3  PHE  12           HB2      PHE  12 -14.163   4.996   0.446
   98    HD1  PHE  12           HD1      PHE  12 -16.142   3.644   0.207
   99    HD2  PHE  12           HD2      PHE  12 -12.474   2.582  -1.741
  100    HE1  PHE  12           HE1      PHE  12 -16.975   1.329  -0.075
  101    HE2  PHE  12           HE2      PHE  12 -13.307   0.259  -2.045
  102    HZ   PHE  12           HZ       PHE  12 -15.557  -0.367  -1.204
  103    H    GLY  13           HN       GLY  13 -12.675   7.698  -1.657
  104    HA2  GLY  13           HA1      GLY  13 -14.728   9.429  -0.412
  105    HA3  GLY  13           HA2      GLY  13 -12.961   9.698  -0.556
  106    HA   PRO  14           HA       PRO  14 -14.590  11.032  -4.756
  107    HB2  PRO  14           HB1      PRO  14 -17.258  11.936  -4.860
  108    HB3  PRO  14           HB2      PRO  14 -16.744  10.275  -5.346
  109    HG2  PRO  14           HG1      PRO  14 -17.866  11.142  -2.625
  110    HG3  PRO  14           HG2      PRO  14 -18.380   9.743  -3.654
  111    HD2  PRO  14           HD1      PRO  14 -16.618   9.395  -1.563
  112    HD3  PRO  14           HD2      PRO  14 -16.361   8.507  -3.126
  113    H    LYS  15           HN       LYS  15 -15.833  12.074  -1.670
  114    HA   LYS  15           HA       LYS  15 -15.259  14.845  -1.818
  115    HB2  LYS  15           HB1      LYS  15 -15.177  12.766   0.450
  116    HB3  LYS  15           HB2      LYS  15 -14.842  14.487   0.765
  117    HG2  LYS  15           HG1      LYS  15 -17.475  13.482  -0.470
  118    HG3  LYS  15           HG2      LYS  15 -17.225  13.610   1.287
  119    HD2  LYS  15           HD1      LYS  15 -17.030  15.933  -0.743
  120    HD3  LYS  15           HD2      LYS  15 -18.450  15.579   0.270
  121    HE2  LYS  15           HE1      LYS  15 -15.661  16.477   1.297
  122    HE3  LYS  15           HE2      LYS  15 -17.148  17.490   1.182
  123    HZ1  LYS  15           HZ1      LYS  15 -16.818  15.062   2.879
  124    HZ2  LYS  15           HZ2      LYS  15 -18.219  16.007   2.768
  125    HZ3  LYS  15           HZ3      LYS  15 -16.800  16.667   3.411
  126    H    LEU  16           HN       LEU  16 -13.150  12.023  -0.928
  127    HA   LEU  16           HA       LEU  16 -10.885  13.691  -0.450
  128    HB2  LEU  16           HB1      LEU  16 -11.072  10.686  -0.947
  129    HB3  LEU  16           HB2      LEU  16  -9.581  11.549  -0.470
  130    HG   LEU  16           HG       LEU  16 -12.128  11.405   1.243
  131   HD11  LEU  16          HD11      LEU  16  -9.435   9.919   1.484
  132   HD12  LEU  16          HD12      LEU  16 -10.994   9.183   0.963
  133   HD13  LEU  16          HD13      LEU  16 -10.808   9.817   2.644
  134   HD21  LEU  16          HD21      LEU  16 -10.797  13.470   1.739
  135   HD22  LEU  16          HD22      LEU  16  -9.295  12.479   1.858
  136   HD23  LEU  16          HD23      LEU  16 -10.610  12.266   3.065
  137    H    PHE  17           HN       PHE  17 -11.945  11.734  -3.284
  138    HA   PHE  17           HA       PHE  17  -9.644  11.926  -4.706
  139    HB2  PHE  17           HB1      PHE  17 -11.976  10.733  -5.169
  140    HB3  PHE  17           HB2      PHE  17 -12.382  12.164  -6.138
  141    HD1  PHE  17           HD1      PHE  17  -8.912  11.907  -6.827
  142    HD2  PHE  17           HD2      PHE  17 -12.562   9.683  -7.387
  143    HE1  PHE  17           HE1      PHE  17  -7.904  10.724  -8.708
  144    HE2  PHE  17           HE2      PHE  17 -11.532   8.506  -9.309
  145    HZ   PHE  17           HZ       PHE  17  -9.194   9.026  -9.968
  146    H    ABA  18           HN       AGL  18 -12.385  14.288  -4.842
  147    HA   ABA  18           HA       AGL  18 -11.007  15.862  -6.823
  148    HB3  ABA  18           HB2      AGL  18 -12.870  17.521  -6.444
  149    HB2  ABA  18           HB1      AGL  18 -13.478  16.498  -5.118
  150    HG3  ABA  18           HG       AGL  18 -13.921  14.587  -6.705
  151    H    LEU  19           HN       LEU  19 -10.876  15.726  -3.340
  152    HA   LEU  19           HA       LEU  19  -9.613  18.313  -3.118
  153    HB2  LEU  19           HB1      LEU  19 -10.958  17.308  -1.252
  154    HB3  LEU  19           HB2      LEU  19  -9.778  15.970  -1.144
  155    HG   LEU  19           HG       LEU  19  -7.980  17.616  -0.524
  156   HD11  LEU  19          HD11      LEU  19 -10.263  19.696  -0.550
  157   HD12  LEU  19          HD12      LEU  19  -8.799  19.687  -1.610
  158   HD13  LEU  19          HD13      LEU  19  -8.622  19.947   0.156
  159   HD21  LEU  19          HD21      LEU  19 -10.508  17.771   1.233
  160   HD22  LEU  19          HD22      LEU  19  -8.814  18.084   1.768
  161   HD23  LEU  19          HD23      LEU  19  -9.293  16.432   1.231
  162    H    VAL  20           HN       VAL  20  -8.504  14.888  -3.040
