*HEADER    TRANSPORT PROTEIN                       17-APR-16   5JDX              
*TITLE     PIGG HOLO                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PUTATIVE PEPTIDYL CARRIER PROTEIN;                         
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: PIGG HOLO;                                                  
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SERRATIA SP.;                                   
*SOURCE   3 ORGANISM_TAXID: 616;                                                 
*SOURCE   4 GENE: PIGG;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    PEPTIDYL CARRIER PROTEIN, PRODIGIOSIN, PYRROLE, TRANSPORT PROTEIN     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.J.JAREMKO,D.J.LEE,M.D.BURKART                                       
*REVDAT   1   23-AUG-17 5JDX    0                                                
# Restraints file 1: final.upl
 68 GLN  QB     68 GLN  HE22    4.50            #peak 5 #SUP 0.81 #QF 0.81
 48 GLN  HB3    48 GLN  HE21    4.70            #peak 13 #SUP 0.67 #QF 0.67
 75 GLN  HB3    75 GLN  HE22    5.17            #peak 21 #SUP 0.68 #QF 0.68
 75 GLN  HB3    75 GLN  HE21    5.17            #peak 23 #SUP 0.65 #QF 0.65
 12 THR  HA     17 GLY  H       3.63            #peak 29 #SUP 0.81 #QF 0.81
 13 GLN  H      17 GLY  H       4.60            #peak 35 #SUP 0.70 #QF 0.70
 27 PRO  HA     28 LEU  H       3.55            #peak 49 #SUP 0.98 #QF 0.98
 18 GLU  HA     19 LYS  H       2.58            #peak 53 #SUP 0.57 #QF 0.57
 19 LYS  H      20 ASP  QB      4.32            #peak 55 #SUP 0.86 #QF 0.86
 18 GLU  HB3    19 LYS  H       4.37            #peak 56 #SUP 0.99 #QF 0.99
 19 LYS  H      19 LYS  HB2     3.14            #peak 58 #SUP 0.89 #QF 0.89
 75 GLN  H      78 LYS  HG2     4.67            #peak 60 #SUP 0.79 #QF 0.79
 86 ALA  QB     87 ALA  H       3.50            #peak 61 #SUP 0.89 #QF 0.46
 87 ALA  H      87 ALA  QB      3.27            #peak 61 #SUP 0.89 #QF 0.46
  9 HIS  H      11 ALA  H       4.05            #peak 63 #SUP 0.43 #QF 0.43
 28 LEU  H      66 THR  HA      3.94            #peak 67 #SUP 0.95 #QF 0.95
  8 ASN  QB      9 HIS  H       3.60            #peak 73 #SUP 0.93 #QF 0.93
  9 HIS  H       9 HIS  QB      3.13            #peak 74 #SUP 0.80 #QF 0.80
 71 VAL  HB     72 ALA  H       4.00            #peak 76 #SUP 0.98 #QF 0.98
 27 PRO  HB2    28 LEU  H       3.98            #peak 77 #SUP 0.92 #QF 0.92
 28 LEU  H      28 LEU  HG      3.89            #peak 78 #SUP 0.98 #QF 0.98
 28 LEU  H      28 LEU  HB2     3.71            #peak 79 #SUP 0.98 #QF 0.98
 28 LEU  H      66 THR  QG2     3.74            #peak 81 #SUP 0.87 #QF 0.87
 71 VAL  QG1    72 ALA  H       4.59            #peak 82 #SUP 1.00 #QF 0.99
 71 VAL  QG2    72 ALA  H       4.59            #peak 82 #SUP 1.00 #QF 0.99
  7 ILE  QG2     9 HIS  H       4.67            #peak 83 #SUP 0.87 #QF 0.87
 28 LEU  H      28 LEU  QD1     3.73            #peak 84 #SUP 0.92 #QF 0.38
 78 LYS  H      78 LYS  HB2     3.03            #peak 95 #SUP 0.85 #QF 0.85
 78 LYS  H      78 LYS  HG3     3.95            #peak 97 #SUP 0.52 #QF 0.52
 78 LYS  H      78 LYS  HG2     3.75            #peak 98 #SUP 0.94 #QF 0.94
 77 LEU  QD1    78 LYS  H       3.77            #peak 99 #SUP 0.42 #QF 0.42
 87 ALA  HA     88 LEU  H       3.03            #peak 103 #SUP 0.95 #QF 0.41
 87 ALA  QB     88 LEU  H       3.65            #peak 105 #SUP 0.90 #QF 0.90
 76 ARG  H      76 ARG  QB      2.90            #peak 120 #SUP 0.85 #QF 0.85
 76 ARG  H      76 ARG  HG2     4.10            #peak 121 #SUP 0.63 #QF 0.63
 76 ARG  H      78 LYS  HG2     5.05            #peak 122 #SUP 0.64 #QF 0.64
 76 ARG  H      77 LEU  QD1     4.75            #peak 125 #SUP 0.49 #QF 0.49
 13 GLN  H      14 PHE  H       3.61            #peak 128 #SUP 0.88 #QF 0.88
 14 PHE  H      15 LEU  H       3.23            #peak 132 #SUP 0.98 #QF 0.98
 12 THR  HB     14 PHE  H       4.70            #peak 135 #SUP 0.85 #QF 0.85
 36 PNS  H32    36 PNS  H36     3.59            #peak 137 #SUP 0.84 #QF 0.84
 14 PHE  H      14 PHE  HB3     3.78            #peak 141 #SUP 0.62 #QF 0.62
 14 PHE  H      14 PHE  HB2     3.76            #peak 142 #SUP 0.99 #QF 0.99
 36 PNS  H36    36 PNS  Q38     4.08            #peak 143 #SUP 0.96 #QF 0.96
  5 LYS  H       5 LYS  HB3     4.07            #peak 144 #SUP 0.82 #QF 0.82
  5 LYS  H       5 LYS  HB2     4.07            #peak 145 #SUP 0.82 #QF 0.82
  5 LYS  H       5 LYS  HG2     4.84            #peak 147 #SUP 0.65 #QF 0.65
 14 PHE  H      15 LEU  HG      4.32            #peak 148 #SUP 0.88 #QF 0.88
 36 PNS  Q52    36 PNS  H36     3.97            #peak 151 #SUP 0.78 #QF 0.78
 21 GLY  H      23 ASP  H       5.50            #peak 153 #SUP 0.80 #QF 0.80
 22 LEU  HA     23 ASP  H       3.12            #peak 155 #SUP 1.00 #QF 0.89
 23 ASP  H      26 THR  HB      4.17            #peak 156 #SUP 0.97 #QF 0.97
 22 LEU  HB3    23 ASP  H       4.52            #peak 159 #SUP 1.00
 23 ASP  H      26 THR  QG2     4.26            #peak 161 #SUP 0.87 #QF 0.87
 41 ASP  H      42 LEU  H       3.41            #peak 163 #SUP 0.91 #QF 0.91
 40 PHE  H      41 ASP  H       3.47            #peak 164 #SUP 0.90 #QF 0.90
 41 ASP  H      41 ASP  HB3     3.23            #peak 167 #SUP 0.84 #QF 0.84
 41 ASP  H      41 ASP  HB2     3.23            #peak 168 #SUP 0.90 #QF 0.90
 70 MET  H      70 MET  HB2     3.70            #peak 176 #SUP 0.95 #QF 0.95
 70 MET  H      70 MET  HG2     3.83            #peak 177 #SUP 0.89 #QF 0.89
 70 MET  H      70 MET  HB3     3.82            #peak 178 #SUP 0.83 #QF 0.83
 70 MET  H      70 MET  HG3     3.83            #peak 180 #SUP 0.96 #QF 0.96
 70 MET  H      72 ALA  QB      5.03            #peak 181 #SUP 0.46 #QF 0.46
 23 ASP  H      26 THR  H       4.07            #peak 185 #SUP 0.94 #QF 0.94
 25 GLN  H      26 THR  H       3.10            #peak 186 #SUP 0.94 #QF 0.94
 74 VAL  H      75 GLN  H       3.63            #peak 187 #SUP 0.94 #QF 0.94
 74 VAL  H      76 ARG  H       4.26            #peak 189 #SUP 0.36 #QF 0.36
 26 THR  H      26 THR  HB      3.37            #peak 195 #SUP 0.87 #QF 0.87
 70 MET  HA     74 VAL  H       5.18            #peak 196 #SUP 0.95 #QF 0.95
 26 THR  H      27 PRO  HD3     5.03            #peak 197 #SUP 0.92 #QF 0.92
 25 GLN  HB3    26 THR  H       4.10            #peak 200 #SUP 0.96 #QF 0.96
 74 VAL  H      74 VAL  HB      3.14            #peak 201 #SUP 0.57 #QF 0.57
 25 GLN  HB2    26 THR  H       4.10            #peak 202 #SUP 0.97 #QF 0.97
 73 LEU  HG     74 VAL  H       3.68            #peak 205 #SUP 0.98 #QF 0.78
 26 THR  H      26 THR  QG2     4.01            #peak 206 #SUP 0.94 #QF 0.94
 86 ALA  H      86 ALA  QB      4.15            #peak 211 #SUP 0.97 #QF 0.97
 48 GLN  H      50 SER  H       4.46            #peak 212 #SUP 0.80 #QF 0.80
 50 SER  H      51 LYS  H       3.28            #peak 213 #SUP 0.93 #QF 0.93
 46 LEU  HA     50 SER  H       3.83            #peak 218 #SUP 0.24 #QF 0.24
 49 GLU  HB3    50 SER  H       3.64            #peak 220 #SUP 0.73 #QF 0.73
 49 GLU  HB2    50 SER  H       3.77            #peak 221 #SUP 0.94 #QF 0.94
 36 PNS  H      37 ALA  H       3.72            #peak 223 #SUP 1.00
 35 ASP  HA     37 ALA  H       4.68            #peak 229 #SUP 0.98 #QF 0.98
 35 ASP  HB3    37 ALA  H       4.35            #peak 233 #SUP 0.93 #QF 0.93
 35 ASP  HB2    37 ALA  H       4.35            #peak 234 #SUP 0.95 #QF 0.95
 36 PNS  Q52    36 PNS  H41     4.71            #peak 237 #SUP 0.93 #QF 0.93
 24 SER  HA     67 VAL  H       4.73            #peak 241 #SUP 0.85 #QF 0.85
 67 VAL  H      67 VAL  HB      3.74            #peak 243 #SUP 0.87 #QF 0.87
 28 LEU  QD2    67 VAL  H       5.06            #peak 245 #SUP 0.96 #QF 0.96
 61 PRO  HA     63 ASN  H       4.56            #peak 247 #SUP 0.78 #QF 0.78
 62 ALA  H      63 ASN  H       4.66            #peak 248 #SUP 0.98 #QF 0.98
 63 ASN  H      63 ASN  HB3     3.86            #peak 256 #SUP 0.89 #QF 0.89
 78 LYS  H      79 ALA  H       3.48            #peak 259 #SUP 0.83 #QF 0.83
 59 ILE  HA     60 HIS  H       3.07            #peak 267 #SUP 0.76 #QF 0.76
 60 HIS  H      64 PHE  HB2     5.50            #peak 268 #SUP 0.27 #QF 0.27
 60 HIS  H      60 HIS  QB      3.68            #peak 269 #SUP 1.00
 59 ILE  HB     60 HIS  H       4.57            #peak 272 #SUP 0.99 #QF 0.99
 78 LYS  HB3    79 ALA  H       4.19            #peak 274 #SUP 0.95 #QF 0.51
 78 LYS  HB2    79 ALA  H       4.32            #peak 274 #SUP 0.95 #QF 0.51
 36 PNS  Q51    60 HIS  H       5.17            #peak 278 #SUP 0.55 #QF 0.55
 36 PNS  Q38    36 PNS  H41     3.62            #peak 287 #SUP 1.00
 77 LEU  H      77 LEU  HG      3.10            #peak 289 #SUP 0.95 #QF 0.32
 77 LEU  H      77 LEU  HB3     3.76            #peak 290 #SUP 0.88 #QF 0.88
 77 LEU  H      77 LEU  QD2     3.44            #peak 291 #SUP 0.64 #QF 0.64
 75 GLN  H      76 ARG  H       3.69            #peak 293 #SUP 0.91 #QF 0.91
 88 LEU  HA     89 GLU  H       3.13            #peak 296 #SUP 0.63 #QF 0.63
 68 GLN  HA     71 VAL  H       3.83            #peak 297 #SUP 0.94 #QF 0.94
 74 VAL  HB     75 GLN  H       3.04            #peak 302 #SUP 0.70 #QF 0.70
 49 GLU  H      49 GLU  HB2     3.58            #peak 305 #SUP 0.98 #QF 0.98
 35 ASP  H      38 ALA  H       4.13            #peak 308 #SUP 0.98 #QF 0.98
 14 PHE  QE     35 ASP  H       4.59            #peak 310 #SUP 0.98 #QF 0.98
 34 VAL  H      35 ASP  H       4.74            #peak 311 #SUP 1.00
 34 VAL  HA     35 ASP  H       3.08            #peak 315 #SUP 0.98 #QF 0.98
 35 ASP  H      35 ASP  HB3     3.92            #peak 316 #SUP 0.99 #QF 0.99
 35 ASP  H      35 ASP  HB2     3.92            #peak 317 #SUP 0.97 #QF 0.97
 35 ASP  H      38 ALA  QB      3.38            #peak 318 #SUP 0.70 #QF 0.70
 33 ILE  QG2    35 ASP  H       5.50            #peak 319 #SUP 0.83 #QF 0.83
 34 VAL  QG1    35 ASP  H       4.22            #peak 321 #SUP 1.00
 17 GLY  H      18 GLU  H       3.47            #peak 326 #SUP 0.84 #QF 0.84
 18 GLU  H      19 LYS  H       4.64            #peak 327 #SUP 0.76 #QF 0.76
 39 ILE  H      40 PHE  H       3.32            #peak 329 #SUP 0.89 #QF 0.89
 36 PNS  HA     39 ILE  H       3.94            #peak 332 #SUP 0.79 #QF 0.79
 11 ALA  HA     18 GLU  H       5.34            #peak 333 #SUP 0.77 #QF 0.77
 18 GLU  H      18 GLU  HB3     3.03            #peak 338 #SUP 0.66 #QF 0.66
 39 ILE  H      39 ILE  HB      3.03            #peak 341 #SUP 0.95 #QF 0.95
 11 ALA  QB     18 GLU  H       4.20            #peak 342 #SUP 0.96 #QF 0.96
 39 ILE  H      39 ILE  HG12    3.77            #peak 343 #SUP 0.84 #QF 0.84
 15 LEU  QD1    18 GLU  H       4.38            #peak 344 #SUP 0.88 #QF 0.88
 39 ILE  H      39 ILE  HG13    3.77            #peak 346 #SUP 0.77 #QF 0.77
 34 VAL  QG2    39 ILE  H       4.13            #peak 347 #SUP 0.97 #QF 0.55
 39 ILE  H      39 ILE  QD1     4.35            #peak 347 #SUP 0.97 #QF 0.55
 51 LYS  H      51 LYS  HD3     4.59            #peak 358 #SUP 0.91 #QF 0.91
 51 LYS  H      51 LYS  HG2     4.39            #peak 359 #SUP 0.86 #QF 0.86
 79 ALA  H      80 HIS  H       4.04            #peak 362 #SUP 0.71 #QF 0.71
 79 ALA  QB     80 HIS  H       4.02            #peak 366 #SUP 0.98 #QF 0.98
 58 GLU  H      59 ILE  H       3.20            #peak 367 #SUP 0.87 #QF 0.87
 56 MET  HA     59 ILE  H       3.73            #peak 368 #SUP 0.91 #QF 0.91
 59 ILE  H      59 ILE  HB      3.23            #peak 370 #SUP 0.95 #QF 0.95
 59 ILE  H      59 ILE  QG2     3.93            #peak 371 #SUP 1.00
 22 LEU  H      23 ASP  H       4.36            #peak 372 #SUP 0.93 #QF 0.93
 21 GLY  H      22 LEU  H       3.59            #peak 373 #SUP 0.92 #QF 0.92
 20 ASP  HA     22 LEU  H       3.90            #peak 379 #SUP 0.66 #QF 0.66
 21 GLY  HA3    22 LEU  H       3.37            #peak 381 #SUP 0.83 #QF 0.83
 20 ASP  QB     22 LEU  H       4.85            #peak 382 #SUP 0.91 #QF 0.91
 22 LEU  H      22 LEU  HB2     3.22            #peak 384 #SUP 0.77 #QF 0.77
 54 ILE  QD1    59 ILE  H       3.35            #peak 386 #SUP 0.39 #QF 0.39
 48 GLN  HB3    48 GLN  HE22    4.70            #peak 388 #SUP 0.53 #QF 0.53
 45 PHE  H      47 ARG  H       4.84            #peak 391 #SUP 0.66 #QF 0.51
 47 ARG  H      49 GLU  H       5.26            #peak 391 #SUP 0.66 #QF 0.51
 45 PHE  H      46 LEU  H       3.67            #peak 392 #SUP 0.99 #QF 0.99
 44 ASP  HA     47 ARG  H       4.36            #peak 396 #SUP 0.98 #QF 0.98
 43 VAL  HA     46 LEU  H       4.32            #peak 401 #SUP 0.66 #QF 0.66
 46 LEU  HB2    47 ARG  H       3.41            #peak 405 #SUP 0.92 #QF 0.48
 47 ARG  H      47 ARG  HB2     3.79            #peak 405 #SUP 0.92 #QF 0.48
 47 ARG  H      47 ARG  HG2     4.17            #peak 406 #SUP 0.89 #QF 0.89
 46 LEU  HB3    47 ARG  H       4.31            #peak 407 #SUP 0.99 #QF 0.99
 46 LEU  H      46 LEU  HB3     3.75            #peak 408 #SUP 0.98 #QF 0.98
 46 LEU  H      46 LEU  QD2     4.12            #peak 409 #SUP 0.57 #QF 0.57
 47 ARG  H      54 ILE  QG2     5.25            #peak 410 #SUP 0.81 #QF 0.61
 28 LEU  H      29 PHE  H       3.80            #peak 412 #SUP 0.97 #QF 0.97
 29 PHE  H      30 GLU  H       3.44            #peak 414 #SUP 0.99 #QF 0.99
 29 PHE  H      65 ALA  HA      4.44            #peak 419 #SUP 0.76 #QF 0.76
 29 PHE  H      29 PHE  HB3     3.78            #peak 421 #SUP 0.80 #QF 0.80
 28 LEU  HB2    29 PHE  H       3.88            #peak 426 #SUP 0.95 #QF 0.95
 28 LEU  HB3    29 PHE  H       4.26            #peak 427 #SUP 0.98 #QF 0.98
 28 LEU  QD1    29 PHE  H       4.96            #peak 428 #SUP 0.98 #QF 0.31
 40 PHE  H      42 LEU  H       4.64            #peak 431 #SUP 0.91 #QF 0.91
  6 LEU  H       7 ILE  H       4.01            #peak 442 #SUP 0.90 #QF 0.90
  7 ILE  H       8 ASN  H       3.82            #peak 447 #SUP 0.89 #QF 0.89
 12 THR  H      13 GLN  H       3.25            #peak 448 #SUP 0.48 #QF 0.48
 13 GLN  H      15 LEU  H       4.37            #peak 450 #SUP 0.56 #QF 0.56
  4 SER  HA      7 ILE  H       4.38            #peak 454 #SUP 0.75 #QF 0.48
  5 LYS  HA      7 ILE  H       5.04            #peak 454 #SUP 0.75 #QF 0.48
 12 THR  HB     13 GLN  H       3.46            #peak 456 #SUP 0.93 #QF 0.93
 10 ILE  HA     13 GLN  H       4.05            #peak 459 #SUP 0.86 #QF 0.86
 45 PHE  H      45 PHE  HB2     3.24            #peak 461 #SUP 0.57 #QF 0.57
 45 PHE  H      46 LEU  HB2     5.29            #peak 462 #SUP 0.73 #QF 0.58
 45 PHE  H      48 GLN  HB2     5.50            #peak 462 #SUP 0.73 #QF 0.58
  7 ILE  H       7 ILE  HB      3.20            #peak 463 #SUP 0.81 #QF 0.81
 10 ILE  HB     13 GLN  H       4.59            #peak 464 #SUP 0.98 #QF 0.98
  6 LEU  HB2     7 ILE  H       4.47            #peak 466 #SUP 0.93 #QF 0.93
 13 GLN  H      13 GLN  HG2     3.81            #peak 467 #SUP 0.99 #QF 0.99
 13 GLN  H      13 GLN  HG3     3.81            #peak 468 #SUP 0.75 #QF 0.75
  6 LEU  QD2     7 ILE  H       4.12            #peak 469 #SUP 0.82 #QF 0.82
  7 ILE  H       7 ILE  QG2     3.84            #peak 471 #SUP 0.56 #QF 0.56
 70 MET  H      71 VAL  H       3.42            #peak 474 #SUP 0.98 #QF 0.98
 67 VAL  HA     71 VAL  H       4.25            #peak 476 #SUP 0.88 #QF 0.88
 71 VAL  H      71 VAL  HB      3.08            #peak 479 #SUP 0.96 #QF 0.96
 71 VAL  H      72 ALA  QB      4.27            #peak 481 #SUP 0.97 #QF 0.97
 71 VAL  H      71 VAL  QG2     4.30            #peak 482 #SUP 0.94 #QF 0.94
 52 VAL  HA     53 SER  H       3.07            #peak 487 #SUP 0.96 #QF 0.81
 52 VAL  QG1    53 SER  H       4.22            #peak 491 #SUP 0.65 #QF 0.65
 36 PNS  H      38 ALA  H       4.77            #peak 492 #SUP 0.91 #QF 0.91
 38 ALA  H      39 ILE  H       3.16            #peak 494 #SUP 0.90 #QF 0.90
 38 ALA  H      40 PHE  H       4.65            #peak 495 #SUP 0.56 #QF 0.56
 38 ALA  H      38 ALA  QB      2.80            #peak 503 #SUP 0.92 #QF 0.92
 34 VAL  QG2    38 ALA  H       4.34            #peak 506 #SUP 0.72 #QF 0.72
  8 ASN  H       9 HIS  H       3.54            #peak 507 #SUP 0.55 #QF 0.55
  8 ASN  H       8 ASN  QB      3.12            #peak 511 #SUP 0.95 #QF 0.95
  7 ILE  HB      8 ASN  H       3.59            #peak 512 #SUP 0.84 #QF 0.84
  7 ILE  QG2     8 ASN  H       3.72            #peak 514 #SUP 0.88 #QF 0.88
 20 ASP  H      20 ASP  QB      3.11            #peak 524 #SUP 0.89 #QF 0.89
 18 GLU  HG3    20 ASP  H       3.92            #peak 525 #SUP 0.81 #QF 0.81
 10 ILE  HB     11 ALA  H       4.25            #peak 528 #SUP 0.90 #QF 0.85
 10 ILE  HG12   11 ALA  H       4.63            #peak 528 #SUP 0.90 #QF 0.85
 11 ALA  H      15 LEU  HG      4.74            #peak 529 #SUP 0.56 #QF 0.56
  7 ILE  QG2    11 ALA  H       3.95            #peak 531 #SUP 0.79 #QF 0.74
 82 GLU  H      83 GLN  H       4.80            #peak 533 #SUP 0.99 #QF 0.99
 11 ALA  H      12 THR  H       3.51            #peak 541 #SUP 0.94 #QF 0.94
 12 THR  H      12 THR  HB      3.14            #peak 546 #SUP 0.92 #QF 0.92
 10 ILE  HB     12 THR  H       4.94            #peak 549 #SUP 0.87 #QF 0.87
 66 THR  H      69 SER  H       4.31            #peak 554 #SUP 0.89 #QF 0.89
 72 ALA  H      73 LEU  H       3.24            #peak 556 #SUP 0.84 #QF 0.84
 28 LEU  H      66 THR  H       5.50            #peak 557 #SUP 0.88 #QF 0.88
 30 GLU  H      31 LEU  H       3.53            #peak 561 #SUP 0.90 #QF 0.90
 71 VAL  HA     73 LEU  H       4.69            #peak 569 #SUP 0.85 #QF 0.85
 28 LEU  HG     66 THR  H       5.50            #peak 575 #SUP 0.91 #QF 0.91
 30 GLU  H      31 LEU  HG      4.65            #peak 576 #SUP 0.53 #QF 0.53
 73 LEU  H      73 LEU  HB3     3.58            #peak 578 #SUP 0.61 #QF 0.61
 66 THR  H      66 THR  QG2     3.90            #peak 579 #SUP 0.96 #QF 0.96
 16 ASP  H      17 GLY  H       3.78            #peak 594 #SUP 0.94 #QF 0.94
 14 PHE  H      16 ASP  H       4.49            #peak 595 #SUP 0.93 #QF 0.93
 15 LEU  H      16 ASP  H       3.41            #peak 596 #SUP 0.88 #QF 0.88
 16 ASP  H      16 ASP  HA      2.89            #peak 598 #SUP 0.93 #QF 0.93
 16 ASP  H      16 ASP  HB2     4.05            #peak 600 #SUP 0.93 #QF 0.93
 16 ASP  H      16 ASP  HB3     4.05            #peak 601 #SUP 0.95 #QF 0.95
 15 LEU  QD2    16 ASP  H       4.82            #peak 603 #SUP 0.76 #QF 0.76
 35 ASP  H      36 PNS  H       4.69            #peak 606 #SUP 0.99 #QF 0.99
 35 ASP  HA     36 PNS  H       3.30            #peak 607 #SUP 0.97 #QF 0.97
 36 PNS  H      36 PNS  QB      3.06            #peak 609 #SUP 0.64 #QF 0.64
 35 ASP  HB3    36 PNS  H       3.54            #peak 610 #SUP 0.86 #QF 0.86
 35 ASP  HB2    36 PNS  H       3.54            #peak 611 #SUP 0.98 #QF 0.98
 36 PNS  H      37 ALA  QB      4.95            #peak 612 #SUP 0.93 #QF 0.93
 57 GLN  H      58 GLU  H       4.18            #peak 613 #SUP 0.82 #QF 0.82
 55 GLY  H      58 GLU  H       4.76            #peak 614 #SUP 0.73 #QF 0.73
 58 GLU  H      59 ILE  HA      5.30            #peak 618 #SUP 0.84 #QF 0.84
 58 GLU  H      58 GLU  HB2     4.20            #peak 620 #SUP 0.88 #QF 0.88
 54 ILE  QD1    58 GLU  H       4.39            #peak 621 #SUP 0.94 #QF 0.94
 44 ASP  H      46 LEU  H       4.60            #peak 622 #SUP 0.72 #QF 0.72
 43 VAL  H      44 ASP  H       3.59            #peak 623 #SUP 0.95 #QF 0.95
 44 ASP  H      45 PHE  H       3.54            #peak 624 #SUP 0.87 #QF 0.87
 44 ASP  H      44 ASP  HB2     3.07            #peak 631 #SUP 0.42 #QF 0.42
 43 VAL  HB     44 ASP  H       3.99            #peak 632 #SUP 0.91 #QF 0.91
 43 VAL  QG1    44 ASP  H       4.30            #peak 633 #SUP 0.73 #QF 0.73
 42 LEU  H      43 VAL  H       3.61            #peak 635 #SUP 0.90 #QF 0.90
 40 PHE  HA     43 VAL  H       4.08            #peak 638 #SUP 0.58 #QF 0.58
 43 VAL  H      44 ASP  HB2     5.21            #peak 641 #SUP 0.84 #QF 0.84
 42 LEU  HB3    43 VAL  H       4.11            #peak 642 #SUP 0.80 #QF 0.80
 42 LEU  HB2    43 VAL  H       4.11            #peak 644 #SUP 0.67 #QF 0.67
 43 VAL  H      43 VAL  QG2     3.77            #peak 645 #SUP 0.88 #QF 0.88
  5 LYS  H       6 LEU  H       4.14            #peak 647 #SUP 0.95 #QF 0.95
  6 LEU  H       6 LEU  HB3     4.08            #peak 649 #SUP 0.96 #QF 0.96
  6 LEU  H       6 LEU  HG      3.99            #peak 650 #SUP 0.96 #QF 0.96
  6 LEU  H       6 LEU  HB2     4.08            #peak 651 #SUP 0.97 #QF 0.36
  6 LEU  H       6 LEU  QD2     3.91            #peak 652 #SUP 0.86 #QF 0.86
 67 VAL  H      68 GLN  H       3.88            #peak 653 #SUP 0.98 #QF 0.98
 68 GLN  H      69 SER  H       3.70            #peak 655 #SUP 0.93 #QF 0.93
 68 GLN  H      71 VAL  H       4.98            #peak 656 #SUP 0.91 #QF 0.91
 68 GLN  H      70 MET  H       4.71            #peak 657 #SUP 0.98 #QF 0.98
 68 GLN  H      68 GLN  QB      2.97            #peak 660 #SUP 0.90 #QF 0.90
 67 VAL  QG1    68 GLN  H       4.09            #peak 661 #SUP 0.88 #QF 0.88
 23 ASP  HB2    24 SER  H       4.06            #peak 662 #SUP 0.97 #QF 0.97
 20 ASP  HA     21 GLY  H       3.56            #peak 668 #SUP 0.87 #QF 0.87
 56 MET  H      56 MET  HG3     4.52            #peak 672 #SUP 0.88 #QF 0.88
 20 ASP  QB     21 GLY  H       4.28            #peak 673 #SUP 0.95 #QF 0.95
 56 MET  H      56 MET  QB      3.26            #peak 674 #SUP 0.98 #QF 0.98
 69 SER  H      71 VAL  H       4.58            #peak 677 #SUP 0.75 #QF 0.57
 69 SER  H      72 ALA  H       5.21            #peak 677 #SUP 0.75 #QF 0.57
 69 SER  H      70 MET  H       3.57            #peak 678 #SUP 0.96 #QF 0.96
 69 SER  H      70 MET  HB3     5.04            #peak 681 #SUP 0.95 #QF 0.95
 68 GLN  QB     69 SER  H       3.51            #peak 682 #SUP 0.96 #QF 0.96
  9 HIS  H      10 ILE  H       4.06            #peak 684 #SUP 0.89 #QF 0.89
  9 HIS  QB     10 ILE  H       3.76            #peak 691 #SUP 0.86 #QF 0.86
 25 GLN  H      25 GLN  HB3     3.89            #peak 692 #SUP 0.99 #QF 0.98
 25 GLN  H      25 GLN  HG2     4.20            #peak 692 #SUP 0.99 #QF 0.98
 25 GLN  H      25 GLN  HB2     3.89            #peak 693 #SUP 0.96 #QF 0.96
 10 ILE  H      10 ILE  HG12    3.31            #peak 694 #SUP 0.94 #QF 0.94
 10 ILE  H      10 ILE  HG13    3.87            #peak 696 #SUP 0.93 #QF 0.93
 52 VAL  H      53 SER  H       4.75            #peak 698 #SUP 0.86 #QF 0.86
 50 SER  H      52 VAL  H       4.52            #peak 699 #SUP 0.91 #QF 0.91
 48 GLN  H      52 VAL  H       5.12            #peak 700 #SUP 0.50 #QF 0.50
 51 LYS  H      52 VAL  H       3.70            #peak 701 #SUP 0.93 #QF 0.93
 51 LYS  HA     52 VAL  H       3.27            #peak 704 #SUP 0.76 #QF 0.76
 52 VAL  H      52 VAL  HB      3.58            #peak 706 #SUP 0.87 #QF 0.87
 52 VAL  H      52 VAL  QG2     3.99            #peak 709 #SUP 0.55 #QF 0.55
 15 LEU  H      17 GLY  H       4.26            #peak 711 #SUP 0.58 #QF 0.58
 15 LEU  H      16 ASP  HA      4.45            #peak 715 #SUP 0.88 #QF 0.88
 11 ALA  HA     15 LEU  H       4.02            #peak 716 #SUP 0.89 #QF 0.89
 14 PHE  HB3    15 LEU  H       4.40            #peak 717 #SUP 0.53 #QF 0.53
 14 PHE  HB2    15 LEU  H       4.27            #peak 718 #SUP 0.93 #QF 0.93
 15 LEU  H      15 LEU  HB2     3.77            #peak 719 #SUP 0.57 #QF 0.57
 15 LEU  H      15 LEU  HG      3.94            #peak 720 #SUP 0.92 #QF 0.92
 15 LEU  H      15 LEU  QD2     3.69            #peak 722 #SUP 0.72 #QF 0.72
 65 ALA  H      66 THR  H       3.59            #peak 723 #SUP 0.50 #QF 0.50
 64 PHE  H      65 ALA  H       3.27            #peak 724 #SUP 0.78 #QF 0.78
 63 ASN  HA     65 ALA  H       4.54            #peak 727 #SUP 0.82 #QF 0.82
 64 PHE  HB2    65 ALA  H       4.75            #peak 730 #SUP 0.95 #QF 0.95
 64 PHE  HB3    65 ALA  H       4.59            #peak 731 #SUP 0.77 #QF 0.77
 65 ALA  H      65 ALA  QB      2.95            #peak 732 #SUP 0.97 #QF 0.97
  3 GLU  H       3 GLU  HB2     4.00            #peak 741 #SUP 0.92 #QF 0.80
  3 GLU  H       3 GLU  HB3     4.00            #peak 742 #SUP 0.96 #QF 0.96
  2 LEU  QB      3 GLU  H       4.05            #peak 743 #SUP 0.66 #QF 0.66
  2 LEU  QQD     3 GLU  H       4.04            #peak 744 #SUP 0.67 #QF 0.67
 47 ARG  H      48 GLN  H       3.50            #peak 746 #SUP 0.90 #QF 0.90
 48 GLN  H      49 GLU  H       3.41            #peak 748 #SUP 0.95 #QF 0.95
 31 LEU  H      32 ASN  H       3.45            #peak 752 #SUP 0.91 #QF 0.91
 29 PHE  HA     32 ASN  H       4.03            #peak 753 #SUP 0.71 #QF 0.71
 32 ASN  H      32 ASN  HA      2.84            #peak 755 #SUP 0.91 #QF 0.91
 32 ASN  H      32 ASN  HB2     4.15            #peak 759 #SUP 0.91 #QF 0.91
 27 PRO  HB2    32 ASN  H       5.25            #peak 761 #SUP 0.79 #QF 0.79
 48 GLN  H      48 GLN  HB3     2.78            #peak 762 #SUP 0.38 #QF 0.38
 31 LEU  HB3    32 ASN  H       4.20            #peak 763 #SUP 0.83 #QF 0.83
 48 GLN  H      49 GLU  HB2     4.78            #peak 765 #SUP 0.76 #QF 0.76
 31 LEU  QD2    32 ASN  H       4.50            #peak 767 #SUP 0.96 #QF 0.96
  3 GLU  H       4 SER  H       4.43            #peak 768 #SUP 0.98 #QF 0.98
  4 SER  H       5 LYS  H       4.14            #peak 769 #SUP 0.75 #QF 0.75
 64 PHE  H      66 THR  H       5.04            #peak 770 #SUP 0.87 #QF 0.87
 29 PHE  QE     64 PHE  H       5.31            #peak 772 #SUP 0.74 #QF 0.28
 64 PHE  H      64 PHE  QE      5.50            #peak 772 #SUP 0.74 #QF 0.28
 61 PRO  HA     64 PHE  H       4.00            #peak 777 #SUP 0.81 #QF 0.81
 64 PHE  H      64 PHE  HB3     3.81            #peak 780 #SUP 0.88 #QF 0.88
  3 GLU  HB2     4 SER  H       4.08            #peak 781 #SUP 0.78 #QF 0.78
  3 GLU  HB3     4 SER  H       4.08            #peak 783 #SUP 0.91 #QF 0.91
 40 PHE  H      40 PHE  HB3     3.47            #peak 791 #SUP 0.99 #QF 0.99
 39 ILE  HB     40 PHE  H       3.79            #peak 792 #SUP 0.99 #QF 0.99
 36 PNS  Q52    40 PHE  H       4.85            #peak 793 #SUP 0.95 #QF 0.88
 56 MET  QB     57 GLN  H       4.11            #peak 800 #SUP 0.98 #QF 0.79
 33 ILE  H      34 VAL  H       3.39            #peak 802 #SUP 0.86 #QF 0.86
 29 PHE  HA     33 ILE  H       4.92            #peak 803 #SUP 0.80 #QF 0.80
 33 ILE  H      33 ILE  HB      3.41            #peak 807 #SUP 0.85 #QF 0.85
 33 ILE  H      33 ILE  HG12    3.78            #peak 808 #SUP 0.68 #QF 0.68
 33 ILE  H      33 ILE  HG13    3.78            #peak 809 #SUP 0.88 #QF 0.88
 33 ILE  H      33 ILE  QG2     3.88            #peak 810 #SUP 0.55 #QF 0.55
 23 ASP  HB3    24 SER  H       4.06            #peak 815 #SUP 0.96 #QF 0.96
  7 ILE  QD1    24 SER  H       4.83            #peak 816 #SUP 0.92 #QF 0.92
 54 ILE  HA     55 GLY  H       2.99            #peak 818 #SUP 0.74 #QF 0.74
 29 PHE  H      31 LEU  H       4.78            #peak 827 #SUP 0.84 #QF 0.84
 31 LEU  H      33 ILE  H       4.18            #peak 828 #SUP 0.73 #QF 0.73
 28 LEU  HA     31 LEU  H       4.64            #peak 832 #SUP 0.92 #QF 0.92
 27 PRO  HB2    31 LEU  H       3.70            #peak 834 #SUP 0.30 #QF 0.30
 31 LEU  H      31 LEU  HG      3.21            #peak 835 #SUP 0.56 #QF 0.56
 31 LEU  H      31 LEU  QD2     3.57            #peak 836 #SUP 0.92 #QF 0.92
 32 ASN  HA     34 VAL  H       4.16            #peak 841 #SUP 0.60 #QF 0.60
 33 ILE  HB     34 VAL  H       3.73            #peak 844 #SUP 0.80 #QF 0.80
 34 VAL  H      34 VAL  HB      3.51            #peak 845 #SUP 0.91 #QF 0.91
 33 ILE  HG13   34 VAL  H       5.03            #peak 846 #SUP 0.78 #QF 0.78
 33 ILE  QG2    34 VAL  H       3.87            #peak 847 #SUP 0.63 #QF 0.63
 68 GLN  QB     68 GLN  HE21    4.50            #peak 864 #SUP 0.97 #QF 0.97
 18 GLU  H      18 GLU  HG2     3.35            #peak 870 #SUP 0.87 #QF 0.87
 39 ILE  H      39 ILE  QG2     3.77            #peak 871 #SUP 0.99 #QF 0.99
 66 THR  H      67 VAL  H       4.98            #peak 873 #SUP 1.00
 67 VAL  H      69 SER  H       5.41            #peak 874 #SUP 0.99 #QF 0.99
 28 LEU  H      67 VAL  H       5.50            #peak 875 #SUP 0.98 #QF 0.98
 67 VAL  H      70 MET  H       5.50            #peak 877 #SUP 0.77 #QF 0.77
 39 ILE  QG2    43 VAL  H       5.08            #peak 878 #SUP 0.99 #QF 0.99
 39 ILE  QG2    42 LEU  H       5.50            #peak 879 #SUP 0.98 #QF 0.98
 39 ILE  QG2    41 ASP  H       5.35            #peak 880 #SUP 0.96 #QF 0.96
 39 ILE  QG2    60 HIS  H       5.49            #peak 881 #SUP 0.97 #QF 0.97
 39 ILE  QG2    64 PHE  H       5.50            #peak 882 #SUP 0.65 #QF 0.65
 28 LEU  H      34 VAL  QG1     5.50            #peak 883 #SUP 0.98 #QF 0.98
 34 VAL  QG1    38 ALA  H       5.47            #peak 884 #SUP 0.91 #QF 0.91
 29 PHE  H      34 VAL  QG1     5.24            #peak 885 #SUP 0.98 #QF 0.98
 32 ASN  H      34 VAL  QG1     5.50            #peak 886 #SUP 0.94 #QF 0.94
 34 VAL  QG1    36 PNS  H       5.50            #peak 888 #SUP 0.97 #QF 0.97
 34 VAL  QG2    36 PNS  H       5.50            #peak 889 #SUP 0.95 #QF 0.94
 36 PNS  H      39 ILE  QD1     5.50            #peak 889 #SUP 0.95 #QF 0.94
 34 VAL  QG2    37 ALA  H       5.49            #peak 891 #SUP 0.68 #QF 0.68
 39 ILE  QD1    63 ASN  H       5.50            #peak 892 #SUP 0.94 #QF 0.94
 39 ILE  QD1    41 ASP  H       5.50            #peak 895 #SUP 0.64 #QF 0.54
 41 ASP  H      59 ILE  QG2     5.50            #peak 895 #SUP 0.64 #QF 0.54
  2 LEU  HG      3 GLU  H       5.50            #peak 6 #SUP 0.94 #QF 0.94
  4 SER  H       4 SER  QB      3.53            #peak 15 #SUP 1.00
 76 ARG  H      76 ARG  HG3     4.10            #peak 19 #SUP 0.90 #QF 0.90
  8 ASN  H      19 LYS  QD      4.49            #peak 22 #SUP 0.65 #QF 0.65
  5 LYS  H       5 LYS  HG3     4.84            #peak 26 #SUP 0.91 #QF 0.91
  5 LYS  HA      5 LYS  HG2     4.15            #peak 27 #SUP 0.99 #QF 0.99
  5 LYS  HA      5 LYS  HG3     4.15            #peak 28 #SUP 0.98 #QF 0.98
  5 LYS  HG2     5 LYS  QE      4.03            #peak 29 #SUP 1.00
  5 LYS  QE     45 PHE  QE      5.50            #peak 30 #SUP 0.93 #QF 0.69
  5 LYS  QE     45 PHE  HZ      5.50            #peak 30 #SUP 0.93 #QF 0.69
  6 LEU  HB3     7 ILE  H       4.47            #peak 34 #SUP 0.98 #QF 0.98
  6 LEU  H       6 LEU  QD1     4.37            #peak 38 #SUP 1.00
  7 ILE  H       7 ILE  QD1     3.88            #peak 47 #SUP 1.00
  7 ILE  HA      7 ILE  QG2     3.40            #peak 49 #SUP 1.00
 47 ARG  HA     52 VAL  H       3.95            #peak 55 #SUP 0.68 #QF 0.68
 10 ILE  H      10 ILE  HB      3.82            #peak 62 #SUP 0.82 #QF 0.82
 10 ILE  H      10 ILE  QD1     3.75            #peak 66 #SUP 0.96 #QF 0.96