  163    HA   VAL  20           HA       VAL  20  -5.763  15.462  -2.817
  164    HB   VAL  20           HB       VAL  20  -7.279  12.984  -3.724
  165   HG11  VAL  20          HG11      VAL  20  -4.998  12.861  -4.770
  166   HG12  VAL  20          HG12      VAL  20  -4.241  13.361  -3.213
  167   HG13  VAL  20          HG13      VAL  20  -5.064  11.767  -3.343
  168   HG21  VAL  20          HG21      VAL  20  -5.724  13.728  -1.143
  169   HG22  VAL  20          HG22      VAL  20  -7.516  13.719  -1.293
  170   HG23  VAL  20          HG23      VAL  20  -6.588  12.178  -1.440
  171    H    THR  21           HN       THR  21  -7.816  14.944  -5.757
  172    HA   THR  21           HA       THR  21  -5.862  16.508  -7.132
  173    HB   THR  21           HB       THR  21  -4.802  14.324  -7.378
  174    HG1  THR  21           HG1      THR  21  -4.428  14.554  -9.487
  175   HG21  THR  21          HG21      THR  21  -5.830  12.583  -8.825
  176   HG22  THR  21          HG22      THR  21  -7.327  13.569  -9.018
  177   HG23  THR  21          HG23      THR  21  -6.884  12.904  -7.401
  178    H    LYS  22           HN       LYS  22  -6.483  17.301  -9.189
  179    HA   LYS  22           HA       LYS  22  -9.255  18.020  -8.930
  180    HB2  LYS  22           HB1      LYS  22  -8.722  19.680 -10.751
  181    HB3  LYS  22           HB2      LYS  22  -7.677  19.802  -9.320
  182    HG2  LYS  22           HG1      LYS  22  -5.780  19.019 -10.350
  183    HG3  LYS  22           HG2      LYS  22  -6.621  18.025 -11.562
  184    HD2  LYS  22           HD1      LYS  22  -6.917  21.071 -11.725
  185    HD3  LYS  22           HD2      LYS  22  -5.364  20.316 -12.165
  186    HE2  LYS  22           HE1      LYS  22  -6.660  20.603 -14.214
  187    HE3  LYS  22           HE2      LYS  22  -6.447  18.846 -13.859
  188    HZ1  LYS  22           HZ1      LYS  22  -8.688  19.335 -14.545
  189    HZ2  LYS  22           HZ2      LYS  22  -8.894  20.461 -13.291
  190    HZ3  LYS  22           HZ3      LYS  22  -8.676  18.823 -12.938
  191    H    LYS  23           HN       LYS  23  -9.610  15.495  -9.654
  192    HA   LYS  23           HA       LYS  23 -10.135  15.479 -12.552
  193    HB2  LYS  23           HB1      LYS  23 -10.533  13.144 -12.406
  194    HB3  LYS  23           HB2      LYS  23  -9.081  13.545 -11.478
  195    HG2  LYS  23           HG1      LYS  23 -10.184  11.902 -10.242
  196    HG3  LYS  23           HG2      LYS  23 -10.315  13.416  -9.321
  197    HD2  LYS  23           HD1      LYS  23 -12.308  12.141  -9.055
  198    HD3  LYS  23           HD2      LYS  23 -12.762  13.581  -9.967
  199    HE2  LYS  23           HE1      LYS  23 -12.287  10.740 -11.172
  200    HE3  LYS  23           HE2      LYS  23 -13.893  11.421 -10.698
  201    HZ1  LYS  23           HZ1      LYS  23 -13.120  13.328 -12.292
  202    HZ2  LYS  23           HZ2      LYS  23 -13.847  11.928 -12.912
  203    HZ3  LYS  23           HZ3      LYS  23 -12.161  12.129 -12.958
  204    H    ABA  24           HN       AGL  24 -11.589  16.855 -10.029
  205    HA   ABA  24           HA       AGL  24 -14.345  16.461 -11.003
  206    HB3  ABA  24           HB2      AGL  24 -14.980  17.810  -8.957
  207    HB2  ABA  24           HB1      AGL  24 -13.251  17.904  -8.507
  208    HG3  ABA  24           HG       AGL  24 -14.722  15.172  -8.861
  Start of MODEL   19
    1    H1   PHE   1           HN       PHE   1   3.312   2.143  -7.591
    2    HA   PHE   1           HA       PHE   1   5.498   2.813  -5.802
    3    HB2  PHE   1           HB1      PHE   1   4.515   4.288  -7.806
    4    HB3  PHE   1           HB2      PHE   1   3.284   4.818  -6.614
    5    HD1  PHE   1           HD1      PHE   1   4.596   5.357  -4.126
    6    HD2  PHE   1           HD2      PHE   1   6.218   5.755  -8.092
    7    HE1  PHE   1           HE1      PHE   1   6.204   7.015  -3.299
    8    HE2  PHE   1           HE2      PHE   1   7.832   7.430  -7.256
    9    HZ   PHE   1           HZ       PHE   1   7.832   8.064  -4.854
   10    H    LEU   2           HN       LEU   2   1.912   3.200  -5.761
   11    HA   LEU   2           HA       LEU   2   1.983   2.486  -2.900
   12    HB2  LEU   2           HB1      LEU   2  -0.162   4.079  -4.473
   13    HB3  LEU   2           HB2      LEU   2  -0.399   3.415  -2.835
   14    HG   LEU   2           HG       LEU   2  -0.051   5.665  -2.489
   15   HD11  LEU   2          HD11      LEU   2   2.744   4.463  -2.007
   16   HD12  LEU   2          HD12      LEU   2   1.302   4.224  -0.945
   17   HD13  LEU   2          HD13      LEU   2   2.004   5.869  -1.165
   18   HD21  LEU   2          HD21      LEU   2   2.414   5.674  -4.324
   19   HD22  LEU   2          HD22      LEU   2   1.752   7.073  -3.403
   20   HD23  LEU   2          HD23      LEU   2   0.779   6.323  -4.724