 10 ILE  H      10 ILE  QG2     3.69            #peak 68 #SUP 0.71 #QF 0.71
 11 ALA  H      11 ALA  QB      3.03            #peak 70 #SUP 0.99 #QF 0.99
 12 THR  H      12 THR  QG2     3.90            #peak 73 #SUP 0.99 #QF 0.99
 13 GLN  H      13 GLN  HB3     3.90            #peak 75 #SUP 1.00
 13 GLN  H      13 GLN  HB2     3.89            #peak 76 #SUP 0.99 #QF 0.99
 52 VAL  H      52 VAL  QG1     3.99            #peak 91 #SUP 0.98 #QF 0.98
 15 LEU  HA     15 LEU  QD1     4.12            #peak 92 #SUP 1.00
 15 LEU  HA     15 LEU  QD2     3.15            #peak 93 #SUP 0.85 #QF 0.85
 18 GLU  H      18 GLU  HB2     3.79            #peak 103 #SUP 0.86 #QF 0.86
 18 GLU  HA     18 GLU  HG3     3.95            #peak 106 #SUP 0.96 #QF 0.68
 19 LYS  HB2    19 LYS  QE      4.08            #peak 109 #SUP 0.98 #QF 0.98
 19 LYS  H      19 LYS  HG3     4.14            #peak 111 #SUP 0.89 #QF 0.89
 19 LYS  H      19 LYS  HG2     4.05            #peak 112 #SUP 1.00
 18 GLU  HA     19 LYS  HG2     4.74            #peak 113 #SUP 0.71 #QF 0.71
 18 GLU  HA     19 LYS  HG3     4.25            #peak 114 #SUP 0.89 #QF 0.89
 49 GLU  H      49 GLU  HB3     3.90            #peak 115 #SUP 0.97 #QF 0.97
 41 ASP  HB2    42 LEU  H       4.15            #peak 119 #SUP 0.59 #QF 0.59
 20 ASP  HA     20 ASP  QB      3.02            #peak 124 #SUP 0.99 #QF 0.99
 22 LEU  H      22 LEU  HB3     3.79            #peak 130 #SUP 0.92 #QF 0.92
 22 LEU  HA     22 LEU  QD2     4.33            #peak 136 #SUP 0.78 #QF 0.78
 24 SER  HA     67 VAL  QG2     4.16            #peak 142 #SUP 0.99 #QF 0.79
 25 GLN  H      25 GLN  HG3     4.20            #peak 152 #SUP 0.99 #QF 0.99
 28 LEU  HA     28 LEU  QD1     4.10            #peak 172 #SUP 0.80 #QF 0.80
 29 PHE  H      29 PHE  HB2     3.78            #peak 177 #SUP 0.98 #QF 0.98
 30 GLU  HA     30 GLU  HG2     3.92            #peak 182 #SUP 0.99 #QF 0.99
 58 GLU  H      58 GLU  HB3     4.20            #peak 184 #SUP 1.00
 31 LEU  H      31 LEU  HB3     3.94            #peak 190 #SUP 1.00
 31 LEU  H      31 LEU  HB2     3.79            #peak 191 #SUP 1.00
 31 LEU  H      31 LEU  QD1     3.99            #peak 195 #SUP 0.99 #QF 0.99
 32 ASN  H      32 ASN  HB3     4.15            #peak 199 #SUP 1.00
 33 ILE  H      33 ILE  QD1     3.78            #peak 207 #SUP 0.99 #QF 0.99
 34 VAL  H      34 VAL  QG2     4.11            #peak 210 #SUP 0.98 #QF 0.98
 34 VAL  H      34 VAL  QG1     3.47            #peak 211 #SUP 0.98 #QF 0.98
 54 ILE  HA     54 ILE  QD1     3.89            #peak 220 #SUP 0.72 #QF 0.64
 36 PNS  HA     39 ILE  QD1     4.09            #peak 221 #SUP 0.62 #QF 0.62
 37 ALA  H      37 ALA  QB      2.78            #peak 223 #SUP 0.99 #QF 0.99
 40 PHE  H      40 PHE  HB2     3.47            #peak 233 #SUP 0.99 #QF 0.99
 42 LEU  H      42 LEU  HB3     4.03            #peak 239 #SUP 0.98 #QF 0.98
 42 LEU  H      42 LEU  HB2     4.03            #peak 242 #SUP 1.00
 42 LEU  H      42 LEU  HG      4.06            #peak 243 #SUP 0.97 #QF 0.97
 43 VAL  H      43 VAL  HB      3.82            #peak 245 #SUP 1.00
 43 VAL  H      43 VAL  QG1     3.77            #peak 247 #SUP 1.00
 44 ASP  H      44 ASP  HB3     3.78            #peak 253 #SUP 0.98 #QF 0.98
 44 ASP  HB2    45 PHE  H       4.06            #peak 254 #SUP 0.94 #QF 0.94
 45 PHE  H      45 PHE  HB3     3.79            #peak 259 #SUP 0.99 #QF 0.99
 46 LEU  H      46 LEU  HB2     3.91            #peak 263 #SUP 1.00
 46 LEU  H      46 LEU  QD1     4.12            #peak 264 #SUP 1.00
 47 ARG  H      47 ARG  HB3     3.79            #peak 267 #SUP 0.99 #QF 0.99
 47 ARG  H      47 ARG  HG3     4.17            #peak 271 #SUP 0.99 #QF 0.99
 47 ARG  H      47 ARG  HD3     4.90            #peak 272 #SUP 0.94 #QF 0.94
 47 ARG  H      47 ARG  HD2     4.90            #peak 273 #SUP 0.95 #QF 0.95
 48 GLN  H      48 GLN  HB2     3.50            #peak 276 #SUP 0.96 #QF 0.96
 48 GLN  H      48 GLN  HG2     4.73            #peak 277 #SUP 0.90 #QF 0.90
 48 GLN  H      48 GLN  HG3     4.73            #peak 278 #SUP 0.99 #QF 0.99
 50 SER  H      50 SER  HB3     4.08            #peak 283 #SUP 0.95 #QF 0.95
 50 SER  H      50 SER  HB2     4.08            #peak 284 #SUP 0.99 #QF 0.99
 51 LYS  H      51 LYS  HD2     4.59            #peak 288 #SUP 1.00
 51 LYS  H      51 LYS  HG3     4.39            #peak 291 #SUP 0.94 #QF 0.94
 51 LYS  HA     51 LYS  QE      4.46            #peak 293 #SUP 0.95 #QF 0.95
 53 SER  H      53 SER  HB3     3.76            #peak 300 #SUP 0.95 #QF 0.95
 53 SER  H      53 SER  HB2     3.76            #peak 301 #SUP 0.97 #QF 0.97
 88 LEU  H      88 LEU  HG      4.55            #peak 303 #SUP 0.93 #QF 0.93
 54 ILE  HG13   55 GLY  H       5.12            #peak 304 #SUP 1.00
 54 ILE  HA     54 ILE  HG13    4.09            #peak 305 #SUP 0.91 #QF 0.91
 54 ILE  HA     54 ILE  HG12    4.09            #peak 306 #SUP 0.95 #QF 0.95
 54 ILE  H      54 ILE  QD1     4.92            #peak 307 #SUP 0.93 #QF 0.93
 54 ILE  H      54 ILE  QG2     4.98            #peak 309 #SUP 0.85 #QF 0.85
 54 ILE  HA     54 ILE  QG2     3.26            #peak 310 #SUP 0.98 #QF 0.98
 56 MET  H      56 MET  HG2     4.52            #peak 315 #SUP 0.96 #QF 0.96
 57 GLN  H      57 GLN  HG2     5.50            #peak 321 #SUP 0.99 #QF 0.99
 57 GLN  H      57 GLN  HG3     5.50            #peak 322 #SUP 0.97 #QF 0.97
 45 PHE  HA     48 GLN  H       4.38            #peak 323 #SUP 0.54 #QF 0.54
 66 THR  H      70 MET  HB3     3.95            #peak 326 #SUP 0.32 #QF 0.32
 59 ILE  HA     59 ILE  HG13    4.16            #peak 332 #SUP 0.98 #QF 0.98
 59 ILE  H      59 ILE  HG13    4.25            #peak 334 #SUP 0.99 #QF 0.99
 59 ILE  H      59 ILE  HG12    4.25            #peak 335 #SUP 0.99 #QF 0.99
 59 ILE  QG2    60 HIS  H       3.63            #peak 337 #SUP 0.52 #QF 0.52
 59 ILE  H      59 ILE  QD1     3.93            #peak 339 #SUP 0.86 #QF 0.86
 59 ILE  HA     59 ILE  QG2     3.30            #peak 340 #SUP 0.94 #QF 0.94
 60 HIS  QB     63 ASN  H       4.71            #peak 343 #SUP 0.97 #QF 0.87
 80 HIS  HA     81 PRO  HD2     3.26            #peak 352 #SUP 0.86 #QF 0.86
 63 ASN  H      63 ASN  HB2     3.86            #peak 353 #SUP 0.98 #QF 0.98
 64 PHE  H      64 PHE  HB2     3.84            #peak 357 #SUP 0.94 #QF 0.86
 64 PHE  HA     70 MET  H       4.46            #peak 362 #SUP 0.86 #QF 0.86
 66 THR  HA     66 THR  QG2     3.57            #peak 367 #SUP 0.90 #QF 0.90
 67 VAL  H      67 VAL  QG1     4.52            #peak 378 #SUP 0.93 #QF 0.93
 67 VAL  H      67 VAL  QG2     4.52            #peak 379 #SUP 0.99 #QF 0.99
 68 GLN  H      68 GLN  HG3     4.72            #peak 383 #SUP 1.00
 68 GLN  H      68 GLN  HG2     4.72            #peak 384 #SUP 0.95 #QF 0.95
 69 SER  H      69 SER  HB3     3.94            #peak 386 #SUP 0.92 #QF 0.92
 69 SER  H      69 SER  HB2     3.94            #peak 387 #SUP 0.99 #QF 0.99
 66 THR  H      69 SER  HB2     4.05            #peak 388 #SUP 0.86 #QF 0.86
 66 THR  H      69 SER  HB3     4.05            #peak 389 #SUP 0.66 #QF 0.66
 69 SER  HA     72 ALA  QB      3.33            #peak 390 #SUP 0.54 #QF 0.54
 70 MET  HA     73 LEU  H       3.83            #peak 393 #SUP 0.89 #QF 0.89
 64 PHE  HA     70 MET  HB2     4.03            #peak 397 #SUP 0.99 #QF 0.99
 67 VAL  HA     70 MET  HG2     4.02            #peak 399 #SUP 1.00 #QF 0.95
 64 PHE  HA     70 MET  HB3     4.05            #peak 400 #SUP 0.99 #QF 0.99
 67 VAL  HA     70 MET  HG3     4.02            #peak 401 #SUP 1.00 #QF 0.89
 71 VAL  H      71 VAL  QG1     4.30            #peak 408 #SUP 1.00
 72 ALA  HA     75 GLN  H       3.85            #peak 409 #SUP 0.97 #QF 0.96
 72 ALA  H      72 ALA  QB      2.73            #peak 410 #SUP 0.93 #QF 0.93
 73 LEU  H      73 LEU  HB2     3.58            #peak 411 #SUP 0.98 #QF 0.98
 73 LEU  H      73 LEU  HG      3.87            #peak 413 #SUP 0.99 #QF 0.99
 73 LEU  H      73 LEU  QD1     4.56            #peak 414 #SUP 0.98 #QF 0.98
 73 LEU  H      73 LEU  QD2     3.81            #peak 415 #SUP 1.00
 43 VAL  QG2    44 ASP  H       4.30            #peak 416 #SUP 0.99 #QF 0.99
 74 VAL  H      74 VAL  QG1     4.01            #peak 419 #SUP 0.85 #QF 0.85
 74 VAL  H      74 VAL  QG2     4.01            #peak 420 #SUP 0.96 #QF 0.96
 75 GLN  H      75 GLN  HB2     3.41            #peak 423 #SUP 0.98 #QF 0.98
 75 GLN  HB2    76 ARG  H       3.87            #peak 424 #SUP 0.98 #QF 0.98
 75 GLN  HB3    76 ARG  H       4.09            #peak 425 #SUP 1.00
 75 GLN  H      75 GLN  HG2     3.67            #peak 427 #SUP 0.99 #QF 0.99
 75 GLN  H      75 GLN  HG3     3.67            #peak 428 #SUP 0.99 #QF 0.23
 77 LEU  H      77 LEU  HB2     3.76            #peak 434 #SUP 0.97 #QF 0.97
 74 VAL  HA     77 LEU  HB2     5.04            #peak 435 #SUP 0.99 #QF 0.99
 78 LYS  H      78 LYS  HB3     3.76            #peak 439 #SUP 0.95 #QF 0.95
 73 LEU  HG     74 VAL  HA      4.97            #peak 441 #SUP 0.98 #QF 0.98
 77 LEU  H      77 LEU  QD1     3.58            #peak 443 #SUP 0.95 #QF 0.95
 78 LYS  H      78 LYS  QD      4.30            #peak 447 #SUP 1.00
 78 LYS  HA     78 LYS  QD      3.41            #peak 448 #SUP 0.87 #QF 0.87
 79 ALA  H      79 ALA  QB      2.94            #peak 451 #SUP 0.99 #QF 0.99
 80 HIS  HA     81 PRO  HD3     3.26            #peak 464 #SUP 0.94 #QF 0.94
 82 GLU  H      82 GLU  HG3     5.42            #peak 468 #SUP 1.00
 82 GLU  H      82 GLU  HG2     5.42            #peak 469 #SUP 1.00
 83 GLN  HA     83 GLN  QG      3.37            #peak 471 #SUP 0.97 #QF 0.97
 83 GLN  H      84 GLY  QA      4.94            #peak 476 #SUP 0.62 #QF 0.62
 88 LEU  HA     88 LEU  HG      3.75            #peak 484 #SUP 0.94 #QF 0.94
 88 LEU  HA     88 LEU  QD2     4.07            #peak 487 #SUP 0.85 #QF 0.85
 36 PNS  H282   36 PNS  Q52     4.04            #peak 488 #SUP 1.00
 88 LEU  HA     88 LEU  QD1     4.07            #peak 489 #SUP 0.94 #QF 0.94
 42 LEU  HA     42 LEU  QD1     4.10            #peak 495 #SUP 0.96 #QF 0.96
 70 MET  HB2    70 MET  QE      3.27            #peak 503 #SUP 0.83 #QF 0.83
 56 MET  HA     56 MET  QE      3.95            #peak 504 #SUP 0.88 #QF 0.88
 36 PNS  Q52    56 MET  QE      3.47            #peak 505 #SUP 0.59 #QF 0.59
 40 PHE  QD     56 MET  QE      4.05            #peak 506 #SUP 0.85 #QF 0.85
 56 MET  HA     56 MET  QB      2.94            #peak 508 #SUP 0.99 #QF 0.99
 36 PNS  Q43    56 MET  QE      3.72            #peak 509 #SUP 0.71 #QF 0.71
 67 VAL  HA     70 MET  QE      3.13            #peak 510 #SUP 0.89 #QF 0.89
 36 PNS  H282   36 PNS  Q51     3.65            #peak 518 #SUP 1.00
 36 PNS  Q51    36 PNS  H32     3.57            #peak 523 #SUP 1.00 #QF 0.65
 36 PNS  Q52    36 PNS  H32     4.04            #peak 523 #SUP 1.00 #QF 0.65
 36 PNS  H283   36 PNS  Q51     3.65            #peak 525 #SUP 0.99 #QF 0.89
 36 PNS  H283   36 PNS  Q52     4.04            #peak 525 #SUP 0.99 #QF 0.89
 36 PNS  Q37    36 PNS  Q38     2.66            #peak 529 #SUP 1.00
 36 PNS  Q52    36 PNS  Q42     5.07            #peak 532 #SUP 0.74 #QF 0.74
 36 PNS  Q43    59 ILE  QG2     5.39            #peak 533 #SUP 0.54 #QF 0.54
 56 MET  HA     56 MET  HG3     4.02            #peak 536 #SUP 1.00
 29 PHE  HA     31 LEU  H       4.31            #peak 538 #SUP 0.72 #QF 0.72
 53 SER  HA     54 ILE  QG2     4.07            #peak 556 #SUP 0.45 #QF 0.45
 47 ARG  HG2    53 SER  HA      5.20            #peak 560 #SUP 0.91 #QF 0.48
 52 VAL  HA     52 VAL  QG1     3.50            #peak 567 #SUP 0.95 #QF 0.95
 19 LYS  HA     19 LYS  HG2     3.33            #peak 595 #SUP 0.96 #QF 0.96
 57 GLN  HA     57 GLN  QB      2.68            #peak 598 #SUP 0.80 #QF 0.80
 42 LEU  HA     42 LEU  QD2     4.10            #peak 599 #SUP 0.98 #QF 0.85
  4 SER  HA      7 ILE  HB      3.53            #peak 605 #SUP 0.94 #QF 0.94
  4 SER  HA      7 ILE  QG2     4.24            #peak 606 #SUP 0.35 #QF 0.35
 76 ARG  HA     76 ARG  QB      2.87            #peak 607 #SUP 0.94 #QF 0.94
 26 THR  HA     27 PRO  HD3     3.17            #peak 612 #SUP 0.87 #QF 0.87
 26 THR  HA     27 PRO  HG3     5.28            #peak 613 #SUP 1.00 #QF 0.72
 26 THR  HA     27 PRO  HG2     4.43            #peak 614 #SUP 0.81 #QF 0.81
 26 THR  HA     31 LEU  QD1     4.38            #peak 615 #SUP 0.74 #QF 0.74
 30 GLU  HA     30 GLU  HG3     3.92            #peak 621 #SUP 0.70 #QF 0.70
 72 ALA  HA     75 GLN  HB2     3.52            #peak 628 #SUP 0.56 #QF 0.56
 71 VAL  QG1    72 ALA  HA      4.55            #peak 630 #SUP 0.89 #QF 0.84
 71 VAL  QG2    72 ALA  HA      4.55            #peak 630 #SUP 0.89 #QF 0.84
 26 THR  QG2    27 PRO  HD2     3.69            #peak 635 #SUP 0.90 #QF 0.90
 27 PRO  HD2    31 LEU  QD1     4.10            #peak 636 #SUP 0.96 #QF 0.58
 78 LYS  HA     78 LYS  HB2     3.01            #peak 637 #SUP 0.94 #QF 0.94
 78 LYS  HA     78 LYS  HG2     3.49            #peak 638 #SUP 0.79 #QF 0.79
 45 PHE  HA     48 GLN  HB2     4.09            #peak 646 #SUP 0.64 #QF 0.64
 36 PNS  QB     36 PNS  Q52     5.00            #peak 648 #SUP 0.79 #QF 0.79
 36 PNS  QB     37 ALA  H       3.87            #peak 649 #SUP 0.98 #QF 0.98
 36 PNS  QB     61 PRO  HD3     4.13            #peak 650 #SUP 0.90 #QF 0.90
 51 LYS  HA     51 LYS  HG2     4.00            #peak 654 #SUP 0.53 #QF 0.53
  6 LEU  HA      6 LEU  HG      3.72            #peak 666 #SUP 0.81 #QF 0.81
 26 THR  HB     27 PRO  HD2     4.21            #peak 676 #SUP 0.78 #QF 0.78
 26 THR  HB     31 LEU  QD1     4.94            #peak 679 #SUP 0.70 #QF 0.31
 11 ALA  HA     15 LEU  HB2     3.54            #peak 680 #SUP 0.81 #QF 0.81
 11 ALA  HA     15 LEU  QD1     3.21            #peak 682 #SUP 0.99 #QF 0.99
 75 GLN  HA     78 LYS  HG3     4.10            #peak 688 #SUP 0.63 #QF 0.63
 75 GLN  HA     78 LYS  HB3     4.01            #peak 690 #SUP 0.86 #QF 0.86
 33 ILE  QG2    34 VAL  HA      4.09            #peak 704 #SUP 0.94 #QF 0.94
 33 ILE  HA     33 ILE  HG13    3.83            #peak 706 #SUP 0.96 #QF 0.96
 67 VAL  HA     67 VAL  QG2     3.34            #peak 715 #SUP 0.87 #QF 0.87
 28 LEU  HA     28 LEU  QD2     4.10            #peak 724 #SUP 0.97 #QF 0.97
 27 PRO  HD3    31 LEU  QD1     4.55            #peak 729 #SUP 0.92 #QF 0.92
  3 GLU  HA      3 GLU  HG3     4.12            #peak 741 #SUP 0.97 #QF 0.93
  3 GLU  HA      6 LEU  QD2     3.17            #peak 743 #SUP 0.54 #QF 0.54
 12 THR  HA     17 GLY  HA2     3.72            #peak 745 #SUP 0.90 #QF 0.90
 43 VAL  HA     46 LEU  HG      3.78            #peak 748 #SUP 0.85 #QF 0.85
 71 VAL  HA     74 VAL  H       4.11            #peak 765 #SUP 0.21 #QF 0.21
 71 VAL  HA     71 VAL  QG1     3.10            #peak 767 #SUP 0.89 #QF 0.84
 71 VAL  HA     71 VAL  QG2     3.10            #peak 767 #SUP 0.89 #QF 0.84
 14 PHE  HB3    15 LEU  QD1     3.97            #peak 772 #SUP 0.59 #QF 0.59
 10 ILE  QD1    14 PHE  HB3     3.99            #peak 773 #SUP 0.71 #QF 0.71
 74 VAL  HA     77 LEU  H       3.99            #peak 776 #SUP 0.50 #QF 0.50
 74 VAL  HA     77 LEU  QD1     3.14            #peak 781 #SUP 0.72 #QF 0.72
 39 ILE  HA     42 LEU  HB3     4.27            #peak 782 #SUP 0.88 #QF 0.88
 39 ILE  HA     39 ILE  QD1     3.94            #peak 785 #SUP 0.66 #QF 0.66
 44 ASP  HA     47 ARG  HD3     3.91            #peak 787 #SUP 0.84 #QF 0.84