   21    HA   PRO   3           HA       PRO   3  -0.681  -0.665  -4.787
   22    HB2  PRO   3           HB1      PRO   3  -1.783  -1.875  -2.567
   23    HB3  PRO   3           HB2      PRO   3  -0.011  -1.944  -2.864
   24    HG2  PRO   3           HG1      PRO   3  -1.478   0.069  -1.063
   25    HG3  PRO   3           HG2      PRO   3  -0.102  -1.025  -0.616
   26    HD2  PRO   3           HD1      PRO   3   0.257   1.611  -1.470
   27    HD3  PRO   3           HD2      PRO   3   1.459   0.300  -1.865
   28    H    ILE   4           HN       ILE   4  -3.246  -1.279  -3.771
   29    HA   ILE   4           HA       ILE   4  -4.830   0.481  -5.012
   30    HB   ILE   4           HB       ILE   4  -6.750  -0.605  -3.909
   31   HG12  ILE   4          HG11      ILE   4  -4.625  -2.112  -2.250
   32   HG13  ILE   4          HG12      ILE   4  -5.741  -0.863  -1.608
   33   HG21  ILE   4          HG21      ILE   4  -5.528  -1.532  -5.915
   34   HG22  ILE   4          HG22      ILE   4  -4.516  -2.544  -4.815
   35   HG23  ILE   4          HG23      ILE   4  -6.292  -2.802  -4.906
   36   HD11  ILE   4           HD1      ILE   4  -7.718  -2.289  -2.292
   37   HD12  ILE   4           HD2      ILE   4  -6.579  -3.580  -2.822
   38   HD13  ILE   4           HD3      ILE   4  -6.643  -3.093  -1.094
   39    H    LEU   5           HN       LEU   5  -3.757   1.033  -1.737
   40    HA   LEU   5           HA       LEU   5  -5.880   2.362  -0.653
   41    HB2  LEU   5           HB1      LEU   5  -2.909   2.976  -0.232
   42    HB3  LEU   5           HB2      LEU   5  -4.238   3.331   0.916
   43    HG   LEU   5           HG       LEU   5  -3.303   0.521   0.049
   44   HD11  LEU   5          HD11      LEU   5  -1.656   1.721   1.490
   45   HD12  LEU   5          HD12      LEU   5  -2.432   0.347   2.365
   46   HD13  LEU   5          HD13      LEU   5  -2.951   2.035   2.705
   47   HD21  LEU   5          HD21      LEU   5  -5.436   1.364   2.111
   48   HD22  LEU   5          HD22      LEU   5  -4.756  -0.292   1.938
   49   HD23  LEU   5          HD23      LEU   5  -5.709   0.421   0.592
   50    H    ALA   6           HN       ALA   6  -3.399   3.880  -2.786
   51    HA   ALA   6           HA       ALA   6  -4.369   6.529  -2.513
   52    HB1  ALA   6           HB1      ALA   6  -2.146   5.931  -3.521
   53    HB2  ALA   6           HB2      ALA   6  -2.983   5.086  -4.872
   54    HB3  ALA   6           HB3      ALA   6  -3.132   6.876  -4.693
   55    H    SER   7           HN       SER   7  -5.225   3.919  -4.848
   56    HA   SER   7           HA       SER   7  -7.213   5.376  -6.208
   57    HB2  SER   7           HB1      SER   7  -6.974   2.332  -5.857
   58    HB3  SER   7           HB2      SER   7  -7.970   3.192  -7.089
   59    HG   SER   7           HG1      SER   7  -5.912   2.503  -7.888
   60    H    LEU   8           HN       LEU   8  -7.361   3.310  -3.282
   61    HA   LEU   8           HA       LEU   8 -10.183   3.355  -3.082
   62    HB2  LEU   8           HB1      LEU   8  -8.044   3.021  -0.921
   63    HB3  LEU   8           HB2      LEU   8  -9.797   2.894  -0.595
   64    HG   LEU   8           HG       LEU   8  -8.240   1.058  -2.493
   65   HD11  LEU   8          HD11      LEU   8  -7.676   0.781  -0.052
   66   HD12  LEU   8          HD12      LEU   8  -8.572  -0.648  -0.702
   67   HD13  LEU   8          HD13      LEU   8  -9.424   0.567   0.319
   68   HD21  LEU   8          HD21      LEU   8 -11.169   0.954  -1.508
   69   HD22  LEU   8          HD22      LEU   8 -10.334  -0.345  -2.429
   70   HD23  LEU   8          HD23      LEU   8 -10.633   1.249  -3.211
   71    H    ALA   9           HN       ALA   9  -7.722   5.616  -1.750
   72    HA   ALA   9           HA       ALA   9  -9.538   7.317  -0.482
   73    HB1  ALA   9           HB1      ALA   9  -6.894   7.972  -1.934
   74    HB2  ALA   9           HB2      ALA   9  -7.719   9.039  -0.736
   75    HB3  ALA   9           HB3      ALA   9  -7.045   7.449  -0.222
   76    H    ALA  10           HN       ALA  10  -8.348   7.343  -3.869
   77    HA   ALA  10           HA       ALA  10  -9.948   9.427  -4.785
   78    HB1  ALA  10           HB1      ALA  10  -8.857   6.885  -6.159
   79    HB2  ALA  10           HB2      ALA  10  -9.485   8.318  -7.035
   80    HB3  ALA  10           HB3      ALA  10  -8.006   8.463  -6.006
   81    H    LYS  11           HN       LYS  11 -10.782   5.878  -4.825
   82    HA   LYS  11           HA       LYS  11 -13.302   6.425  -6.066
   83    HB2  LYS  11           HB1      LYS  11 -12.371   4.268  -6.475
   84    HB3  LYS  11           HB2      LYS  11 -12.002   4.021  -4.749
   85    HG2  LYS  11           HG1      LYS  11 -13.784   2.507  -5.398
   86    HG3  LYS  11           HG2      LYS  11 -14.359   3.683  -4.190
   87    HD2  LYS  11           HD1      LYS  11 -15.044   4.913  -6.650
   88    HD3  LYS  11           HD2      LYS  11 -15.283   3.184  -7.003
   89    HE2  LYS  11           HE1      LYS  11 -16.629   4.916  -4.802
   90    HE3  LYS  11           HE2      LYS  11 -17.414   4.133  -6.223
   91    HZ1  LYS  11           HZ1      LYS  11 -16.166   2.771  -3.883
   92    HZ2  LYS  11           HZ2      LYS  11 -16.827   1.977  -5.228
   93    HZ3  LYS  11           HZ3      LYS  11 -17.817   2.912  -4.210
   94    H    PHE  12           HN       PHE  12 -12.498   5.709  -2.589
   95    HA   PHE  12           HA       PHE  12 -15.399   5.839  -2.069
   96    HB2  PHE  12           HB1      PHE  12 -12.995   4.696  -0.544
   97    HB3  PHE  12           HB2      PHE  12 -14.553   5.019   0.296
   98    HD1  PHE  12           HD1      PHE  12 -16.659   4.009  -0.494
   99    HD2  PHE  12           HD2      PHE  12 -12.829   2.726  -1.929
  100    HE1  PHE  12           HE1      PHE  12 -17.653   1.847  -1.179
  101    HE2  PHE  12           HE2      PHE  12 -13.818   0.562  -2.640
  102    HZ   PHE  12           HZ       PHE  12 -16.230   0.116  -2.254
  103    H    GLY  13           HN       GLY  13 -12.671   7.858  -1.878
  104    HA2  GLY  13           HA1      GLY  13 -14.349   9.748  -0.341
  105    HA3  GLY  13           HA2      GLY  13 -12.606   9.884  -0.752
  106    HA   PRO  14           HA       PRO  14 -14.807  11.325  -4.647
  107    HB2  PRO  14           HB1      PRO  14 -17.415  12.317  -4.320
  108    HB3  PRO  14           HB2      PRO  14 -17.051  10.649  -4.903
  109    HG2  PRO  14           HG1      PRO  14 -17.698  11.504  -2.028
  110    HG3  PRO  14           HG2      PRO  14 -18.427  10.146  -2.982
  111    HD2  PRO  14           HD1      PRO  14 -16.373   9.690  -1.199
  112    HD3  PRO  14           HD2      PRO  14 -16.406   8.821  -2.794
  113    H    LYS  15           HN       LYS  15 -15.516  12.328  -1.352
  114    HA   LYS  15           HA       LYS  15 -14.819  15.071  -1.610
  115    HB2  LYS  15           HB1      LYS  15 -14.272  13.117   0.723
  116    HB3  LYS  15           HB2      LYS  15 -14.150  14.899   0.811
  117    HG2  LYS  15           HG1      LYS  15 -16.607  15.096   0.404
  118    HG3  LYS  15           HG2      LYS  15 -16.745  13.305   0.366
  119    HD2  LYS  15           HD1      LYS  15 -15.762  13.190   2.682
  120    HD3  LYS  15           HD2      LYS  15 -15.634  14.977   2.710
  121    HE2  LYS  15           HE1      LYS  15 -18.151  15.166   2.573
  122    HE3  LYS  15           HE2      LYS  15 -18.276  13.361   2.562
  123    HZ1  LYS  15           HZ1      LYS  15 -17.083  15.024   4.739
  124    HZ2  LYS  15           HZ2      LYS  15 -17.190  13.337   4.732
  125    HZ3  LYS  15           HZ3      LYS  15 -18.597  14.273   4.772
  126    H    LEU  16           HN       LEU  16 -12.794  12.127  -0.961
  127    HA   LEU  16           HA       LEU  16 -10.414  13.657  -0.751
  128    HB2  LEU  16           HB1      LEU  16 -10.743  10.662  -1.109
  129    HB3  LEU  16           HB2      LEU  16  -9.200  11.493  -0.763
  130    HG   LEU  16           HG       LEU  16 -11.640  11.532   1.105
  131   HD11  LEU  16          HD11      LEU  16  -9.022   9.908   1.246
  132   HD12  LEU  16          HD12      LEU  16 -10.650   9.244   0.852
  133   HD13  LEU  16          HD13      LEU  16 -10.322   9.929   2.490
  134   HD21  LEU  16          HD21      LEU  16  -9.971  12.382   2.796
  135   HD22  LEU  16          HD22      LEU  16 -10.178  13.539   1.432
  136   HD23  LEU  16          HD23      LEU  16  -8.724  12.476   1.505
  137    H    PHE  17           HN       PHE  17 -11.759  11.748  -3.541
  138    HA   PHE  17           HA       PHE  17  -9.487  12.121  -5.060
  139    HB2  PHE  17           HB1      PHE  17 -11.744  10.740  -5.507
  140    HB3  PHE  17           HB2      PHE  17 -12.218  12.149  -6.483
  141    HD1  PHE  17           HD1      PHE  17  -8.579  11.750  -6.815
  142    HD2  PHE  17           HD2      PHE  17 -12.340  10.023  -8.020
  143    HE1  PHE  17           HE1      PHE  17  -7.443  10.520  -8.557
  144    HE2  PHE  17           HE2      PHE  17 -11.183   8.797  -9.824
  145    HZ   PHE  17           HZ       PHE  17  -8.714   8.977 -10.058
  146    H    ABA  18           HN       AGL  18 -12.277  14.282  -4.687
  147    HA   ABA  18           HA       AGL  18 -11.436  16.274  -6.497
  148    HB3  ABA  18           HB2      AGL  18 -13.172  16.234  -3.971
  149    HB2  ABA  18           HB1      AGL  18 -13.760  16.006  -5.623
  150    HG3  ABA  18           HG       AGL  18 -13.884  18.409  -4.178
  151    H    LEU  19           HN       LEU  19 -10.734  15.752  -2.991
  152    HA   LEU  19           HA       LEU  19  -9.168  18.092  -2.774