 76 ARG  QB     76 ARG  HD2     3.85            #peak 788 #SUP 0.58 #QF 0.29
 44 ASP  HA     47 ARG  HD2     3.91            #peak 794 #SUP 0.88 #QF 0.88
 76 ARG  QB     76 ARG  HD3     3.85            #peak 796 #SUP 0.65 #QF 0.65
 41 ASP  HB3    42 LEU  H       4.15            #peak 800 #SUP 0.96 #QF 0.96
 45 PHE  HB3    46 LEU  H       4.12            #peak 813 #SUP 0.98 #QF 0.98
 75 GLN  HA     78 LYS  QE      4.72            #peak 827 #SUP 0.58 #QF 0.58
 19 LYS  QD     19 LYS  QE      2.66            #peak 829 #SUP 0.98 #QF 0.65
 78 LYS  QD     78 LYS  QE      2.66            #peak 829 #SUP 0.98 #QF 0.65
 19 LYS  HG3    19 LYS  QE      3.01            #peak 830 #SUP 0.73 #QF 0.73
 13 GLN  H      14 PHE  HB2     4.42            #peak 840 #SUP 0.92 #QF 0.64
 44 ASP  HB3    45 PHE  H       4.62            #peak 840 #SUP 0.92 #QF 0.64
 56 MET  HA     56 MET  HG2     4.02            #peak 844 #SUP 0.94 #QF 0.94
 48 GLN  HA     48 GLN  HG2     3.40            #peak 872 #SUP 0.57 #QF 0.57
 80 HIS  HB3    83 GLN  QG      4.89            #peak 877 #SUP 0.86 #QF 0.86
 63 ASN  HB2    73 LEU  QD1     4.17            #peak 884 #SUP 0.90 #QF 0.90
 25 GLN  HA     25 GLN  HG2     3.50            #peak 887 #SUP 0.92 #QF 0.92
 18 GLU  HG3    20 ASP  QB      3.94            #peak 890 #SUP 0.60 #QF 0.60
 27 PRO  HG3    31 LEU  QD2     3.94            #peak 897 #SUP 0.73 #QF 0.73
 73 LEU  HB2    73 LEU  QD1     3.79            #peak 902 #SUP 0.84 #QF 0.84
  3 GLU  HA      3 GLU  HG2     4.12            #peak 906 #SUP 0.86 #QF 0.86
  3 GLU  HG2     6 LEU  QD2     4.45            #peak 907 #SUP 0.56 #QF 0.56
 46 LEU  H      46 LEU  HG      4.01            #peak 916 #SUP 0.99 #QF 0.99
  3 GLU  HG3     6 LEU  QD2     4.45            #peak 925 #SUP 0.62 #QF 0.62
 18 GLU  HB2    20 ASP  QB      4.33            #peak 929 #SUP 0.30 #QF 0.30
  6 LEU  HB3     6 LEU  QD2     3.31            #peak 933 #SUP 0.90 #QF 0.90
 68 GLN  HA     68 GLN  QB      2.82            #peak 941 #SUP 0.78 #QF 0.78
 56 MET  HA     59 ILE  HB      4.13            #peak 942 #SUP 0.99 #QF 0.99
 36 PNS  Q51    59 ILE  HB      3.36            #peak 944 #SUP 0.28 #QF 0.28
 48 GLN  HB3    49 GLU  H       3.85            #peak 950 #SUP 0.67 #QF 0.67
 70 MET  H      70 MET  QE      3.85            #peak 952 #SUP 0.99 #QF 0.99
 64 PHE  HA     70 MET  QE      3.58            #peak 954 #SUP 0.94 #QF 0.94
 24 SER  HA     70 MET  QE      4.73            #peak 955 #SUP 0.43 #QF 0.43
 64 PHE  HB2    70 MET  QE      4.41            #peak 956 #SUP 0.96 #QF 0.96
 64 PHE  HB3    70 MET  QE      3.32            #peak 957 #SUP 0.83 #QF 0.83
 52 VAL  HB     53 SER  H       4.09            #peak 963 #SUP 0.92 #QF 0.92
 15 LEU  HB2    15 LEU  QD1     3.39            #peak 977 #SUP 1.00
 19 LYS  HB2    20 ASP  H       4.63            #peak 1005 #SUP 0.99 #QF 0.99
 31 LEU  HA     31 LEU  HG      3.69            #peak 1011 #SUP 1.00
 27 PRO  HG3    31 LEU  HG      3.82            #peak 1013 #SUP 0.79 #QF 0.79
 33 ILE  HB     34 VAL  HA      4.51            #peak 1019 #SUP 0.60 #QF 0.60
 33 ILE  HB     34 VAL  HB      3.96            #peak 1021 #SUP 0.97 #QF 0.97
 33 ILE  HB     33 ILE  QD1     3.28            #peak 1023 #SUP 0.94 #QF 0.94
 36 PNS  QB     61 PRO  HG3     3.43            #peak 1031 #SUP 0.54 #QF 0.54
 19 LYS  HA     19 LYS  QD      3.66            #peak 1039 #SUP 0.76 #QF 0.76
  7 ILE  HB     19 LYS  QD      3.88            #peak 1040 #SUP 0.64 #QF 0.64
 19 LYS  HG3    19 LYS  QD      2.74            #peak 1041 #SUP 0.96 #QF 0.96
 65 ALA  QB     66 THR  H       3.55            #peak 1042 #SUP 0.97 #QF 0.97
 64 PHE  H      65 ALA  QB      4.26            #peak 1043 #SUP 0.99 #QF 0.99
 29 PHE  QE     65 ALA  QB      4.10            #peak 1044 #SUP 0.97 #QF 0.97
 62 ALA  HA     65 ALA  QB      3.28            #peak 1045 #SUP 0.37 #QF 0.37
 65 ALA  QB     66 THR  QG2     3.49            #peak 1049 #SUP 0.59 #QF 0.59
 10 ILE  HB     13 GLN  HG2     4.42            #peak 1055 #SUP 0.57 #QF 0.57
  2 LEU  QQD    49 GLU  HB3     4.02            #peak 1060 #SUP 0.95 #QF 0.95
  5 LYS  HG3     5 LYS  QE      4.03            #peak 1063 #SUP 1.00
 62 ALA  QB     63 ASN  H       3.30            #peak 1067 #SUP 0.59 #QF 0.59
 36 PNS  QB     37 ALA  QB      4.80            #peak 1070 #SUP 0.89 #QF 0.89
  6 LEU  HB2     6 LEU  QD2     3.31            #peak 1075 #SUP 0.77 #QF 0.77
 36 PNS  QB     39 ILE  HB      5.14            #peak 1079 #SUP 0.82 #QF 0.52
 39 ILE  HB     40 PHE  HA      5.48            #peak 1079 #SUP 0.82 #QF 0.52
 39 ILE  HB     59 ILE  QG2     4.14            #peak 1085 #SUP 0.90 #QF 0.75
 72 ALA  QB     76 ARG  H       4.79            #peak 1087 #SUP 0.78 #QF 0.78
 72 ALA  QB     73 LEU  H       3.22            #peak 1088 #SUP 0.69 #QF 0.69
 34 VAL  HB     35 ASP  H       4.20            #peak 1095 #SUP 0.99 #QF 0.99
 78 LYS  HG2    78 LYS  QE      3.96            #peak 1101 #SUP 0.94 #QF 0.94
 22 LEU  HB2    22 LEU  QD1     3.77            #peak 1111 #SUP 0.97 #QF 0.70
 22 LEU  HB2    22 LEU  QD2     3.77            #peak 1111 #SUP 0.97 #QF 0.70
 10 ILE  HG12   38 ALA  QB      3.99            #peak 1114 #SUP 0.61 #QF 0.61
 78 LYS  HB2    79 ALA  QB      4.25            #peak 1115 #SUP 0.86 #QF 0.86
 14 PHE  QE     38 ALA  QB      3.63            #peak 1118 #SUP 0.74 #QF 0.74
 34 VAL  QG2    38 ALA  QB      3.48            #peak 1124 #SUP 0.67 #QF 0.67
 73 LEU  HA     73 LEU  HG      3.94            #peak 1130 #SUP 0.91 #QF 0.91
 73 LEU  HB3    73 LEU  QD1     3.79            #peak 1140 #SUP 0.91 #QF 0.91
 51 LYS  HA     51 LYS  HG3     4.00            #peak 1141 #SUP 0.75 #QF 0.75
 51 LYS  HG3    51 LYS  QE      3.92            #peak 1142 #SUP 0.99 #QF 0.91
 46 LEU  HB3    46 LEU  QD1     3.22            #peak 1148 #SUP 0.80 #QF 0.80
  2 LEU  QQD    49 GLU  HB2     4.55            #peak 1152 #SUP 0.96 #QF 0.94
 51 LYS  HG2    51 LYS  QE      3.92            #peak 1153 #SUP 0.99 #QF 0.99
 11 ALA  QB     13 GLN  H       4.87            #peak 1157 #SUP 0.80 #QF 0.80
 11 ALA  QB     12 THR  H       3.51            #peak 1158 #SUP 0.94 #QF 0.94
 11 ALA  QB     22 LEU  HB3     4.12            #peak 1161 #SUP 0.45 #QF 0.45
 11 ALA  QB     15 LEU  QD1     3.08            #peak 1162 #SUP 0.70 #QF 0.70
 10 ILE  QG2    13 GLN  HG3     4.19            #peak 1167 #SUP 0.88 #QF 0.88
 26 THR  HA     26 THR  QG2     3.15            #peak 1169 #SUP 0.89 #QF 0.89
 26 THR  QG2    27 PRO  HD3     3.28            #peak 1171 #SUP 0.91 #QF 0.91
 26 THR  QG2    27 PRO  HG3     4.11            #peak 1172 #SUP 0.90 #QF 0.90
 26 THR  QG2    31 LEU  HG      3.73            #peak 1173 #SUP 0.77 #QF 0.77
 12 THR  HA     12 THR  QG2     3.09            #peak 1182 #SUP 0.82 #QF 0.82
 12 THR  QG2    17 GLY  HA2     4.09            #peak 1183 #SUP 0.88 #QF 0.88
  6 LEU  HA      6 LEU  QD1     3.90            #peak 1191 #SUP 0.98 #QF 0.98
  6 LEU  HB3     6 LEU  QD1     3.25            #peak 1193 #SUP 1.00
  6 LEU  HB2     6 LEU  QD1     3.25            #peak 1195 #SUP 0.96 #QF 0.96
 74 VAL  QG2    75 GLN  H       4.12            #peak 1199 #SUP 1.00
 24 SER  HA     67 VAL  QG1     4.16            #peak 1202 #SUP 0.92 #QF 0.92
 67 VAL  HA     67 VAL  QG1     3.34            #peak 1203 #SUP 0.97 #QF 0.97
 67 VAL  QG2    68 GLN  H       4.09            #peak 1211 #SUP 0.99 #QF 0.99
 28 LEU  HB3    28 LEU  QD1     3.81            #peak 1220 #SUP 0.99 #QF 0.59
 28 LEU  HB3    28 LEU  QD2     3.81            #peak 1220 #SUP 0.99 #QF 0.59
  6 LEU  HA      6 LEU  QD2     4.29            #peak 1222 #SUP 0.73 #QF 0.73
 10 ILE  QG2    10 ILE  HG13    3.28            #peak 1228 #SUP 0.58 #QF 0.58
 10 ILE  HA     10 ILE  HG13    4.06            #peak 1229 #SUP 1.00
 46 LEU  HA     46 LEU  QD2     4.34            #peak 1233 #SUP 0.95 #QF 0.95
 46 LEU  HB3    46 LEU  QD2     3.22            #peak 1235 #SUP 0.83 #QF 0.83
 34 VAL  QG1    42 LEU  QD2     4.95            #peak 1246 #SUP 0.40 #QF 0.40
 74 VAL  QG1    75 GLN  H       4.12            #peak 1265 #SUP 0.99 #QF 0.99
 46 LEU  HA     46 LEU  QD1     4.34            #peak 1276 #SUP 0.99 #QF 0.93
 31 LEU  HA     31 LEU  QD2     2.67            #peak 1285 #SUP 0.93 #QF 0.93
 31 LEU  HB3    31 LEU  QD2     2.93            #peak 1288 #SUP 1.00 #QF 0.82
 54 ILE  QG2    55 GLY  H       4.04            #peak 1290 #SUP 0.99 #QF 0.99
 31 LEU  HA     31 LEU  QD1     4.00            #peak 1296 #SUP 0.94 #QF 0.94
 27 PRO  HG2    31 LEU  QD1     3.32            #peak 1300 #SUP 0.83 #QF 0.83
 31 LEU  HB3    31 LEU  QD1     3.00            #peak 1301 #SUP 0.98 #QF 0.84
  7 ILE  QG2    19 LYS  HA      4.04            #peak 1310 #SUP 0.58 #QF 0.58
  7 ILE  QG2    19 LYS  QE      4.99            #peak 1311 #SUP 0.57 #QF 0.57
  7 ILE  QG2    22 LEU  HB3     3.30            #peak 1313 #SUP 0.60 #QF 0.60
  7 ILE  QG2    22 LEU  HB2     4.39            #peak 1314 #SUP 0.41 #QF 0.41
 52 VAL  QG1    78 LYS  QE      4.39            #peak 1319 #SUP 0.63 #QF 0.63
 54 ILE  QD1    55 GLY  H       3.98            #peak 1321 #SUP 0.55 #QF 0.55
 43 VAL  HA     54 ILE  QD1     4.90            #peak 1323 #SUP 0.78 #QF 0.78
 77 LEU  HA     77 LEU  QD2     4.09            #peak 1328 #SUP 1.00
 74 VAL  HA     77 LEU  QD2     3.84            #peak 1329 #SUP 0.96 #QF 0.96
 36 PNS  Q52    36 PNS  Q43     4.35            #peak 1333 #SUP 0.96 #QF 0.60
 40 PHE  QD     59 ILE  QD1     4.24            #peak 1354 #SUP 0.22 #QF 0.22
 56 MET  HA     59 ILE  QD1     3.12            #peak 1355 #SUP 0.87 #QF 0.87
 59 ILE  HA     59 ILE  QD1     3.85            #peak 1356 #SUP 0.79 #QF 0.79
 59 ILE  HB     59 ILE  QD1     2.99            #peak 1357 #SUP 0.81 #QF 0.81
 59 ILE  QG2    59 ILE  QD1     2.84            #peak 1359 #SUP 0.88 #QF 0.88
 39 ILE  QG2    59 ILE  QD1     4.10            #peak 1360 #SUP 0.90 #QF 0.90
  7 ILE  QD1    23 ASP  HA      3.39            #peak 1361 #SUP 0.75 #QF 0.75
  7 ILE  HA      7 ILE  QD1     3.97            #peak 1362 #SUP 0.97 #QF 0.97
  7 ILE  QD1    23 ASP  HB3     4.61            #peak 1363 #SUP 0.92 #QF 0.92
 52 VAL  HA     52 VAL  QG2     3.50            #peak 1370 #SUP 0.94 #QF 0.94
 10 ILE  HB     10 ILE  QD1     3.02            #peak 1383 #SUP 0.98 #QF 0.75
 28 LEU  H      28 LEU  QD2     3.73            #peak 1385 #SUP 0.97 #QF 0.97
 28 LEU  HB2    28 LEU  QD2     3.33            #peak 1389 #SUP 0.90 #QF 0.90
 59 ILE  QG2    59 ILE  HG12    3.83            #peak 1393 #SUP 0.49 #QF 0.49
 28 LEU  HB2    28 LEU  QD1     3.33            #peak 1394 #SUP 0.85 #QF 0.85
 28 LEU  QD1    34 VAL  QG1     3.96            #peak 1397 #SUP 0.88 #QF 0.88
 33 ILE  QG2    34 VAL  HB      3.85            #peak 1402 #SUP 0.94 #QF 0.94
 33 ILE  QG2    34 VAL  QG1     4.44            #peak 1406 #SUP 0.85 #QF 0.85
 73 LEU  HA     73 LEU  QD1     3.90            #peak 1407 #SUP 0.99 #QF 0.99
 70 MET  HA     73 LEU  QD1     4.84            #peak 1408 #SUP 0.98 #QF 0.98
 39 ILE  QG2    39 ILE  HG13    3.92            #peak 1421 #SUP 0.99 #QF 0.99
 59 ILE  QG2    59 ILE  HG13    3.83            #peak 1424 #SUP 1.00
 36 PNS  Q51    59 ILE  QG2     2.88            #peak 1425 #SUP 0.97 #QF 0.31
 39 ILE  QG2    59 ILE  QG2     3.40            #peak 1427 #SUP 0.83 #QF 0.83
 39 ILE  QD1    64 PHE  H       4.05            #peak 1428 #SUP 0.82 #QF 0.82
 39 ILE  QD1    61 PRO  HA      3.28            #peak 1429 #SUP 0.97 #QF 0.97
 39 ILE  QD1    64 PHE  HB3     4.04            #peak 1431 #SUP 0.97 #QF 0.97
 39 ILE  HB     39 ILE  QD1     3.35            #peak 1432 #SUP 0.99 #QF 0.99
 39 ILE  QG2    39 ILE  QD1     3.15            #peak 1436 #SUP 0.90 #QF 0.90
 34 VAL  QG2    35 ASP  H       3.78            #peak 1438 #SUP 0.93 #QF 0.93
 14 PHE  QE     34 VAL  QG2     3.99            #peak 1439 #SUP 0.94 #QF 0.94
 34 VAL  HA     34 VAL  QG2     3.41            #peak 1440 #SUP 0.93 #QF 0.93
 14 PHE  QE     34 VAL  QG1     4.79            #peak 1444 #SUP 0.98 #QF 0.98
 34 VAL  QG1    35 ASP  HA      4.38            #peak 1445 #SUP 0.99 #QF 0.99
 34 VAL  HA     34 VAL  QG1     3.43            #peak 1446 #SUP 1.00
 33 ILE  HB     34 VAL  QG1     3.91            #peak 1447 #SUP 0.88 #QF 0.88
 28 LEU  QD2    34 VAL  QG1     3.96            #peak 1450 #SUP 0.88 #QF 0.88
 39 ILE  QG2    40 PHE  H       3.62            #peak 1452 #SUP 0.99 #QF 0.99
 39 ILE  QG2    40 PHE  HA      3.94            #peak 1453 #SUP 1.00 #QF 0.98
 39 ILE  QG2    61 PRO  HA      4.44            #peak 1453 #SUP 1.00 #QF 0.98
 39 ILE  HA     39 ILE  QG2     3.52            #peak 1454 #SUP 0.97 #QF 0.97
 39 ILE  QG2    39 ILE  HG12    3.92            #peak 1456 #SUP 0.73 #QF 0.73
 60 HIS  HA     61 PRO  HD2     3.09            #peak 1465 #SUP 0.84 #QF 0.84
 60 HIS  HA     61 PRO  HD3     3.12            #peak 1466 #SUP 0.57 #QF 0.57
 14 PHE  HA     14 PHE  QE      4.35            #peak 1469 #SUP 0.96 #QF 0.96
 27 PRO  HG2    31 LEU  HG      2.81            #peak 1492 #SUP 0.67 #QF 0.67
 27 PRO  HB2    66 THR  QG2     4.35            #peak 1499 #SUP 0.63 #QF 0.63
  4 SER  QB      5 LYS  H       3.98            #peak 1503 #SUP 0.82 #QF 0.82
 77 LEU  QD1    78 LYS  QD      3.54            #peak 1505 #SUP 0.61 #QF 0.61
 10 ILE  HA     10 ILE  QG2     3.33            #peak 1511 #SUP 0.90 #QF 0.90
 10 ILE  QG2    14 PHE  HB2     4.52            #peak 1512 #SUP 0.89 #QF 0.89
 10 ILE  QG2    13 GLN  HG2     4.19            #peak 1514 #SUP 0.36 #QF 0.36
 25 GLN  HA     25 GLN  HG3     3.50            #peak 1521 #SUP 0.80 #QF 0.80
 48 GLN  HA     48 GLN  HG3     3.40            #peak 1523 #SUP 0.92 #QF 0.79
 33 ILE  HA     33 ILE  HG12    3.83            #peak 1540 #SUP 0.91 #QF 0.91
 33 ILE  HA     33 ILE  QG2     3.15            #peak 1541 #SUP 0.83 #QF 0.83
 56 MET  QB     56 MET  HG2     2.83            #peak 1561 #SUP 0.82 #QF 0.55
 56 MET  QB     56 MET  HG3     2.83            #peak 1565 #SUP 0.89 #QF 0.89
 60 HIS  QB     61 PRO  HD3     4.10            #peak 1566 #SUP 0.97 #QF 0.97
 60 HIS  QB     61 PRO  HD2     3.45            #peak 1567 #SUP 0.89 #QF 0.89
 28 LEU  HG     66 THR  HA      4.59            #peak 1571 #SUP 0.94 #QF 0.94
 75 GLN  H      75 GLN  HB3     3.66            #peak 1576 #SUP 0.78 #QF 0.78
 77 LEU  HA     77 LEU  HG      4.06            #peak 1578 #SUP 0.68 #QF 0.68
 77 LEU  QD1    78 LYS  HB3     4.38            #peak 1585 #SUP 0.95 #QF 0.95
 77 LEU  QD1    78 LYS  HB2     3.96            #peak 1586 #SUP 0.85 #QF 0.85
 78 LYS  HG3    78 LYS  QE      3.97            #peak 1587 #SUP 1.00
 78 LYS  HA     78 LYS  HG3     4.01            #peak 1589 #SUP 0.75 #QF 0.75
 62 ALA  HA     65 ALA  H       4.23            #peak 1600 #SUP 0.45 #QF 0.45
 78 LYS  HB3    79 ALA  HA      4.30            #peak 1604 #SUP 0.78 #QF 0.78
 16 ASP  HA     17 GLY  HA3     4.45            #peak 1605 #SUP 0.51 #QF 0.51
 12 THR  HB     13 GLN  HB3     4.28            #peak 1611 #SUP 0.30 #QF 0.30
 67 VAL  HA     68 GLN  HA      4.87            #peak 1619 #SUP 0.99 #QF 0.99
 43 VAL  HA     47 ARG  H       5.00            #peak 1624 #SUP 0.97 #QF 0.87
 36 PNS  HA     36 PNS  H282    4.90            #peak 1626 #SUP 0.93 #QF 0.51
 74 VAL  HA     77 LEU  HB3     5.04            #peak 1627 #SUP 0.47 #QF 0.47
 38 ALA  HA     41 ASP  HB3     4.66            #peak 1632 #SUP 0.55 #QF 0.55