  153    HB2  LEU  19           HB1      LEU  19 -10.264  16.912  -0.861
  154    HB3  LEU  19           HB2      LEU  19  -9.130  15.543  -1.077
  155    HG   LEU  19           HG       LEU  19  -7.203  17.054  -0.538
  156   HD11  LEU  19          HD11      LEU  19  -9.370  19.197  -0.038
  157   HD12  LEU  19          HD12      LEU  19  -8.057  19.255  -1.279
  158   HD13  LEU  19          HD13      LEU  19  -7.642  19.319   0.466
  159   HD21  LEU  19          HD21      LEU  19  -9.456  17.097   1.564
  160   HD22  LEU  19          HD22      LEU  19  -7.693  17.301   1.884
  161   HD23  LEU  19          HD23      LEU  19  -8.315  15.730   1.254
  162    H    VAL  20           HN       VAL  20  -8.119  14.678  -3.353
  163    HA   VAL  20           HA       VAL  20  -5.356  15.599  -3.344
  164    HB   VAL  20           HB       VAL  20  -4.621  13.396  -3.150
  165   HG11  VAL  20          HG11      VAL  20  -5.596  14.502  -1.110
  166   HG12  VAL  20          HG12      VAL  20  -7.174  13.689  -1.433
  167   HG13  VAL  20          HG13      VAL  20  -5.716  12.704  -1.055
  168   HG21  VAL  20          HG21      VAL  20  -7.490  12.468  -3.844
  169   HG22  VAL  20          HG22      VAL  20  -5.982  12.170  -4.785
  170   HG23  VAL  20          HG23      VAL  20  -6.196  11.410  -3.175
  171    H    THR  21           HN       THR  21  -7.628  15.460  -5.771
  172    HA   THR  21           HA       THR  21  -5.517  15.536  -7.725
  173    HB   THR  21           HB       THR  21  -7.758  13.476  -8.084
  174    HG1  THR  21           HG1      THR  21  -5.417  13.247  -6.904
  175   HG21  THR  21          HG21      THR  21  -7.021  14.412 -10.310
  176   HG22  THR  21          HG22      THR  21  -6.332  12.763 -10.089
  177   HG23  THR  21          HG23      THR  21  -5.287  14.197  -9.824
  178    H    LYS  22           HN       LYS  22  -6.303  16.675  -9.739
  179    HA   LYS  22           HA       LYS  22  -8.732  18.143  -9.264
  180    HB2  LYS  22           HB1      LYS  22  -8.413  19.139 -11.469
  181    HB3  LYS  22           HB2      LYS  22  -7.003  19.323 -10.400
  182    HG2  LYS  22           HG1      LYS  22  -5.627  17.895 -11.642
  183    HG3  LYS  22           HG2      LYS  22  -6.982  16.995 -12.384
  184    HD2  LYS  22           HD1      LYS  22  -6.342  19.934 -13.037
  185    HD3  LYS  22           HD2      LYS  22  -5.690  18.530 -13.945
  186    HE2  LYS  22           HE1      LYS  22  -8.030  17.786 -14.526
  187    HE3  LYS  22           HE2      LYS  22  -8.702  19.223 -13.667
  188    HZ1  LYS  22           HZ1      LYS  22  -8.528  19.590 -16.031
  189    HZ2  LYS  22           HZ2      LYS  22  -6.862  19.294 -16.018
  190    HZ3  LYS  22           HZ3      LYS  22  -7.491  20.642 -15.208
  191    H    LYS  23           HN       LYS  23  -9.933  16.000  -8.949
  192    HA   LYS  23           HA       LYS  23 -11.442  15.452 -11.450
  193    HB2  LYS  23           HB1      LYS  23 -11.251  13.758  -8.891
  194    HB3  LYS  23           HB2      LYS  23 -12.191  13.334 -10.354
  195    HG2  LYS  23           HG1      LYS  23  -9.128  13.601 -10.165
  196    HG3  LYS  23           HG2      LYS  23 -10.064  12.073 -10.098
  197    HD2  LYS  23           HD1      LYS  23 -10.842  12.369 -12.430
  198    HD3  LYS  23           HD2      LYS  23 -10.126  14.002 -12.512
  199    HE2  LYS  23           HE1      LYS  23  -8.704  12.351 -13.734
  200    HE3  LYS  23           HE2      LYS  23  -7.828  13.115 -12.347
  201    HZ1  LYS  23           HZ1      LYS  23  -8.435  11.167 -11.020
  202    HZ2  LYS  23           HZ2      LYS  23  -7.457  10.763 -12.350
  203    HZ3  LYS  23           HZ3      LYS  23  -9.125  10.437 -12.378
  204    H    ABA  24           HN       AGL  24 -11.421  17.618  -9.273
  205    HA   ABA  24           HA       AGL  24 -13.886  17.187  -7.858
  206    HB3  ABA  24           HB2      AGL  24 -12.189  19.748  -7.822
  207    HB2  ABA  24           HB1      AGL  24 -11.484  18.276  -7.171
  208    HG3  ABA  24           HG       AGL  24 -13.510  20.007  -5.861
  Start of MODEL   20
    1    H1   PHE   1           HN       PHE   1   1.141  -1.354   2.404
    2    HA   PHE   1           HA       PHE   1   2.110  -0.312  -0.139
    3    HB2  PHE   1           HB1      PHE   1   3.707  -1.458   1.631
    4    HB3  PHE   1           HB2      PHE   1   2.981  -3.014   1.099
    5    HD1  PHE   1           HD1      PHE   1   3.080  -3.541  -1.463
    6    HD2  PHE   1           HD2      PHE   1   5.362  -0.411   0.384
    7    HE1  PHE   1           HE1      PHE   1   4.517  -3.407  -3.473
    8    HE2  PHE   1           HE2      PHE   1   6.831  -0.302  -1.608
    9    HZ   PHE   1           HZ       PHE   1   6.400  -1.796  -3.550
   10    H    LEU   2           HN       LEU   2   0.022  -0.537  -1.322
   11    HA   LEU   2           HA       LEU   2  -0.080  -3.196  -2.435
   12    HB2  LEU   2           HB1      LEU   2  -1.697  -2.710  -0.289
   13    HB3  LEU   2           HB2      LEU   2  -2.753  -2.014  -1.530
   14    HG   LEU   2           HG       LEU   2  -2.809  -4.218  -2.711
   15   HD11  LEU   2          HD11      LEU   2  -1.091  -5.201  -0.339
   16   HD12  LEU   2          HD12      LEU   2  -0.586  -5.196  -2.067
   17   HD13  LEU   2          HD13      LEU   2  -1.928  -6.272  -1.528
   18   HD21  LEU   2          HD21      LEU   2  -3.411  -4.423   0.316
   19   HD22  LEU   2          HD22      LEU   2  -4.189  -5.384  -0.996
   20   HD23  LEU   2          HD23      LEU   2  -4.468  -3.606  -0.883
   21    HA   PRO   3           HA       PRO   3  -0.851  -0.496  -5.902
   22    HB2  PRO   3           HB1      PRO   3  -1.842  -2.326  -7.835
   23    HB3  PRO   3           HB2      PRO   3  -0.107  -2.205  -7.362
   24    HG2  PRO   3           HG1      PRO   3  -2.204  -4.161  -6.264
   25    HG3  PRO   3           HG2      PRO   3  -0.544  -4.533  -6.876
   26    HD2  PRO   3           HD1      PRO   3  -1.020  -4.248  -4.192
   27    HD3  PRO   3           HD2      PRO   3   0.483  -3.526  -4.921
   28    H    ILE   4           HN       ILE   4  -3.521  -2.756  -5.088
   29    HA   ILE   4           HA       ILE   4  -5.594  -1.278  -6.116
   30    HB   ILE   4           HB       ILE   4  -7.162  -2.448  -4.822
   31   HG12  ILE   4          HG11      ILE   4  -4.823  -3.685  -3.269
   32   HG13  ILE   4          HG12      ILE   4  -5.912  -2.410  -2.622
   33   HG21  ILE   4          HG21      ILE   4  -4.893  -4.330  -5.763
   34   HG22  ILE   4          HG22      ILE   4  -6.641  -4.712  -5.623
   35   HG23  ILE   4          HG23      ILE   4  -6.098  -3.515  -6.836
   36   HD11  ILE   4           HD1      ILE   4  -6.681  -4.585  -1.792
   37   HD12  ILE   4           HD2      ILE   4  -7.896  -3.958  -2.959
   38   HD13  ILE   4           HD3      ILE   4  -6.760  -5.266  -3.452
   39    H    LEU   5           HN       LEU   5  -3.683  -0.206  -3.478
   40    HA   LEU   5           HA       LEU   5  -5.481   1.248  -1.946
   41    HB2  LEU   5           HB1      LEU   5  -2.623   1.867  -2.875
   42    HB3  LEU   5           HB2      LEU   5  -3.488   2.904  -1.698
   43    HG   LEU   5           HG       LEU   5  -2.703  -0.019  -1.278
   44   HD11  LEU   5          HD11      LEU   5  -1.719   2.631  -0.053
   45   HD12  LEU   5          HD12      LEU   5  -0.829   1.613  -1.241
   46   HD13  LEU   5          HD13      LEU   5  -1.156   0.985   0.421
   47   HD21  LEU   5          HD21      LEU   5  -4.793   0.315  -0.061
   48   HD22  LEU   5          HD22      LEU   5  -4.245   1.926   0.550
   49   HD23  LEU   5          HD23      LEU   5  -3.447   0.416   1.122
   50    H    ALA   6           HN       ALA   6  -4.236   2.038  -5.181
   51    HA   ALA   6           HA       ALA   6  -5.098   4.703  -5.305
   52    HB1  ALA   6           HB1      ALA   6  -5.052   4.284  -7.802
   53    HB2  ALA   6           HB2      ALA   6  -3.603   3.572  -7.000
   54    HB3  ALA   6           HB3      ALA   6  -4.967   2.510  -7.488
   55    H    SER   7           HN       SER   7  -6.896   1.617  -5.840
   56    HA   SER   7           HA       SER   7  -9.334   2.834  -6.574
   57    HB2  SER   7           HB1      SER   7  -9.006   0.120  -5.178
   58    HB3  SER   7           HB2      SER   7 -10.412   0.682  -6.133
   59    HG   SER   7           HG1      SER   7  -9.091   0.637  -7.976
   60    H    LEU   8           HN       LEU   8  -7.915   2.048  -3.347
   61    HA   LEU   8           HA       LEU   8 -10.356   2.507  -1.986
   62    HB2  LEU   8           HB1      LEU   8  -7.536   2.851  -0.868
   63    HB3  LEU   8           HB2      LEU   8  -9.053   2.759   0.076
   64    HG   LEU   8           HG       LEU   8  -7.792   0.512  -1.590
   65   HD11  LEU   8          HD11      LEU   8  -8.290   0.761   1.447
   66   HD12  LEU   8          HD12      LEU   8  -6.719   1.096   0.644
   67   HD13  LEU   8          HD13      LEU   8  -7.422  -0.567   0.600
   68   HD21  LEU   8          HD21      LEU   8 -10.266   0.254  -1.736
   69   HD22  LEU   8          HD22      LEU   8 -10.407   0.475   0.057
   70   HD23  LEU   8          HD23      LEU   8  -9.574  -0.971  -0.614
   71    H    ALA   9           HN       ALA   9  -7.655   4.758  -2.752
   72    HA   ALA   9           HA       ALA   9  -9.086   6.970  -1.635
   73    HB1  ALA   9           HB1      ALA   9  -6.612   6.889  -1.750
   74    HB2  ALA   9           HB2      ALA   9  -6.690   6.872  -3.550
   75    HB3  ALA   9           HB3      ALA   9  -7.251   8.325  -2.627
   76    H    ALA  10           HN       ALA  10  -9.194   5.460  -4.853