 45 PHE  HB3    46 LEU  QD2     5.06            #peak 1634 #SUP 0.91 #QF 0.91
  7 ILE  QG2     8 ASN  QB      4.22            #peak 1638 #SUP 0.86 #QF 0.86
 14 PHE  HB2    15 LEU  HG      4.31            #peak 1640 #SUP 0.86 #QF 0.86
 63 ASN  HB3    73 LEU  QD2     4.31            #peak 1643 #SUP 0.62 #QF 0.62
 63 ASN  HB3    73 LEU  QD1     4.17            #peak 1644 #SUP 0.75 #QF 0.75
 63 ASN  HB2    73 LEU  QD2     4.31            #peak 1648 #SUP 0.60 #QF 0.60
 27 PRO  HB3    66 THR  QG2     4.31            #peak 1651 #SUP 0.35 #QF 0.35
 67 VAL  HB     68 GLN  H       4.26            #peak 1658 #SUP 0.86 #QF 0.86
 71 VAL  HB     72 ALA  QB      4.17            #peak 1659 #SUP 0.47 #QF 0.47
 36 PNS  H32    56 MET  QE      4.66            #peak 1661 #SUP 0.85 #QF 0.85
 56 MET  QE     59 ILE  QG2     4.19            #peak 1662 #SUP 0.51 #QF 0.51
 30 GLU  HB3    31 LEU  H       4.44            #peak 1663 #SUP 0.85 #QF 0.85
 43 VAL  HA     46 LEU  HB2     4.28            #peak 1665 #SUP 0.97 #QF 0.97
 39 ILE  QD1    70 MET  QE      4.49            #peak 1666 #SUP 0.58 #QF 0.58
 11 ALA  QB     15 LEU  HB2     4.22            #peak 1668 #SUP 0.99 #QF 0.99
 56 MET  HA     59 ILE  HG13    4.44            #peak 1674 #SUP 0.98 #QF 0.98
 28 LEU  HA     31 LEU  HG      4.67            #peak 1675 #SUP 0.88 #QF 0.88
 63 ASN  HA     65 ALA  QB      4.79            #peak 1681 #SUP 1.00 #QF 0.85
 65 ALA  QB     66 THR  HA      5.15            #peak 1681 #SUP 1.00 #QF 0.85
 11 ALA  HA     15 LEU  HG      4.26            #peak 1686 #SUP 1.00
 28 LEU  HB2    34 VAL  QG1     4.24            #peak 1687 #SUP 0.94 #QF 0.94
 28 LEU  HB3    34 VAL  HB      4.42            #peak 1688 #SUP 0.64 #QF 0.64
 10 ILE  HB     13 GLN  HG3     4.42            #peak 1693 #SUP 0.90 #QF 0.90
 26 THR  QG2    27 PRO  HG2     4.26            #peak 1694 #SUP 0.96 #QF 0.96
 39 ILE  HA     39 ILE  HG12    4.19            #peak 1695 #SUP 0.86 #QF 0.86
 12 THR  QG2    17 GLY  H       4.20            #peak 1696 #SUP 0.93 #QF 0.93
  6 LEU  QD1     7 ILE  H       4.30            #peak 1697 #SUP 1.00
 28 LEU  HB3    34 VAL  QG1     4.13            #peak 1702 #SUP 0.96 #QF 0.96
  2 LEU  QQD    45 PHE  QE      4.36            #peak 1709 #SUP 0.63 #QF 0.33
  2 LEU  QQD    45 PHE  HZ      4.90            #peak 1709 #SUP 0.63 #QF 0.33
 54 ILE  QG2    64 PHE  HZ      4.52            #peak 1712 #SUP 0.59 #QF 0.59
 22 LEU  HA     22 LEU  QD1     4.33            #peak 1714 #SUP 0.78 #QF 0.78
  7 ILE  QG2    11 ALA  HA      4.31            #peak 1715 #SUP 0.53 #QF 0.53
 63 ASN  HA     73 LEU  QD2     4.25            #peak 1717 #SUP 0.81 #QF 0.81
 52 VAL  QG2    53 SER  H       4.22            #peak 1721 #SUP 0.94 #QF 0.94
 59 ILE  HA     59 ILE  HG12    4.16            #peak 1724 #SUP 0.89 #QF 0.89
 39 ILE  HA     39 ILE  HG13    4.19            #peak 1728 #SUP 0.90 #QF 0.90
 56 MET  HA     59 ILE  QG2     4.26            #peak 1730 #SUP 1.00
 39 ILE  QD1    65 ALA  H       5.32            #peak 1731 #SUP 0.74 #QF 0.74
 39 ILE  QD1    61 PRO  HD3     4.78            #peak 1732 #SUP 0.93 #QF 0.93
 39 ILE  QG2    43 VAL  HB      4.98            #peak 1735 #SUP 0.73 #QF 0.59
 61 PRO  HA     64 PHE  HB3     4.33            #peak 1737 #SUP 0.68 #QF 0.68
 38 ALA  HA     41 ASP  HB2     4.66            #peak 1748 #SUP 0.83 #QF 0.83
 27 PRO  HB2    31 LEU  HB2     5.25            #peak 1750 #SUP 0.81 #QF 0.81
 40 PHE  HB2    41 ASP  H       4.15            #peak 1751 #SUP 0.95 #QF 0.95
 40 PHE  HB3    41 ASP  H       4.15            #peak 1752 #SUP 0.98 #QF 0.98
 39 ILE  HA     42 LEU  HB2     4.27            #peak 1753 #SUP 0.85 #QF 0.85
 45 PHE  HB2    46 LEU  H       4.33            #peak 1755 #SUP 1.00
 78 LYS  HB3    78 LYS  QE      4.28            #peak 1761 #SUP 0.98 #QF 0.98
 78 LYS  HB2    78 LYS  QE      4.52            #peak 1762 #SUP 1.00
 54 ILE  QD1    55 GLY  HA3     5.50            #peak 1773 #SUP 0.58 #QF 0.58
  4 SER  HA      8 ASN  H       4.47            #peak 1777 #SUP 0.66 #QF 0.66
  9 HIS  HA     11 ALA  H       4.98            #peak 1781 #SUP 0.65 #QF 0.65
 72 ALA  HA     76 ARG  H       4.75            #peak 1783 #SUP 0.70 #QF 0.70
 11 ALA  H      12 THR  HB      5.41            #peak 1785 #SUP 0.60 #QF 0.60
 36 PNS  HA     36 PNS  H283    4.90            #peak 1795 #SUP 0.74 #QF 0.74
  6 LEU  HA     45 PHE  HZ      5.20            #peak 1799 #SUP 0.43 #QF 0.43
 26 THR  HB     28 LEU  HA      5.50            #peak 1802 #SUP 0.94 #QF 0.94
 54 ILE  QD1    55 GLY  HA2     5.50            #peak 1806 #SUP 0.58 #QF 0.36
 28 LEU  HB3    34 VAL  HA      5.50            #peak 1809 #SUP 0.89 #QF 0.41
 67 VAL  HA     70 MET  H       4.34            #peak 1810 #SUP 0.95 #QF 0.95
  2 LEU  HG      3 GLU  HA      4.42            #peak 1819 #SUP 0.59 #QF 0.59
 39 ILE  QD1    64 PHE  HB2     4.46            #peak 1824 #SUP 0.79 #QF 0.79
 14 PHE  HB3    15 LEU  HG      4.43            #peak 1831 #SUP 0.82 #QF 0.82
 39 ILE  HA     42 LEU  H       4.46            #peak 1832 #SUP 0.67 #QF 0.67
 45 PHE  HB3    46 LEU  HG      4.53            #peak 1847 #SUP 0.56 #QF 0.56
  7 ILE  HB      8 ASN  QB      4.37            #peak 1854 #SUP 0.98 #QF 0.98
 44 ASP  HB3    48 GLN  HB2     5.46            #peak 1856 #SUP 0.40 #QF 0.40
 18 GLU  HG2    20 ASP  H       5.32            #peak 1869 #SUP 1.00 #QF 0.99
 70 MET  HA     73 LEU  HB2     4.90            #peak 1875 #SUP 0.72 #QF 0.72
 36 PNS  Q37    56 MET  QE      4.63            #peak 1882 #SUP 0.94 #QF 0.94
 57 GLN  QB     58 GLU  H       4.42            #peak 1884 #SUP 0.70 #QF 0.70
 70 MET  QE     71 VAL  H       4.63            #peak 1889 #SUP 0.99 #QF 0.99
 34 VAL  QG1    70 MET  QE      4.74            #peak 1891 #SUP 0.61 #QF 0.61
  4 SER  QB      7 ILE  HB      4.72            #peak 1893 #SUP 0.88 #QF 0.88
 47 ARG  HG3    53 SER  HA      5.20            #peak 1894 #SUP 0.99 #QF 0.98
 27 PRO  HA     28 LEU  HG      5.50            #peak 1895 #SUP 0.44 #QF 0.44
 31 LEU  HG     33 ILE  H       5.39            #peak 1899 #SUP 0.97 #QF 0.97
 19 LYS  HA     22 LEU  HB3     5.04            #peak 1902 #SUP 0.78 #QF 0.78
 12 THR  HB     13 GLN  HG2     5.29            #peak 1909 #SUP 0.98 #QF 0.98
 28 LEU  HB2    65 ALA  HA      4.63            #peak 1916 #SUP 0.90 #QF 0.90
 69 SER  H      72 ALA  QB      4.85            #peak 1917 #SUP 0.95 #QF 0.95
 34 VAL  QG1    38 ALA  QB      4.55            #peak 1924 #SUP 0.80 #QF 0.80
 70 MET  HA     73 LEU  HB3     4.90            #peak 1925 #SUP 0.97 #QF 0.97
 43 VAL  HA     46 LEU  HB3     4.85            #peak 1927 #SUP 0.92 #QF 0.92
 11 ALA  QB     17 GLY  HA2     4.54            #peak 1929 #SUP 0.60 #QF 0.60
 36 PNS  HA     39 ILE  HG12    4.93            #peak 1933 #SUP 0.95 #QF 0.71
  2 LEU  QQD     6 LEU  H       5.41            #peak 1946 #SUP 0.92 #QF 0.42
 15 LEU  QD1    20 ASP  H       4.40            #peak 1949 #SUP 0.95 #QF 0.85
 14 PHE  HB2    15 LEU  QD1     4.43            #peak 1951 #SUP 0.65 #QF 0.65
 44 ASP  H      54 ILE  QG2     5.50            #peak 1957 #SUP 0.79 #QF 0.29
 54 ILE  QG2    58 GLU  H       5.50            #peak 1957 #SUP 0.79 #QF 0.29
 31 LEU  QD1    33 ILE  H       4.80            #peak 1958 #SUP 0.92 #QF 0.92
  7 ILE  QG2    23 ASP  HA      4.71            #peak 1959 #SUP 0.98 #QF 0.54
 54 ILE  QD1    64 PHE  HZ      4.43            #peak 1962 #SUP 0.70 #QF 0.70
  7 ILE  QD1     8 ASN  H       4.42            #peak 1965 #SUP 0.85 #QF 0.85
  7 ILE  QD1    23 ASP  HB2     4.61            #peak 1966 #SUP 0.90 #QF 0.90
 52 VAL  QG2    78 LYS  QE      4.39            #peak 1969 #SUP 0.72 #QF 0.72
 33 ILE  QD1    34 VAL  H       4.55            #peak 1970 #SUP 0.89 #QF 0.89
 10 ILE  QD1    13 GLN  H       4.96            #peak 1971 #SUP 0.50 #QF 0.50
 56 MET  HA     59 ILE  HG12    4.44            #peak 1975 #SUP 0.99 #QF 0.99
 64 PHE  HZ     73 LEU  QD1     5.01            #peak 1981 #SUP 0.95 #QF 0.95
 63 ASN  HA     73 LEU  QD1     5.50            #peak 1982 #SUP 0.92 #QF 0.92
 34 VAL  QG2    35 ASP  HA      4.57            #peak 1983 #SUP 0.99 #QF 0.99
 14 PHE  HB3    34 VAL  QG2     5.50            #peak 1985 #SUP 0.97 #QF 0.97
 34 VAL  QG2    42 LEU  HG      5.39            #peak 1986 #SUP 0.86 #QF 0.86
 33 ILE  HB     34 VAL  QG2     5.26            #peak 1987 #SUP 1.00
 33 ILE  H      34 VAL  QG1     4.39            #peak 1988 #SUP 0.99 #QF 0.99
 80 HIS  HA     81 PRO  QG      4.36            #peak 1994 #SUP 0.96 #QF 0.96
 60 HIS  QB     61 PRO  HG2     4.63            #peak 1996 #SUP 0.64 #QF 0.64
 30 GLU  HB2    31 LEU  H       4.44            #peak 2006 #SUP 0.97 #QF 0.97
 31 LEU  HB2    33 ILE  H       4.41            #peak 2008 #SUP 0.95 #QF 0.95
 46 LEU  HB3    47 ARG  HA      4.55            #peak 2017 #SUP 0.53 #QF 0.53
 36 PNS  Q51    36 PNS  H36     4.87            #peak 2018 #SUP 0.62 #QF 0.62
 36 PNS  Q51    40 PHE  QD      5.48            #peak 2019 #SUP 0.97 #QF 0.97
 73 LEU  HG     77 LEU  HG      4.54            #peak 2025 #SUP 0.72 #QF 0.72
 57 GLN  HA     59 ILE  H       4.70            #peak 2034 #SUP 0.67 #QF 0.67
 27 PRO  HD2    31 LEU  HB2     5.50            #peak 2046 #SUP 0.45 #QF 0.45
 78 LYS  HA     78 LYS  QE      4.88            #peak 2047 #SUP 0.62 #QF 0.62
 36 PNS  QB     39 ILE  QD1     5.31            #peak 2050 #SUP 0.92 #QF 0.92
 50 SER  HB3    78 LYS  QE      5.08            #peak 2065 #SUP 0.67 #QF 0.67
 14 PHE  QE     34 VAL  HA      4.69            #peak 2069 #SUP 0.94 #QF 0.94
 50 SER  HB2    78 LYS  QE      5.08            #peak 2079 #SUP 0.68 #QF 0.68
 28 LEU  HA     33 ILE  H       5.09            #peak 2086 #SUP 0.86 #QF 0.86
 60 HIS  H      61 PRO  HD3     5.09            #peak 2088 #SUP 0.89 #QF 0.89
 36 PNS  Q52    61 PRO  HD3     5.50            #peak 2089 #SUP 0.42 #QF 0.42
 43 VAL  HA     45 PHE  H       4.77            #peak 2092 #SUP 0.49 #QF 0.49
 10 ILE  HA     14 PHE  HB2     4.99            #peak 2097 #SUP 0.75 #QF 0.75
 36 PNS  H32    36 PNS  Q37     5.12            #peak 2100 #SUP 0.88 #QF 0.88
 36 PNS  Q52    36 PNS  Q37     5.14            #peak 2103 #SUP 0.96 #QF 0.96
 15 LEU  HA     16 ASP  HB2     5.11            #peak 2125 #SUP 0.31 #QF 0.31
 16 ASP  HB2    18 GLU  HB3     4.93            #peak 2126 #SUP 0.67 #QF 0.67
 44 ASP  HB2    45 PHE  HA      5.16            #peak 2129 #SUP 0.74 #QF 0.74
  8 ASN  QB     19 LYS  QD      4.65            #peak 2134 #SUP 0.81 #QF 0.81
 44 ASP  HB3    45 PHE  HA      5.07            #peak 2140 #SUP 0.70 #QF 0.70
 16 ASP  HB3    18 GLU  HB3     4.93            #peak 2148 #SUP 0.90 #QF 0.90
 15 LEU  HA     16 ASP  HB3     5.11            #peak 2149 #SUP 0.90 #QF 0.90
 36 PNS  Q52    36 PNS  Q38     5.04            #peak 2157 #SUP 0.70 #QF 0.70
 30 GLU  HG2    31 LEU  H       5.09            #peak 2164 #SUP 0.43 #QF 0.43
 30 GLU  HG3    31 LEU  H       5.09            #peak 2167 #SUP 0.58 #QF 0.58
 18 GLU  HG3    19 LYS  H       4.92            #peak 2168 #SUP 0.99 #QF 0.95
 18 GLU  HG2    19 LYS  H       5.50            #peak 2168 #SUP 0.99 #QF 0.95
 15 LEU  HB3    20 ASP  H       5.04            #peak 2180 #SUP 0.32 #QF 0.32
 15 LEU  HB3    18 GLU  H       4.87            #peak 2181 #SUP 0.60 #QF 0.60
 67 VAL  H      68 GLN  QB      5.00            #peak 2183 #SUP 0.94 #QF 0.94
 58 GLU  H      59 ILE  HB      4.76            #peak 2185 #SUP 0.53 #QF 0.53
 67 VAL  H      70 MET  QE      4.95            #peak 2188 #SUP 0.99 #QF 0.99
 65 ALA  H      70 MET  QE      5.09            #peak 2189 #SUP 0.60 #QF 0.60
 15 LEU  HB2    18 GLU  H       5.12            #peak 2196 #SUP 0.97 #QF 0.97
 64 PHE  HA     70 MET  HG3     4.99            #peak 2206 #SUP 0.75 #QF 0.75
  6 LEU  HG      7 ILE  H       5.17            #peak 2207 #SUP 0.44 #QF 0.44
  6 LEU  HG     45 PHE  QE      5.50            #peak 2208 #SUP 0.79 #QF 0.67
  6 LEU  HG     45 PHE  HZ      5.50            #peak 2208 #SUP 0.79 #QF 0.67
 19 LYS  HB2    20 ASP  QB      4.77            #peak 2212 #SUP 0.72 #QF 0.72
 19 LYS  HG3    20 ASP  H       5.50            #peak 2215 #SUP 0.87 #QF 0.87
 32 ASN  HA     33 ILE  HB      5.19            #peak 2216 #SUP 0.93 #QF 0.93
 54 ILE  HB     55 GLY  H       4.97            #peak 2219 #SUP 1.00
 53 SER  HA     54 ILE  HB      4.78            #peak 2221 #SUP 0.88 #QF 0.88
 39 ILE  QD1    61 PRO  HG3     5.36            #peak 2223 #SUP 0.74 #QF 0.74
 45 PHE  QE     49 GLU  HG3     5.16            #peak 2225 #SUP 0.90 #QF 0.69
 19 LYS  QD     20 ASP  H       5.38            #peak 2226 #SUP 0.56 #QF 0.56
 29 PHE  H      65 ALA  QB      5.06            #peak 2227 #SUP 0.98 #QF 0.98
 28 LEU  H      65 ALA  QB      5.04            #peak 2228 #SUP 0.93 #QF 0.93
 64 PHE  HB2    65 ALA  QB      5.24            #peak 2229 #SUP 0.69 #QF 0.69
 28 LEU  HB2    33 ILE  H       5.50            #peak 2240 #SUP 0.93 #QF 0.93
 27 PRO  HA     28 LEU  HB2     5.07            #peak 2241 #SUP 0.40 #QF 0.40
 28 LEU  HB2    66 THR  HA      4.89            #peak 2242 #SUP 0.97 #QF 0.97
 71 VAL  HA     72 ALA  QB      5.14            #peak 2244 #SUP 0.98 #QF 0.98
 75 GLN  HB3    78 LYS  HG2     5.50            #peak 2249 #SUP 0.58 #QF 0.58
 33 ILE  HG12   34 VAL  H       5.03            #peak 2252 #SUP 0.79 #QF 0.79
 19 LYS  HA     22 LEU  HB2     5.50            #peak 2255 #SUP 0.82 #QF 0.82
 22 LEU  HB2    23 ASP  H       5.12            #peak 2256 #SUP 0.98 #QF 0.98
 11 ALA  HA     22 LEU  HB2     5.50            #peak 2257 #SUP 0.50 #QF 0.50
 14 PHE  HB3    38 ALA  QB      5.50            #peak 2259 #SUP 0.32 #QF 0.32
 70 MET  HA     73 LEU  HG      4.95            #peak 2260 #SUP 0.83 #QF 0.83
 73 LEU  HG     75 GLN  H       5.12            #peak 2261 #SUP 0.55 #QF 0.55
 19 LYS  HG2    20 ASP  H       4.84            #peak 2263 #SUP 0.97 #QF 0.97
 50 SER  HA     51 LYS  HG3     5.39            #peak 2264 #SUP 0.85 #QF 0.85
 50 SER  HA     51 LYS  HG2     5.39            #peak 2267 #SUP 0.88 #QF 0.88
 11 ALA  QB     15 LEU  H       4.93            #peak 2268 #SUP 0.89 #QF 0.89
 10 ILE  HA     11 ALA  QB      4.95            #peak 2269 #SUP 0.62 #QF 0.62
 12 THR  HB     13 GLN  HG3     5.29            #peak 2274 #SUP 0.99 #QF 0.99
 26 THR  QG2    28 LEU  H       4.86            #peak 2275 #SUP 0.32 #QF 0.32
 39 ILE  HG12   40 PHE  H       5.32            #peak 2276 #SUP 0.90 #QF 0.90
 25 GLN  H      67 VAL  QG1     5.50            #peak 2281 #SUP 0.77 #QF 0.77
 25 GLN  H      67 VAL  QG2     5.50            #peak 2283 #SUP 0.80 #QF 0.67
 28 LEU  HB3    29 PHE  HA      5.12            #peak 2286 #SUP 0.95 #QF 0.95
 34 VAL  QG1    42 LEU  QD1     4.95            #peak 2292 #SUP 0.51 #QF 0.51
  2 LEU  QQD     5 LYS  H       5.27            #peak 2295 #SUP 0.21 #QF 0.21
 10 ILE  HA     13 GLN  HB3     5.21            #peak 2299 #SUP 0.88 #QF 0.88
 45 PHE  HB3    46 LEU  QD1     5.06            #peak 2302 #SUP 0.82 #QF 0.82
 54 ILE  QG2    59 ILE  H       5.23            #peak 2306 #SUP 0.84 #QF 0.84
 54 ILE  QD1    64 PHE  QE      4.69            #peak 2319 #SUP 0.66 #QF 0.66
 55 GLY  H      77 LEU  QD2     5.50            #peak 2322 #SUP 0.23 #QF 0.23
 64 PHE  HZ     73 LEU  QD2     5.19            #peak 2326 #SUP 0.87 #QF 0.87
 56 MET  H      59 ILE  QD1     4.84            #peak 2328 #SUP 0.84 #QF 0.84
 58 GLU  H      59 ILE  QD1     4.99            #peak 2329 #SUP 0.60 #QF 0.60
 59 ILE  QD1    64 PHE  HZ      5.50            #peak 2330 #SUP 0.29 #QF 0.29
 10 ILE  HA     13 GLN  HB2     5.50            #peak 2332 #SUP 0.38 #QF 0.38
 28 LEU  QD2    29 PHE  H       4.96            #peak 2336 #SUP 0.92 #QF 0.92
 28 LEU  QD1    67 VAL  H       5.06            #peak 2339 #SUP 0.98 #QF 0.98
 73 LEU  QD1    75 GLN  H       5.50            #peak 2345 #SUP 0.82 #QF 0.82
 73 LEU  QD1    74 VAL  HA      5.16            #peak 2347 #SUP 0.68 #QF 0.68
 39 ILE  HG13   40 PHE  H       5.32            #peak 2348 #SUP 0.82 #QF 0.82
 36 PNS  HA     39 ILE  HG13    4.93            #peak 2349 #SUP 0.98 #QF 0.79
 36 PNS  Q37    59 ILE  QG2     5.50            #peak 2350 #SUP 0.65 #QF 0.42
 59 ILE  QG2    64 PHE  HB2     5.50            #peak 2350 #SUP 0.65 #QF 0.42
 39 ILE  QD1    60 HIS  HA      5.16            #peak 2353 #SUP 0.85 #QF 0.85
 32 ASN  HA     34 VAL  QG1     4.86            #peak 2358 #SUP 0.78 #QF 0.78
 39 ILE  QG2    64 PHE  HB3     4.88            #peak 2363 #SUP 0.72 #QF 0.72
 61 PRO  HA     65 ALA  H       4.68            #peak 2365 #SUP 0.86 #QF 0.86
 70 MET  HB2    71 VAL  H       5.04            #peak 2366 #SUP 0.97 #QF 0.97
 64 PHE  H      70 MET  HB2     5.50            #peak 2367 #SUP 0.93 #QF 0.93
 64 PHE  HA     70 MET  HG2     4.99            #peak 2370 #SUP 0.92 #QF 0.92
 45 PHE  QE     49 GLU  HG2     5.16            #peak 2371 #SUP 0.93 #QF 0.85
 39 ILE  QD1    61 PRO  HG2     5.50            #peak 2373 #SUP 0.39 #QF 0.39
  9 HIS  QB     10 ILE  HG12    4.65            #peak 2376 #SUP 0.42 #QF 0.42
 52 VAL  HA     78 LYS  QD      5.24            #peak 2379 #SUP 0.57 #QF 0.57
 20 ASP  QB     21 GLY  HA3     4.73            #peak 2382 #SUP 0.66 #QF 0.66
 22 LEU  HG     23 ASP  H       5.13            #peak 2386 #SUP 0.89 #QF 0.89
 28 LEU  HA     31 LEU  HB3     5.50            #peak 2392 #SUP 0.96 #QF 0.96
 31 LEU  HB3    33 ILE  H       4.71            #peak 2393 #SUP 0.96 #QF 0.96
 28 LEU  HA     31 LEU  HB2     4.69            #peak 2394 #SUP 0.92 #QF 0.92
 36 PNS  Q52    40 PHE  HB2     4.79            #peak 2397 #SUP 0.70 #QF 0.70
 36 PNS  Q52    40 PHE  HB3     4.79            #peak 2400 #SUP 0.45 #QF 0.45
 36 PNS  Q51    39 ILE  QG2     5.18            #peak 2407 #SUP 0.86 #QF 0.86
 54 ILE  HG12   55 GLY  H       5.12            #peak 2408 #SUP 0.96 #QF 0.96
 60 HIS  QB     61 PRO  HA      4.78            #peak 2412 #SUP 0.79 #QF 0.79
 59 ILE  QG2    60 HIS  QB      5.14            #peak 2415 #SUP 0.83 #QF 0.83
 64 PHE  H      70 MET  HB3     4.95            #peak 2418 #SUP 0.97 #QF 0.97
 64 PHE  HB2    70 MET  HB3     5.15            #peak 2419 #SUP 0.71 #QF 0.71
 75 GLN  HB3    78 LYS  HG3     5.07            #peak 2421 #SUP 0.63 #QF 0.63
 80 HIS  HB2    83 GLN  QG      4.89            #peak 2424 #SUP 0.95 #QF 0.95
 21 GLY  HA3    22 LEU  HB2     5.26            #peak 2428 #SUP 0.89 #QF 0.43
 85 GLY  QA     86 ALA  QB      5.47            #peak 2428 #SUP 0.89 #QF 0.43
 28 LEU  HG     67 VAL  H       5.50            #peak 2433 #SUP 0.89 #QF 0.89
 39 ILE  QG2    59 ILE  HB      5.34            #peak 2436 #SUP 0.98 #QF 0.98
  9 HIS  QB      9 HIS  HD2     3.76            #peak 2 #SUP 0.89 #QF 0.89
 29 PHE  HA     29 PHE  QD      3.25            #peak 11 #SUP 0.93 #QF 0.93
 40 PHE  HA     40 PHE  QD      3.13            #peak 13 #SUP 0.86 #QF 0.86
 45 PHE  HA     45 PHE  QD      3.08            #peak 16 #SUP 0.89 #QF 0.89
  6 LEU  QD2    45 PHE  QE      4.17            #peak 18 #SUP 0.78 #QF 0.78
  6 LEU  HA     45 PHE  QE      3.92            #peak 19 #SUP 0.61 #QF 0.61
  2 LEU  HG     45 PHE  QE      3.54            #peak 21 #SUP 0.52 #QF 0.52
  2 LEU  HG     45 PHE  HZ      4.10            #peak 22 #SUP 0.79 #QF 0.70
 60 HIS  QB     60 HIS  HD2     2.99            #peak 23 #SUP 0.75 #QF 0.75
 59 ILE  HA     64 PHE  QE      3.46            #peak 25 #SUP 0.72 #QF 0.72
 40 PHE  HA     40 PHE  QE      4.86            #peak 30 #SUP 0.91 #QF 0.91
 14 PHE  HA     14 PHE  QD      2.95            #peak 35 #SUP 0.85 #QF 0.85
 14 PHE  H      14 PHE  QD      3.31            #peak 37 #SUP 0.88 #QF 0.88
 10 ILE  HG12   14 PHE  QD      4.57            #peak 38 #SUP 0.86 #QF 0.86
 14 PHE  QD     34 VAL  HB      3.88            #peak 39 #SUP 0.83 #QF 0.83
 14 PHE  QD     34 VAL  HA      3.94            #peak 40 #SUP 0.96 #QF 0.96
 29 PHE  QE     65 ALA  HA      3.32            #peak 43 #SUP 0.76 #QF 0.76
 29 PHE  QD     65 ALA  HA      3.22            #peak 44 #SUP 0.80 #QF 0.80
  9 HIS  HA      9 HIS  HD2     4.26            #peak 49 #SUP 0.34 #QF 0.34
  9 HIS  HD2    10 ILE  HB      4.70            #peak 50 #SUP 0.83 #QF 0.33
  9 HIS  HD2    10 ILE  HG12    5.09            #peak 50 #SUP 0.83 #QF 0.33
 29 PHE  H      29 PHE  QD      3.60            #peak 58 #SUP 0.99 #QF 0.99
 45 PHE  QD     46 LEU  H       4.26            #peak 59 #SUP 0.92 #QF 0.92
  9 HIS  HD2    10 ILE  HA      4.60            #peak 63 #SUP 0.62 #QF 0.62
 14 PHE  QE     34 VAL  HB      3.87            #peak 72 #SUP 0.58 #QF 0.58
 28 LEU  H      29 PHE  QD      4.89            #peak 75 #SUP 0.92 #QF 0.92
 29 PHE  QD     29 PHE  HZ      3.90            #peak 78 #SUP 0.86 #QF 0.86
 28 LEU  HB2    29 PHE  QD      3.90            #peak 79 #SUP 0.70 #QF 0.70
 40 PHE  QD     59 ILE  QG2     4.72            #peak 87 #SUP 0.74 #QF 0.74
 64 PHE  HA     64 PHE  QD      3.48            #peak 95 #SUP 0.86 #QF 0.86
 61 PRO  HA     64 PHE  QD      4.16            #peak 96 #SUP 0.41 #QF 0.41
 45 PHE  H      45 PHE  QD      4.30            #peak 104 #SUP 0.99 #QF 0.99
 45 PHE  QD     46 LEU  HA      3.97            #peak 109 #SUP 0.78 #QF 0.78
  6 LEU  QD2    45 PHE  QD      3.80            #peak 112 #SUP 0.70 #QF 0.70
  6 LEU  H      45 PHE  QE      4.42            #peak 114 #SUP 0.84 #QF 0.84
  9 HIS  QB     45 PHE  QE      5.28            #peak 117 #SUP 0.46 #QF 0.46
 46 LEU  H      64 PHE  QE      4.94            #peak 119 #SUP 0.65 #QF 0.65
 43 VAL  H      64 PHE  QE      4.39            #peak 120 #SUP 0.63 #QF 0.63
 43 VAL  HA     64 PHE  QE      3.94            #peak 124 #SUP 0.59 #QF 0.59
 64 PHE  QE     73 LEU  QD2     2.84            #peak 127 #SUP 0.24 #QF 0.24
 60 HIS  HD2    62 ALA  HA      5.19            #peak 138 #SUP 0.58 #QF 0.58
 60 HIS  HD2    61 PRO  HD3     5.50            #peak 139 #SUP 0.85 #QF 0.85
 60 HIS  HD2    61 PRO  HD2     4.35            #peak 140 #SUP 0.79 #QF 0.79
 60 HIS  HD2    61 PRO  HG2     5.34            #peak 142 #SUP 0.86 #QF 0.86
 64 PHE  QD     64 PHE  HZ      3.80            #peak 145 #SUP 1.00
 43 VAL  HA     64 PHE  HZ      4.52            #peak 147 #SUP 0.97 #QF 0.97
 43 VAL  HB     64 PHE  HZ      4.53            #peak 148 #SUP 0.86 #QF 0.86
 29 PHE  HA     29 PHE  QE      4.57            #peak 168 #SUP 0.72 #QF 0.72
 14 PHE  HZ     38 ALA  HA      4.51            #peak 172 #SUP 0.50 #QF 0.50
 29 PHE  QD     65 ALA  QB      4.24            #peak 183 #SUP 0.57 #QF 0.57
 59 ILE  HA     64 PHE  HZ      4.72            #peak 185 #SUP 0.49 #QF 0.49
 40 PHE  QE     56 MET  QE      4.89            #peak 187 #SUP 0.94 #QF 0.94
  2 LEU  QQD    49 GLU  QG      2.66            #peak 1256
  3 GLU  H       3 GLU  QB      3.47            #peak 741
  3 GLU  H       3 GLU  QG      4.00            #peak 741
  3 GLU  HA      3 GLU  QG      3.47            #peak 741
  3 GLU  HA      6 LEU  QB      5.00            #peak 2237
  3 GLU  HA     24 SER  QB      5.34            #peak 1818
  3 GLU  QB      4 SER  H       3.57            #peak 781
  3 GLU  QB      6 LEU  QD1     4.93            #peak 1500
  3 GLU  QB     24 SER  QB      4.73            #peak 691
  3 GLU  QG      6 LEU  QD2     3.83            #peak 907
  3 GLU  QG     24 SER  QB      3.99            #peak 1876
  5 LYS  H       5 LYS  QB      3.54            #peak 144
  5 LYS  H       5 LYS  QG      4.11            #peak 147
  5 LYS  HA      5 LYS  QG      3.58            #peak 28
  5 LYS  QB      5 LYS  QD      3.19            #peak 987
  5 LYS  QB      5 LYS  QE      4.68            #peak 2204
  5 LYS  QB     45 PHE  QE      4.30            #peak 1672
  5 LYS  QB     45 PHE  HZ      4.54            #peak 1672
  5 LYS  QG      5 LYS  QE      3.45            #peak 1063
  5 LYS  QD     45 PHE  QE      5.34            #peak 23
  5 LYS  QD     45 PHE  HZ      5.34            #peak 23
  6 LEU  H       6 LEU  QB      3.47            #peak 649
  6 LEU  QB      6 LEU  QD2     2.84            #peak 1075
  6 LEU  QB      7 ILE  H       3.85            #peak 466
  6 LEU  QB     45 PHE  HB2     4.61            #peak 2402
  6 LEU  QB     45 PHE  QD      3.57            #peak 110
  7 ILE  H       7 ILE  QG1     3.65            #peak 45
  7 ILE  HA      7 ILE  QG1     3.14            #peak 769
  7 ILE  HA     22 LEU  QQD     4.04            #peak 1308
  7 ILE  QG2    23 ASP  QB      5.34            #peak 2317
  7 ILE  QG1    22 LEU  HG      5.34            #peak 2311
  7 ILE  QD1    23 ASP  QB      3.99            #peak 1363
  7 ILE  QD1    24 SER  QB      4.13            #peak 1616
  8 ASN  H       8 ASN  QD2     4.83            #peak 837
  8 ASN  QD2     9 HIS  HA      4.70            #peak 842
  8 ASN  QD2     9 HIS  QB      4.90            #peak 1859
 10 ILE  HA     13 GLN  QG      4.87            #peak 2099
 10 ILE  HB     13 GLN  QG      3.78            #peak 1055
 10 ILE  QG2    13 GLN  QG      3.63            #peak 1514
 11 ALA  H      22 LEU  QQD     4.21            #peak 1307
 12 THR  H      13 GLN  QG      4.94            #peak 550
 12 THR  HB     13 GLN  QG      4.50            #peak 1909
 13 GLN  H      13 GLN  QG      3.31            #peak 468
 13 GLN  HB2    13 GLN  QE2     4.35            #peak 1967
 13 GLN  QG     14 PHE  H       4.33            #peak 149
 13 GLN  QG     15 LEU  H       5.34            #peak 721
 14 PHE  HA     22 LEU  QQD     5.44            #peak 1991
 14 PHE  QD     22 LEU  QQD     3.11            #peak 36
 15 LEU  HA     16 ASP  QB      4.47            #peak 2149
 16 ASP  H      16 ASP  QB      3.42            #peak 601
 16 ASP  QB     18 GLU  H       4.71            #peak 337
 16 ASP  QB     18 GLU  HB3     4.28            #peak 2126
 16 ASP  QB     18 GLU  HG2     4.61            #peak 1636
 22 LEU  H      22 LEU  QQD     4.58            #peak 135
 22 LEU  HA     22 LEU  QQD     3.11            #peak 136
 22 LEU  HB2    22 LEU  QQD     3.09            #peak 1111
 22 LEU  QQD    23 ASP  H       3.48            #peak 137
 22 LEU  QQD    23 ASP  QB      5.28            #peak 2304
 22 LEU  QQD    26 THR  HB      4.64            #peak 679
 22 LEU  QQD    28 LEU  HB3     4.81            #peak 1221
 22 LEU  QQD    34 VAL  HB      4.18            #peak 1689
 22 LEU  QQD    34 VAL  QG1     3.65            #peak 1449
 23 ASP  QB     25 GLN  H       4.68            #peak 690
 24 SER  HA     67 VAL  QQG     3.52            #peak 1202
 24 SER  QB     25 GLN  H       3.84            #peak 688
 24 SER  QB     25 GLN  QG      4.95            #peak 2170
 24 SER  QB     67 VAL  HB      3.50            #peak 331
 24 SER  QB     67 VAL  QQG     3.59            #peak 143
 25 GLN  H      25 GLN  QB      3.25            #peak 693
 25 GLN  H      67 VAL  QQG     4.43            #peak 2281
 25 GLN  QB     25 GLN  QG      2.26            #peak 888
 25 GLN  QB     26 THR  HA      4.85            #peak 613
 25 GLN  QG     25 GLN  QE2     3.21            #peak 7
 26 THR  HA     28 LEU  QQD     5.27            #peak 1973
 26 THR  HB     28 LEU  QQD     3.83            #peak 1386
 28 LEU  HA     28 LEU  QQD     2.95            #peak 724
 28 LEU  QQD    29 PHE  H       4.31            #peak 428
 28 LEU  QQD    31 LEU  H       5.44            #peak 2338
 28 LEU  QQD    33 ILE  H       4.76            #peak 2337
 28 LEU  QQD    34 VAL  QG1     2.88            #peak 1450
 28 LEU  QQD    64 PHE  HB2     5.44            #peak 2342
 28 LEU  QQD    65 ALA  HA      5.44            #peak 1798
 28 LEU  QQD    66 THR  H       4.57            #peak 581
 28 LEU  QQD    66 THR  HA      3.95            #peak 546
 28 LEU  QQD    70 MET  QE      3.21            #peak 1396
 29 PHE  H      29 PHE  QB      3.08            #peak 421
 29 PHE  H      30 GLU  QB      5.04            #peak 424
 29 PHE  HA     32 ASN  QB      5.22            #peak 2137
 29 PHE  QB     30 GLU  H       3.43            #peak 570
 29 PHE  QB     31 LEU  H       4.99            #peak 833
 29 PHE  QB     65 ALA  HA      4.81            #peak 2054
 29 PHE  QB     65 ALA  QB      4.54            #peak 1906
 30 GLU  H      30 GLU  QB      2.93            #peak 573
 30 GLU  H      30 GLU  QG      4.61            #peak 181
 30 GLU  HA     30 GLU  QG      3.22            #peak 621
 30 GLU  QB     31 LEU  H       3.88            #peak 1663
 30 GLU  QB     31 LEU  HG      4.42            #peak 1530
 30 GLU  QB     31 LEU  QD1     4.50            #peak 927
 30 GLU  QG     31 LEU  H       4.46            #peak 2167
 30 GLU  QG     31 LEU  QD2     4.64            #peak 1866
 31 LEU  HB3    32 ASN  QB      5.28            #peak 2139
 31 LEU  HB3    33 ILE  QG1     3.46            #peak 1106
 32 ASN  H      32 ASN  QB      3.53            #peak 759
 32 ASN  HA     33 ILE  QG1     4.75            #peak 2253
 32 ASN  QB     32 ASN  QD2     3.17            #peak 255
 32 ASN  QB     33 ILE  HA      5.15            #peak 2138
 33 ILE  H      33 ILE  QG1     3.29            #peak 808
 33 ILE  HA     33 ILE  QG1     3.27            #peak 1540
 33 ILE  QG1    34 VAL  H       4.39            #peak 2252
 33 ILE  QG1    34 VAL  QG1     5.34            #peak 2254
 34 VAL  QG1    42 LEU  QQD     3.82            #peak 1246
 35 ASP  QB     36 PNS  H       3.05            #peak 610
 35 ASP  QB     36 PNS  QB      5.06            #peak 1857
 35 ASP  QB     37 ALA  H       3.81            #peak 233
 35 ASP  QB     37 ALA  QB      4.68            #peak 2236
 35 ASP  QB     38 ALA  H       4.19            #peak 501
 35 ASP  QB     38 ALA  QB      4.30            #peak 1923
 36 PNS  HA     39 ILE  QG1     4.22            #peak 1933
 36 PNS  QB     36 PNS  Q28     4.41            #peak 1788
 36 PNS  Q28    36 PNS  Q52     3.42            #peak 488
 36 PNS  Q28    36 PNS  H32     3.77            #peak 1623
 36 PNS  Q28    37 ALA  QB      5.35            #peak 1912
 36 PNS  Q37    56 MET  QG      5.33            #peak 1823
 36 PNS  Q38    56 MET  QG      4.92            #peak 1646
 37 ALA  HA     40 PHE  QB      4.80            #peak 1601
 37 ALA  QB     40 PHE  QB      5.08            #peak 1684
 38 ALA  HA     41 ASP  QB      3.87            #peak 1632
 38 ALA  QB     41 ASP  QB      4.38            #peak 1922
 39 ILE  H      40 PHE  QB      4.99            #peak 336
 39 ILE  HA     42 LEU  QB      3.69            #peak 782
 39 ILE  HA     42 LEU  QQD     3.78            #peak 784
 39 ILE  HB     40 PHE  QB      5.34            #peak 2399
 39 ILE  QG2    42 LEU  QB      4.39            #peak 1735
 39 ILE  QG2    42 LEU  QQD     4.61            #peak 2294
 39 ILE  QG2    43 VAL  QQG     3.06            #peak 1457
 39 ILE  QG2    59 ILE  QG1     4.47            #peak 1990
 39 ILE  QG1    40 PHE  H       4.69            #peak 2348
 39 ILE  QG1    42 LEU  QQD     4.76            #peak 1729
 39 ILE  QG1    61 PRO  HA      5.34            #peak 2349