   77    HA   ALA  10           HA       ALA  10 -10.533   7.748  -5.993
   78    HB1  ALA  10           HB1      ALA  10 -10.184   4.857  -6.985
   79    HB2  ALA  10           HB2      ALA  10 -10.754   6.253  -7.985
   80    HB3  ALA  10           HB3      ALA  10  -9.080   6.229  -7.324
   81    H    LYS  11           HN       LYS  11 -11.623   4.692  -4.485
   82    HA   LYS  11           HA       LYS  11 -14.387   5.223  -5.280
   83    HB2  LYS  11           HB1      LYS  11 -13.219   2.998  -5.511
   84    HB3  LYS  11           HB2      LYS  11 -13.078   2.895  -3.743
   85    HG2  LYS  11           HG1      LYS  11 -15.742   2.896  -5.338
   86    HG3  LYS  11           HG2      LYS  11 -14.829   1.457  -4.795
   87    HD2  LYS  11           HD1      LYS  11 -14.987   2.608  -2.399
   88    HD3  LYS  11           HD2      LYS  11 -16.399   3.445  -3.123
   89    HE2  LYS  11           HE1      LYS  11 -17.479   1.199  -3.581
   90    HE3  LYS  11           HE2      LYS  11 -16.031   0.375  -2.868
   91    HZ1  LYS  11           HZ1      LYS  11 -17.772   0.649  -1.221
   92    HZ2  LYS  11           HZ2      LYS  11 -17.794   2.331  -1.476
   93    HZ3  LYS  11           HZ3      LYS  11 -16.423   1.600  -0.826
   94    H    PHE  12           HN       PHE  12 -12.351   5.269  -2.298
   95    HA   PHE  12           HA       PHE  12 -14.736   6.161  -0.804
   96    HB2  PHE  12           HB1      PHE  12 -12.087   4.997   0.244
   97    HB3  PHE  12           HB2      PHE  12 -13.438   5.592   1.253
   98    HD1  PHE  12           HD1      PHE  12 -15.420   4.277   1.605
   99    HD2  PHE  12           HD2      PHE  12 -12.287   2.857  -0.950
  100    HE1  PHE  12           HE1      PHE  12 -16.258   1.967   1.874
  101    HE2  PHE  12           HE2      PHE  12 -13.133   0.541  -0.711
  102    HZ   PHE  12           HZ       PHE  12 -15.099   0.084   0.732
  103    H    GLY  13           HN       GLY  13 -12.446   7.590  -2.622
  104    HA2  GLY  13           HA1      GLY  13 -12.440   9.938  -0.823
  105    HA3  GLY  13           HA2      GLY  13 -10.927   9.324  -1.560
  106    HA   PRO  14           HA       PRO  14 -12.945  10.741  -5.472
  107    HB2  PRO  14           HB1      PRO  14 -15.545  11.733  -5.660
  108    HB3  PRO  14           HB2      PRO  14 -15.200   9.963  -5.625
  109    HG2  PRO  14           HG1      PRO  14 -15.901  11.752  -3.222
  110    HG3  PRO  14           HG2      PRO  14 -16.731  10.222  -3.738
  111    HD2  PRO  14           HD1      PRO  14 -14.751  10.154  -1.816
  112    HD3  PRO  14           HD2      PRO  14 -14.812   8.877  -3.110
  113    H    LYS  15           HN       LYS  15 -13.567  12.623  -2.597
  114    HA   LYS  15           HA       LYS  15 -13.610  15.197  -3.793
  115    HB2  LYS  15           HB1      LYS  15 -12.456  14.398  -1.037
  116    HB3  LYS  15           HB2      LYS  15 -12.697  16.066  -1.619
  117    HG2  LYS  15           HG1      LYS  15 -14.480  15.885  -0.299
  118    HG3  LYS  15           HG2      LYS  15 -15.227  15.452  -1.865
  119    HD2  LYS  15           HD1      LYS  15 -15.204  13.067  -1.293
  120    HD3  LYS  15           HD2      LYS  15 -14.157  13.333   0.129
  121    HE2  LYS  15           HE1      LYS  15 -17.041  14.434  -0.144
  122    HE3  LYS  15           HE2      LYS  15 -16.606  12.893   0.701
  123    HZ1  LYS  15           HZ1      LYS  15 -16.800  14.754   2.231
  124    HZ2  LYS  15           HZ2      LYS  15 -15.587  15.606   1.414
  125    HZ3  LYS  15           HZ3      LYS  15 -15.218  14.159   2.207
  126    H    LEU  16           HN       LEU  16 -10.835  13.191  -2.563
  127    HA   LEU  16           HA       LEU  16  -8.930  15.206  -3.087
  128    HB2  LEU  16           HB1      LEU  16  -8.566  12.173  -2.890
  129    HB3  LEU  16           HB2      LEU  16  -7.236  13.375  -2.910
  130    HG   LEU  16           HG       LEU  16  -9.422  13.233  -0.754
  131   HD11  LEU  16          HD11      LEU  16  -7.934  11.220  -0.769
  132   HD12  LEU  16          HD12      LEU  16  -7.644  12.252   0.683
  133   HD13  LEU  16          HD13      LEU  16  -6.487  12.291  -0.697
  134   HD21  LEU  16          HD21      LEU  16  -8.464  15.544  -0.950
  135   HD22  LEU  16          HD22      LEU  16  -6.796  14.860  -0.880
  136   HD23  LEU  16          HD23      LEU  16  -7.881  14.732   0.546
  137    H    PHE  17           HN       PHE  17 -10.153  12.498  -5.012
  138    HA   PHE  17           HA       PHE  17  -8.471  12.869  -7.193
  139    HB2  PHE  17           HB1      PHE  17 -10.051  10.933  -6.460
  140    HB3  PHE  17           HB2      PHE  17 -11.368  11.815  -7.292
  141    HD1  PHE  17           HD1      PHE  17  -8.400  12.356  -9.295
  142    HD2  PHE  17           HD2      PHE  17 -11.201   9.287  -8.120