 39 ILE  QD1    42 LEU  QB      4.14            #peak 1734
 39 ILE  QD1    42 LEU  QQD     3.54            #peak 1245
 39 ILE  QD1    61 PRO  QB      3.99            #peak 1733
 40 PHE  H      40 PHE  QB      3.04            #peak 791
 40 PHE  H      41 ASP  QB      5.04            #peak 1837
 40 PHE  H      43 VAL  QQG     5.44            #peak 793
 40 PHE  HA     43 VAL  QQG     3.35            #peak 1247
 40 PHE  QB     56 MET  QE      4.72            #peak 1883
 41 ASP  H      41 ASP  QB      2.82            #peak 168
 41 ASP  QB     42 LEU  QQD     4.44            #peak 2118
 42 LEU  H      42 LEU  QB      3.53            #peak 239
 42 LEU  H      42 LEU  QQD     3.63            #peak 436
 42 LEU  H      43 VAL  QQG     4.58            #peak 1964
 42 LEU  HA     42 LEU  QQD     3.46            #peak 495
 42 LEU  QB     42 LEU  QQD     2.77            #peak 1241
 42 LEU  QB     43 VAL  H       3.30            #peak 642
 42 LEU  QB     43 VAL  HA      4.66            #peak 1821
 42 LEU  QB     43 VAL  QQG     3.71            #peak 1350
 42 LEU  QB     64 PHE  QD      4.05            #peak 98
 42 LEU  QB     64 PHE  QE      4.44            #peak 126
 42 LEU  QQD    64 PHE  HB3     5.14            #peak 1942
 43 VAL  H      43 VAL  QQG     3.06            #peak 645
 43 VAL  HA     46 LEU  QQD     3.93            #peak 1277
 43 VAL  HA     47 ARG  QD      5.34            #peak 2113
 43 VAL  QQG    44 ASP  H       3.46            #peak 633
 43 VAL  QQG    44 ASP  HA      4.04            #peak 1253
 43 VAL  QQG    44 ASP  HB2     4.65            #peak 2132
 43 VAL  QQG    45 PHE  H       4.63            #peak 470
 43 VAL  QQG    46 LEU  H       5.44            #peak 1944
 43 VAL  QQG    47 ARG  H       5.44            #peak 1944
 43 VAL  QQG    59 ILE  QG2     3.21            #peak 1425
 43 VAL  QQG    64 PHE  HZ      3.05            #peak 149
 44 ASP  H      47 ARG  QD      4.54            #peak 630
 44 ASP  HA     47 ARG  QB      4.56            #peak 937
 44 ASP  HA     47 ARG  QG      4.35            #peak 1894
 45 PHE  H      48 GLN  QE2     5.23            #peak 451
 45 PHE  HA     48 GLN  QE2     3.87            #peak 644
 45 PHE  HB2    46 LEU  QQD     5.44            #peak 2015
 45 PHE  HB2    48 GLN  QE2     4.84            #peak 1756
 45 PHE  HB3    46 LEU  QQD     4.01            #peak 1634
 45 PHE  QD     49 GLU  QG      4.19            #peak 111
 45 PHE  QE     49 GLU  QG      4.51            #peak 2225
 46 LEU  H      46 LEU  QQD     3.30            #peak 409
 46 LEU  HA     46 LEU  QQD     2.90            #peak 1233
 46 LEU  HB2    50 SER  QB      5.34            #peak 2080
 46 LEU  HB3    50 SER  QB      4.51            #peak 2081
 46 LEU  QQD    47 ARG  H       4.88            #peak 410
 46 LEU  QQD    49 GLU  HB2     4.90            #peak 1152
 46 LEU  QQD    50 SER  H       5.31            #peak 222
 46 LEU  QQD    64 PHE  HB3     5.15            #peak 2160
 46 LEU  QQD    64 PHE  QD      3.58            #peak 99
 46 LEU  QQD    64 PHE  HZ      4.43            #peak 1953
 46 LEU  QQD    70 MET  HA      3.95            #peak 703
 46 LEU  QQD    70 MET  HB2     4.40            #peak 1482
 46 LEU  QQD    70 MET  QG      3.53            #peak 1000
 47 ARG  H      47 ARG  QB      3.31            #peak 405
 47 ARG  H      47 ARG  QG      3.66            #peak 271
 47 ARG  H      52 VAL  QQG     5.44            #peak 2430
 47 ARG  HA     47 ARG  QG      3.67            #peak 626
 47 ARG  HA     47 ARG  QD      4.71            #peak 1835
 47 ARG  HA     52 VAL  QQG     3.53            #peak 1371
 47 ARG  QB     47 ARG  QD      3.22            #peak 788
 47 ARG  QB     48 GLN  H       4.18            #peak 1556
 47 ARG  QB     53 SER  HA      3.39            #peak 555
 47 ARG  QB     53 SER  QB      4.76            #peak 2074
 47 ARG  QB     54 ILE  QG2     4.26            #peak 939
 47 ARG  QG     48 GLN  H       4.91            #peak 2199
 47 ARG  QG     54 ILE  QG2     4.34            #peak 982
 47 ARG  QD     48 GLN  H       4.88            #peak 757
 47 ARG  QD     54 ILE  QG2     4.11            #peak 799
 47 ARG  QD     54 ILE  QD1     5.15            #peak 2321
 48 GLN  H      48 GLN  QG      4.03            #peak 277
 48 GLN  HB3    48 GLN  QE2     3.99            #peak 388
 48 GLN  HB3    49 GLU  QG      4.32            #peak 1993
 48 GLN  QG     48 GLN  QE2     3.17            #peak 875
 48 GLN  QG     49 GLU  H       5.12            #peak 512
 49 GLU  H      49 GLU  QG      3.28            #peak 304
 49 GLU  HA     49 GLU  QG      3.05            #peak 280
 50 SER  H      50 SER  QB      3.58            #peak 283
 50 SER  H      52 VAL  QQG     4.15            #peak 1722
 50 SER  H      74 VAL  QQG     5.44            #peak 222
 50 SER  HA     51 LYS  QG      4.62            #peak 2267
 50 SER  HA     51 LYS  QD      5.34            #peak 1767
 50 SER  QB     51 LYS  H       4.05            #peak 356
 50 SER  QB     51 LYS  QG      5.18            #peak 2066
 50 SER  QB     52 VAL  H       4.16            #peak 705
 50 SER  QB     52 VAL  HB      4.39            #peak 1892
 50 SER  QB     52 VAL  QQG     3.41            #peak 1372
 50 SER  QB     74 VAL  QQG     3.01            #peak 1266
 50 SER  QB     78 LYS  QD      4.35            #peak 1808
 51 LYS  H      51 LYS  QG      3.62            #peak 359
 51 LYS  H      51 LYS  QD      3.91            #peak 358
 51 LYS  H      52 VAL  QQG     4.57            #peak 1968
 51 LYS  HA     51 LYS  QG      3.24            #peak 654
 51 LYS  HA     51 LYS  QD      3.52            #peak 653
 51 LYS  QG     51 LYS  QE      3.37            #peak 1142
 51 LYS  QG     52 VAL  H       4.83            #peak 708
 51 LYS  QD     52 VAL  H       5.04            #peak 707
 52 VAL  H      52 VAL  QQG     3.08            #peak 709
 52 VAL  HA     52 VAL  QQG     3.01            #peak 567
 52 VAL  QQG    53 SER  H       3.40            #peak 491
 52 VAL  QQG    53 SER  QB      4.49            #peak 1816
 52 VAL  QQG    54 ILE  H       5.14            #peak 92
 52 VAL  QQG    78 LYS  QE      3.63            #peak 1319
 54 ILE  HA     54 ILE  QG1     3.49            #peak 306
 54 ILE  QG2    55 GLY  QA      5.34            #peak 1806
 54 ILE  QG1    55 GLY  H       4.36            #peak 2408
 54 ILE  QD1    55 GLY  QA      4.84            #peak 1773
 54 ILE  QD1    58 GLU  QB      3.41            #peak 899
 55 GLY  H      58 GLU  QB      4.19            #peak 820
 55 GLY  H      58 GLU  QG      4.66            #peak 2429
 55 GLY  QA     56 MET  H       3.06            #peak 669
 55 GLY  QA     56 MET  QB      4.80            #peak 2063
 55 GLY  QA     56 MET  QG      4.73            #peak 2022
 55 GLY  QA     58 GLU  QG      5.07            #peak 2062
 56 MET  H      56 MET  QG      3.70            #peak 672
 56 MET  QG     56 MET  QE      3.29            #peak 846
 56 MET  QG     59 ILE  QD1     4.61            #peak 2141
 57 GLN  HA     57 GLN  QG      3.70            #peak 514
 58 GLU  H      58 GLU  QB      3.34            #peak 620
 58 GLU  H      58 GLU  QG      3.13            #peak 619
 58 GLU  HA     58 GLU  QG      3.54            #peak 327
 58 GLU  HA     63 ASN  QD2     4.98            #peak 18
 58 GLU  QB     59 ILE  H       4.11            #peak 369
 58 GLU  QB     59 ILE  HA      4.61            #peak 2173
 58 GLU  QB     63 ASN  QD2     4.63            #peak 17
 59 ILE  H      59 ILE  QG1     3.64            #peak 334
 59 ILE  HA     63 ASN  QB      5.27            #peak 2146
 59 ILE  QG2    59 ILE  QG1     3.24            #peak 1424
 59 ILE  QG1    60 HIS  H       4.75            #peak 273
 60 HIS  H      63 ASN  QB      4.17            #peak 270
 60 HIS  H      63 ASN  QD2     4.72            #peak 866
 62 ALA  QB     63 ASN  QB      4.99            #peak 2150
 63 ASN  H      63 ASN  QB      3.19            #peak 256
 63 ASN  H      63 ASN  QD2     5.13            #peak 866
 63 ASN  HA     69 SER  QB      3.87            #peak 1572
 63 ASN  QB     73 LEU  QB      4.15            #peak 1867
 63 ASN  QB     73 LEU  QD1     3.61            #peak 884
 63 ASN  QD2    73 LEU  QD2     3.84            #peak 1337
 64 PHE  HA     70 MET  QG      4.34            #peak 2370
 66 THR  H      69 SER  QB      3.44            #peak 389
 66 THR  HA     69 SER  QB      5.34            #peak 672
 67 VAL  H      67 VAL  QQG     3.36            #peak 378
 67 VAL  HA     67 VAL  QQG     2.74            #peak 715
 67 VAL  QQG    68 GLN  H       3.37            #peak 661
 67 VAL  QQG    68 GLN  HA      3.91            #peak 1212
 67 VAL  QQG    69 SER  H       5.44            #peak 2283
 67 VAL  QQG    70 MET  H       4.95            #peak 421
 67 VAL  QQG    71 VAL  H       4.37            #peak 1700
 68 GLN  H      68 GLN  QG      4.08            #peak 384
 68 GLN  H      71 VAL  QQG     5.44            #peak 1946
 68 GLN  HA     68 GLN  QG      3.52            #peak 1523
 68 GLN  HA     71 VAL  QQG     3.64            #peak 661
 68 GLN  QB     68 GLN  QE2     3.80            #peak 5
 68 GLN  QG     68 GLN  QE2     3.12            #peak 4
 68 GLN  QG     69 SER  H       4.92            #peak 2162
 69 SER  HA     69 SER  QB      2.59            #peak 1504
 69 SER  QB     70 MET  H       3.75            #peak 174
 69 SER  QB     72 ALA  H       5.34            #peak 2417
 70 MET  H      70 MET  QG      3.33            #peak 177
 70 MET  H      71 VAL  QQG     4.28            #peak 1708
 70 MET  HA     70 MET  QG      3.57            #peak 705
 70 MET  HA     73 LEU  QB      4.16            #peak 1925
 70 MET  HA     74 VAL  QQG     5.44            #peak 1809
 70 MET  QG     71 VAL  H       3.84            #peak 480
 71 VAL  H      71 VAL  QQG     2.81            #peak 482
 71 VAL  HA     71 VAL  QQG     2.57            #peak 767
 71 VAL  HA     75 GLN  QG      5.34            #peak 1863
 71 VAL  QQG    72 ALA  H       3.99            #peak 82
 71 VAL  QQG    72 ALA  HA      3.86            #peak 630
 71 VAL  QQG    72 ALA  QB      4.60            #peak 1252
 71 VAL  QQG    75 GLN  H       4.56            #peak 306
 71 VAL  QQG    75 GLN  QG      3.39            #peak 874
 71 VAL  QQG    75 GLN  QE2     3.88            #peak 826
 72 ALA  H      73 LEU  QB      4.81            #peak 490
 72 ALA  HA     75 GLN  QG      4.19            #peak 1645
 72 ALA  QB     75 GLN  QG      4.01            #peak 873
 73 LEU  H      73 LEU  QB      2.89            #peak 578
 73 LEU  QB     73 LEU  QD2     2.91            #peak 1336
 73 LEU  HG     74 VAL  QQG     3.21            #peak 1207
 73 LEU  QD2    74 VAL  QQG     3.43            #peak 1209
 74 VAL  H      74 VAL  QQG     3.02            #peak 420
 74 VAL  H      75 GLN  QG      4.77            #peak 199
 74 VAL  HA     74 VAL  QQG     2.97            #peak 1200
 74 VAL  HA     77 LEU  QB      4.31            #peak 435
 74 VAL  QQG    75 GLN  H       3.40            #peak 1265
 74 VAL  QQG    75 GLN  HA      4.05            #peak 689
 74 VAL  QQG    75 GLN  HB2     5.36            #peak 1880
 74 VAL  QQG    77 LEU  QD2     3.64            #peak 1209
 74 VAL  QQG    78 LYS  QE      4.16            #peak 1267
 75 GLN  HA     75 GLN  QG      3.52            #peak 865
 75 GLN  HB2    75 GLN  QG      2.43            #peak 879
 75 GLN  HB3    75 GLN  QE2     4.47            #peak 21
 75 GLN  QG     76 ARG  H       4.53            #peak 426
 76 ARG  H      76 ARG  QG      3.31            #peak 121
 76 ARG  H      76 ARG  QD      4.15            #peak 119
 76 ARG  HA     76 ARG  QG      3.15            #peak 608
 76 ARG  HA     76 ARG  QD      4.41            #peak 1778
 76 ARG  QB     76 ARG  QD      3.27            #peak 796
 76 ARG  QG     77 LEU  H       4.48            #peak 1900
 77 LEU  QB     77 LEU  QD1     3.06            #peak 1284
 77 LEU  QB     77 LEU  QD2     2.99            #peak 991
 80 HIS  H      80 HIS  QB      3.45            #peak 365
 80 HIS  HA     81 PRO  QD      2.83            #peak 352
 80 HIS  QB     80 HIS  HD2     3.31            #peak 12
 80 HIS  QB     82 GLU  H       4.70            #peak 588
 80 HIS  QB     83 GLN  QB      4.67            #peak 475
 80 HIS  QB     83 GLN  QG      4.04            #peak 877
 81 PRO  QB     82 GLU  H       3.59            #peak 589
 81 PRO  QD     82 GLU  H       4.38            #peak 587
 81 PRO  QD     83 GLN  QG      5.35            #peak 1863
 82 GLU  H      82 GLU  QB      3.11            #peak 590
 82 GLU  H      82 GLU  QG      4.77            #peak 468
 82 GLU  QG     83 GLN  H       4.09            #peak 535
 83 GLN  H      83 GLN  QB      3.53            #peak 536
 83 GLN  QB     84 GLY  QA      4.44            #peak 2056
 88 LEU  H      88 LEU  QB      3.54            #peak 104
 88 LEU  H      88 LEU  QQD     4.36            #peak 106
 88 LEU  HA     88 LEU  QQD     3.02            #peak 487
 88 LEU  QB     88 LEU  QQD     2.77            #peak 1053
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1          1H        MET   1   0.253  14.583   3.272
    2    H2   MET   1          2H        MET   1   1.785  13.918   3.055
    3    H3   MET   1          3H        MET   1   0.449  12.905   3.216
    4    HA   MET   1           HA       MET   1  -0.481  13.708   1.162
    5    HB2  MET   1          2HB       MET   1   0.774  15.205  -0.320
    6    HB3  MET   1          1HB       MET   1   0.507  15.989   1.231
    7    HG2  MET   1          2HG       MET   1   2.820  15.469   1.898
    8    HG3  MET   1          1HG       MET   1   3.087  14.672   0.347
    9    HE1  MET   1          1HE       MET   1   2.466  19.228   0.872
   10    HE2  MET   1          2HE       MET   1   2.608  18.092   2.213
   11    HE3  MET   1          3HE       MET   1   1.167  18.079   1.193
   12    H    LEU   2           H        LEU   2   2.418  12.341   2.295
   13    HA   LEU   2           HA       LEU   2   3.513  11.173  -0.046
   14    HB2  LEU   2          2HB       LEU   2   4.599  11.425   2.262
   15    HB3  LEU   2          1HB       LEU   2   3.606  10.082   2.800
   16    HG   LEU   2           HG       LEU   2   4.712   8.662   0.986
   17   HD11  LEU   2          1HD1      LEU   2   5.494  10.440  -0.479
   18   HD12  LEU   2          2HD1      LEU   2   6.849   9.440   0.043
   19   HD13  LEU   2          3HD1      LEU   2   6.598  11.029   0.770
   20   HD21  LEU   2          1HD2      LEU   2   6.555   9.744   3.143
   21   HD22  LEU   2          2HD2      LEU   2   6.755   8.226   2.263
   22   HD23  LEU   2          3HD2      LEU   2   5.375   8.443   3.337
   23    H    GLU   3           H        GLU   3   0.918  10.383   2.057
   24    HA   GLU   3           HA       GLU   3   0.491   7.648   1.454
   25    HB2  GLU   3          2HB       GLU   3  -1.582   9.626   2.517
   26    HB3  GLU   3          1HB       GLU   3  -1.566   7.880   2.723
   27    HG2  GLU   3          2HG       GLU   3  -0.789   8.452   4.803
   28    HG3  GLU   3          1HG       GLU   3   0.758   8.415   3.970
   29    H    SER   4           H        SER   4  -0.657  10.678   0.031
   30    HA   SER   4           HA       SER   4  -2.523   9.363  -1.776
   31    HB2  SER   4          2HB       SER   4  -2.849  11.679  -2.690
   32    HB3  SER   4          1HB       SER   4  -3.109  11.589  -0.951
   33    HG   SER   4           HG       SER   4  -1.034  12.795  -2.393