  143    HE1  PHE  17           HE1      PHE  17  -7.798  11.052 -11.256
  144    HE2  PHE  17           HE2      PHE  17 -10.578   7.979 -10.124
  145    HZ   PHE  17           HZ       PHE  17  -8.873   8.859 -11.697
  146    H    ABA  18           HN       AGL  18 -11.730  14.381  -6.581
  147    HA   ABA  18           HA       AGL  18 -11.601  15.826  -9.062
  148    HB3  ABA  18           HB2      AGL  18 -13.613  17.078  -8.122
  149    HB2  ABA  18           HB1      AGL  18 -13.478  16.047  -6.663
  150    HG3  ABA  18           HG       AGL  18 -13.611  13.963  -8.297
  151    H    LEU  19           HN       LEU  19 -10.381  16.633  -5.810
  152    HA   LEU  19           HA       LEU  19  -9.938  19.401  -6.604
  153    HB2  LEU  19           HB1      LEU  19  -9.247  17.716  -4.175
  154    HB3  LEU  19           HB2      LEU  19  -8.384  19.259  -4.462
  155    HG   LEU  19           HG       LEU  19 -10.444  20.545  -4.455
  156   HD11  LEU  19          HD11      LEU  19 -12.155  18.886  -5.217
  157   HD12  LEU  19          HD12      LEU  19 -12.606  19.635  -3.642
  158   HD13  LEU  19          HD13      LEU  19 -11.935  17.969  -3.675
  159   HD21  LEU  19          HD21      LEU  19  -9.148  20.215  -2.372
  160   HD22  LEU  19          HD22      LEU  19 -10.041  18.689  -2.022
  161   HD23  LEU  19          HD23      LEU  19 -10.907  20.270  -1.979
  162    H    VAL  20           HN       VAL  20  -7.810  16.454  -6.241
  163    HA   VAL  20           HA       VAL  20  -5.423  17.796  -6.767
  164    HB   VAL  20           HB       VAL  20  -6.256  14.887  -7.079
  165   HG11  VAL  20          HG11      VAL  20  -3.467  16.113  -7.656
  166   HG12  VAL  20          HG12      VAL  20  -3.766  14.365  -7.341
  167   HG13  VAL  20          HG13      VAL  20  -4.475  15.136  -8.788
  168   HG21  VAL  20          HG21      VAL  20  -5.979  15.880  -4.751
  169   HG22  VAL  20          HG22      VAL  20  -4.738  14.622  -5.111
  170   HG23  VAL  20          HG23      VAL  20  -4.294  16.365  -5.186
  171    H    THR  21           HN       THR  21  -7.481  15.946  -9.100
  172    HA   THR  21           HA       THR  21  -5.908  17.214 -11.237
  173    HB   THR  21           HB       THR  21  -7.423  15.823 -12.796
  174    HG1  THR  21           HG1      THR  21  -8.710  15.091 -10.801
  175   HG21  THR  21          HG21      THR  21  -5.838  13.938 -12.535
  176   HG22  THR  21          HG22      THR  21  -5.321  14.569 -10.929
  177   HG23  THR  21          HG23      THR  21  -4.982  15.520 -12.426
  178    H    LYS  22           HN       LYS  22  -8.232  18.431  -9.415
  179    HA   LYS  22           HA       LYS  22  -9.891  19.898  -9.628
  180    HB2  LYS  22           HB1      LYS  22  -7.771  21.069 -10.401
  181    HB3  LYS  22           HB2      LYS  22  -8.354  20.800 -12.078
  182    HG2  LYS  22           HG1      LYS  22 -10.585  21.994 -10.811
  183    HG3  LYS  22           HG2      LYS  22  -9.241  22.810  -9.988
  184    HD2  LYS  22           HD1      LYS  22 -10.002  22.702 -12.970
  185    HD3  LYS  22           HD2      LYS  22  -9.927  24.146 -11.932
  186    HE2  LYS  22           HE1      LYS  22  -7.579  22.519 -13.144
  187    HE3  LYS  22           HE2      LYS  22  -8.039  24.227 -13.499
  188    HZ1  LYS  22           HZ1      LYS  22  -6.150  24.032 -11.983
  189    HZ2  LYS  22           HZ2      LYS  22  -7.120  23.172 -10.882
  190    HZ3  LYS  22           HZ3      LYS  22  -7.478  24.795 -11.230
  191    H    LYS  23           HN       LYS  23 -11.136  17.789 -10.387
  192    HA   LYS  23           HA       LYS  23 -12.415  18.295 -13.013
  193    HB2  LYS  23           HB1      LYS  23 -11.930  15.498 -11.840
  194    HB3  LYS  23           HB2      LYS  23 -12.698  15.896 -13.419
  195    HG2  LYS  23           HG1      LYS  23 -10.398  17.030 -14.024
  196    HG3  LYS  23           HG2      LYS  23  -9.789  16.206 -12.573
  197    HD2  LYS  23           HD1      LYS  23  -9.202  14.683 -14.260
  198    HD3  LYS  23           HD2      LYS  23 -10.664  13.982 -13.537
  199    HE2  LYS  23           HE1      LYS  23 -10.780  13.736 -15.986
  200    HE3  LYS  23           HE2      LYS  23 -12.040  14.929 -15.484
  201    HZ1  LYS  23           HZ1      LYS  23 -10.831  15.720 -17.388
  202    HZ2  LYS  23           HZ2      LYS  23  -9.342  15.538 -16.602
  203    HZ3  LYS  23           HZ3      LYS  23 -10.448  16.694 -16.053
  204    H    ABA  24           HN       AGL  24 -14.327  16.067 -12.490
  205    HA   ABA  24           HA       AGL  24 -16.331  15.769 -11.671
  206    HB3  ABA  24           HB2      AGL  24 -16.913  16.222  -9.301
  207    HB2  ABA  24           HB1      AGL  24 -15.451  17.223  -9.119
  208    HG3  ABA  24           HG       AGL  24 -15.498  14.148  -9.722