   34    H    LYS   5           H        LYS   5   0.871  10.111  -1.734
   35    HA   LYS   5           HA       LYS   5   1.290  10.264  -4.564
   36    HB2  LYS   5          2HB       LYS   5   3.293   9.618  -2.364
   37    HB3  LYS   5          1HB       LYS   5   3.714   9.973  -4.040
   38    HG2  LYS   5          2HG       LYS   5   2.421  11.871  -2.061
   39    HG3  LYS   5          1HG       LYS   5   4.088  11.930  -2.630
   40    HD2  LYS   5          2HD       LYS   5   1.635  12.309  -4.405
   41    HD3  LYS   5          1HD       LYS   5   2.590  13.622  -3.721
   42    HE2  LYS   5          2HE       LYS   5   3.625  11.528  -5.668
   43    HE3  LYS   5          1HE       LYS   5   3.193  13.189  -6.078
   44    HZ1  LYS   5          1HZ       LYS   5   4.936  13.987  -4.653
   45    HZ2  LYS   5          2HZ       LYS   5   5.583  12.876  -5.747
   46    HZ3  LYS   5          3HZ       LYS   5   5.308  12.420  -4.149
   47    H    LEU   6           H        LEU   6   1.343   7.597  -2.209
   48    HA   LEU   6           HA       LEU   6   2.212   5.591  -4.081
   49    HB2  LEU   6          2HB       LEU   6   1.586   3.931  -2.366
   50    HB3  LEU   6          1HB       LEU   6   2.571   5.221  -1.714
   51    HG   LEU   6           HG       LEU   6   0.149   6.200  -1.021
   52   HD11  LEU   6          1HD1      LEU   6  -1.367   4.455  -0.219
   53   HD12  LEU   6          2HD1      LEU   6  -0.350   3.212  -0.953
   54   HD13  LEU   6          3HD1      LEU   6  -1.176   4.394  -1.971
   55   HD21  LEU   6          1HD2      LEU   6   0.483   5.331   1.230
   56   HD22  LEU   6          2HD2      LEU   6   2.015   5.835   0.521
   57   HD23  LEU   6          3HD2      LEU   6   1.617   4.117   0.621
   58    H    ILE   7           H        ILE   7  -0.878   6.989  -3.192
   59    HA   ILE   7           HA       ILE   7  -2.611   5.115  -4.437
   60    HB   ILE   7           HB       ILE   7  -3.015   8.088  -3.885
   61   HG12  ILE   7          2HG1      ILE   7  -2.742   6.757  -1.835
   62   HG13  ILE   7          1HG1      ILE   7  -4.416   7.280  -1.972
   63   HG21  ILE   7          1HG2      ILE   7  -5.460   7.707  -4.239
   64   HG22  ILE   7          2HG2      ILE   7  -5.115   6.060  -4.777
   65   HG23  ILE   7          3HG2      ILE   7  -4.528   7.431  -5.716
   66   HD11  ILE   7          1HD1      ILE   7  -4.252   4.992  -1.194
   67   HD12  ILE   7          2HD1      ILE   7  -3.368   4.534  -2.650
   68   HD13  ILE   7          3HD1      ILE   7  -5.053   5.062  -2.763
   69    H    ASN   8           H        ASN   8  -1.524   8.331  -5.588
   70    HA   ASN   8           HA       ASN   8  -2.792   8.124  -8.109
   71    HB2  ASN   8          2HB       ASN   8  -1.925  10.243  -8.639
   72    HB3  ASN   8          1HB       ASN   8  -2.036  10.276  -6.890
   73   HD21  ASN   8          1HD2      ASN   8   0.090  10.272  -9.638
   74   HD22  ASN   8          2HD2      ASN   8   1.549  10.629  -8.774
   75    H    HIS   9           H        HIS   9   0.280   7.027  -6.980
   76    HA   HIS   9           HA       HIS   9   1.749   6.647  -9.302
   77    HB2  HIS   9          2HB       HIS   9   2.580   6.203  -6.988
   78    HB3  HIS   9          1HB       HIS   9   1.585   4.757  -6.916
   79    HD1  HIS   9           HD1      HIS   9   4.960   5.711  -7.531
   80    HD2  HIS   9           HD2      HIS   9   2.421   2.899  -9.207
   81    HE1  HIS   9           HE1      HIS   9   6.449   4.059  -8.670
   82    HE2  HIS   9           HE2      HIS   9   4.891   2.231  -9.427
   83    H    ILE  10           H        ILE  10  -0.370   4.144  -7.744
   84    HA   ILE  10           HA       ILE  10  -0.421   2.633 -10.233
   85    HB   ILE  10           HB       ILE  10  -1.672   0.893  -9.046
   86   HG12  ILE  10          2HG1      ILE  10  -1.450   1.329  -6.303
   87   HG13  ILE  10          1HG1      ILE  10  -1.916   2.926  -6.867
   88   HG21  ILE  10          1HG2      ILE  10   0.728   0.763  -9.155
   89   HG22  ILE  10          2HG2      ILE  10   0.167   0.110  -7.614
   90   HG23  ILE  10          3HG2      ILE  10   0.891   1.718  -7.678
   91   HD11  ILE  10          1HD1      ILE  10  -3.831   1.702  -6.208
   92   HD12  ILE  10          2HD1      ILE  10  -3.394   0.342  -7.241
   93   HD13  ILE  10          3HD1      ILE  10  -3.870   1.885  -7.963
   94    H    ALA  11           H        ALA  11  -2.619   4.776  -8.539
   95    HA   ALA  11           HA       ALA  11  -5.039   4.348  -9.749
   96    HB1  ALA  11          1HB       ALA  11  -5.511   6.731  -9.458
   97    HB2  ALA  11          2HB       ALA  11  -3.788   7.064  -9.258
   98    HB3  ALA  11          3HB       ALA  11  -4.642   6.101  -8.053
   99    H    THR  12           H        THR  12  -2.086   5.454 -11.258
  100    HA   THR  12           HA       THR  12  -3.172   6.510 -13.668
  101    HB   THR  12           HB       THR  12  -0.434   5.272 -13.249
  102    HG1  THR  12           HG1      THR  12  -0.100   6.910 -11.981
  103   HG21  THR  12          1HG2      THR  12  -1.388   7.347 -15.269
  104   HG22  THR  12          2HG2      THR  12  -0.964   5.674 -15.640
  105   HG23  THR  12          3HG2      THR  12   0.277   6.794 -15.073
  106    H    GLN  13           H        GLN  13  -1.791   3.328 -12.826
  107    HA   GLN  13           HA       GLN  13  -2.354   2.187 -15.458
  108    HB2  GLN  13          2HB       GLN  13  -1.281   0.132 -14.540
  109    HB3  GLN  13          1HB       GLN  13  -0.266   1.560 -14.355
  110    HG2  GLN  13          2HG       GLN  13  -0.972   1.729 -11.975
  111    HG3  GLN  13          1HG       GLN  13  -1.924   0.263 -12.171
  112   HE21  GLN  13          1HE2      GLN  13   1.302   1.583 -11.915
  113   HE22  GLN  13          2HE2      GLN  13   2.115   0.075 -11.669
  114    H    PHE  14           H        PHE  14  -3.974   2.440 -12.468
  115    HA   PHE  14           HA       PHE  14  -5.629   0.048 -12.881
  116    HB2  PHE  14          2HB       PHE  14  -4.728   1.595 -10.458
  117    HB3  PHE  14          1HB       PHE  14  -6.357   0.904 -10.376
  118    HD1  PHE  14           HD1      PHE  14  -5.460  -0.405  -8.413
  119    HD2  PHE  14           HD2      PHE  14  -3.898  -0.965 -12.364
  120    HE1  PHE  14           HE1      PHE  14  -4.520  -2.559  -7.753
  121    HE2  PHE  14           HE2      PHE  14  -2.958  -3.115 -11.684
  122    HZ   PHE  14           HZ       PHE  14  -3.266  -3.924  -9.379
  123    H    LEU  15           H        LEU  15  -5.829   3.569 -12.662
  124    HA   LEU  15           HA       LEU  15  -8.773   3.425 -13.111
  125    HB2  LEU  15          2HB       LEU  15  -7.376   5.533 -11.423
  126    HB3  LEU  15          1HB       LEU  15  -9.105   5.295 -11.615
  127    HG   LEU  15           HG       LEU  15  -7.190   3.472 -10.085
  128   HD11  LEU  15          1HD1      LEU  15  -7.635   5.577  -8.949
  129   HD12  LEU  15          2HD1      LEU  15  -8.384   4.232  -8.104
  130   HD13  LEU  15          3HD1      LEU  15  -9.380   5.323  -9.072
  131   HD21  LEU  15          1HD2      LEU  15 -10.221   3.199 -10.433
  132   HD22  LEU  15          2HD2      LEU  15  -9.203   2.230  -9.362
  133   HD23  LEU  15          3HD2      LEU  15  -8.986   2.126 -11.103
  134    H    ASP  16           H        ASP  16  -6.194   4.048 -14.832
  135    HA   ASP  16           HA       ASP  16  -5.763   5.262 -16.720
  136    HB2  ASP  16          2HB       ASP  16  -8.326   4.929 -17.024
  137    HB3  ASP  16          1HB       ASP  16  -8.519   6.549 -16.403
  138    H    GLY  17           H        GLY  17  -5.263   6.327 -13.950
  139    HA2  GLY  17          2HA       GLY  17  -4.013   8.158 -13.241
  140    HA3  GLY  17          1HA       GLY  17  -4.482   9.057 -14.669
  141    H    GLU  18           H        GLU  18  -7.232   7.729 -13.259
  142    HA   GLU  18           HA       GLU  18  -7.980  10.317 -12.052
  143    HB2  GLU  18          2HB       GLU  18 -10.170   9.861 -12.632
  144    HB3  GLU  18          1HB       GLU  18  -9.370   8.866 -13.852
  145    HG2  GLU  18          2HG       GLU  18  -9.702   6.881 -12.355
  146    HG3  GLU  18          1HG       GLU  18 -10.635   7.904 -11.261
  147    H    LYS  19           H        LYS  19  -8.686  10.441  -9.864
  148    HA   LYS  19           HA       LYS  19  -8.246   8.029  -8.187
  149    HB2  LYS  19          2HB       LYS  19  -8.470  10.921  -7.304
  150    HB3  LYS  19          1HB       LYS  19  -8.162   9.531  -6.258
  151    HG2  LYS  19          2HG       LYS  19  -6.074   9.159  -7.870
  152    HG3  LYS  19          1HG       LYS  19  -6.309  10.876  -8.227
  153    HD2  LYS  19          2HD       LYS  19  -5.867   9.663  -5.474
  154    HD3  LYS  19          1HD       LYS  19  -4.657  10.524  -6.424
  155    HE2  LYS  19          2HE       LYS  19  -5.923  12.602  -6.228
  156    HE3  LYS  19          1HE       LYS  19  -7.242  11.759  -5.411
  157    HZ1  LYS  19          1HZ       LYS  19  -4.489  11.904  -4.341
  158    HZ2  LYS  19          2HZ       LYS  19  -5.886  11.353  -3.555
  159    HZ3  LYS  19          3HZ       LYS  19  -5.723  12.989  -3.941
  160    H    ASP  20           H        ASP  20 -10.092   6.906  -8.024
  161    HA   ASP  20           HA       ASP  20 -12.321   8.071  -6.654
  162    HB2  ASP  20          2HB       ASP  20 -12.810   8.708  -9.038
  163    HB3  ASP  20          1HB       ASP  20 -12.855   6.993  -9.461
  164    H    GLY  21           H        GLY  21 -12.765   6.597  -5.170
  165    HA2  GLY  21          2HA       GLY  21 -13.418   4.538  -4.267
  166    HA3  GLY  21          1HA       GLY  21 -12.934   3.721  -5.747
  167    H    LEU  22           H        LEU  22 -10.409   5.560  -5.376
  168    HA   LEU  22           HA       LEU  22  -8.899   3.751  -3.594
  169    HB2  LEU  22          2HB       LEU  22  -8.563   3.229  -5.998
  170    HB3  LEU  22          1HB       LEU  22  -8.106   4.893  -6.289
  171    HG   LEU  22           HG       LEU  22  -6.137   4.480  -4.659
  172   HD11  LEU  22          1HD1      LEU  22  -6.845   1.573  -5.182
  173   HD12  LEU  22          2HD1      LEU  22  -6.950   2.405  -3.629
  174   HD13  LEU  22          3HD1      LEU  22  -5.379   2.163  -4.388
  175   HD21  LEU  22          1HD2      LEU  22  -4.732   3.585  -6.426
  176   HD22  LEU  22          2HD2      LEU  22  -5.893   4.720  -7.108
  177   HD23  LEU  22          3HD2      LEU  22  -6.142   2.980  -7.299
  178    H    ASP  23           H        ASP  23  -8.521   5.073  -1.923
  179    HA   ASP  23           HA       ASP  23  -6.424   6.971  -2.270
  180    HB2  ASP  23          2HB       ASP  23  -8.834   8.251  -2.365
  181    HB3  ASP  23          1HB       ASP  23  -8.633   8.193  -0.618
  182    H    SER  24           H        SER  24  -5.996   7.889   0.194
  183    HA   SER  24           HA       SER  24  -4.831   5.602   1.320
  184    HB2  SER  24          2HB       SER  24  -5.176   8.335   2.630
  185    HB3  SER  24          1HB       SER  24  -3.875   7.167   2.906
  186    HG   SER  24           HG       SER  24  -3.385   7.470   0.600
  187    H    GLN  25           H        GLN  25  -7.556   7.601   2.483
  188    HA   GLN  25           HA       GLN  25  -7.996   5.877   4.821
  189    HB2  GLN  25          2HB       GLN  25  -9.326   8.473   3.946
  190    HB3  GLN  25          1HB       GLN  25  -9.673   7.621   5.449
  191    HG2  GLN  25          2HG       GLN  25  -7.366   7.972   6.212
  192    HG3  GLN  25          1HG       GLN  25  -6.968   8.775   4.692
  193   HE21  GLN  25          1HE2      GLN  25  -6.820   9.780   7.428
  194   HE22  GLN  25          2HE2      GLN  25  -7.788  11.208   7.473
  195    H    THR  26           H        THR  26  -9.005   6.023   1.642
  196    HA   THR  26           HA       THR  26 -11.721   5.174   1.883
  197    HB   THR  26           HB       THR  26  -9.861   4.796  -0.512
  198    HG1  THR  26           HG1      THR  26 -10.712   6.885  -1.143
  199   HG21  THR  26          1HG2      THR  26 -12.070   3.669  -0.668
  200   HG22  THR  26          2HG2      THR  26 -11.928   5.000  -1.825
  201   HG23  THR  26          3HG2      THR  26 -12.866   5.210  -0.341
  202    HA   PRO  27           HA       PRO  27 -10.736   0.905   3.011
  203    HB2  PRO  27          2HB       PRO  27 -13.143  -0.287   2.507
  204    HB3  PRO  27          1HB       PRO  27 -12.896   0.804   3.895
  205    HG2  PRO  27          2HG       PRO  27 -14.092   1.447   1.204
  206    HG3  PRO  27          1HG       PRO  27 -14.703   1.866   2.817
  207    HD2  PRO  27          2HD       PRO  27 -13.337   3.654   1.352
  208    HD3  PRO  27          1HD       PRO  27 -13.141   3.589   3.114
  209    H    LEU  28           H        LEU  28  -9.236   0.283   1.519
  210    HA   LEU  28           HA       LEU  28  -9.656  -0.051  -1.263
  211    HB2  LEU  28          2HB       LEU  28  -7.505  -1.382   0.433
  212    HB3  LEU  28          1HB       LEU  28  -7.441  -1.081  -1.293
  213    HG   LEU  28           HG       LEU  28  -7.320   1.016   0.914
  214   HD11  LEU  28          1HD1      LEU  28  -5.233  -0.219   0.676
  215   HD12  LEU  28          2HD1      LEU  28  -5.038   1.443   0.127
  216   HD13  LEU  28          3HD1      LEU  28  -5.185   0.138  -1.055
  217   HD21  LEU  28          1HD2      LEU  28  -7.305   1.465  -2.094
  218   HD22  LEU  28          2HD2      LEU  28  -6.964   2.694  -0.874
  219   HD23  LEU  28          3HD2      LEU  28  -8.563   1.963  -0.958
  220    H    PHE  29           H        PHE  29 -10.122  -2.160   1.466
  221    HA   PHE  29           HA       PHE  29 -10.377  -4.604  -0.013
  222    HB2  PHE  29          2HB       PHE  29 -10.358  -3.808   2.832
  223    HB3  PHE  29          1HB       PHE  29 -11.541  -5.071   2.513
  224    HD1  PHE  29           HD1      PHE  29  -8.188  -4.471   0.956
  225    HD2  PHE  29           HD2      PHE  29 -10.580  -7.050   3.395
  226    HE1  PHE  29           HE1      PHE  29  -6.420  -6.149   0.938
  227    HE2  PHE  29           HE2      PHE  29  -8.784  -8.727   3.367
  228    HZ   PHE  29           HZ       PHE  29  -6.703  -8.277   2.135
  229    H    GLU  30           H        GLU  30 -12.723  -2.451   1.630
  230    HA   GLU  30           HA       GLU  30 -15.020  -4.022   1.103
  231    HB2  GLU  30          2HB       GLU  30 -14.841  -1.027   1.636
  232    HB3  GLU  30          1HB       GLU  30 -16.328  -1.973   1.702
  233    HG2  GLU  30          2HG       GLU  30 -13.911  -2.358   3.503
  234    HG3  GLU  30          1HG       GLU  30 -15.398  -1.523   3.947
  235    H    LEU  31           H        LEU  31 -13.407  -1.544  -0.755
  236    HA   LEU  31           HA       LEU  31 -15.480  -1.562  -2.854
  237    HB2  LEU  31          2HB       LEU  31 -12.973   0.139  -2.678
  238    HB3  LEU  31          1HB       LEU  31 -14.334   0.371  -3.765
  239    HG   LEU  31           HG       LEU  31 -14.302   0.786  -0.755
  240   HD11  LEU  31          1HD1      LEU  31 -14.741   2.762  -3.002
  241   HD12  LEU  31          2HD1      LEU  31 -13.282   2.588  -2.027
  242   HD13  LEU  31          3HD1      LEU  31 -14.785   3.116  -1.272
  243   HD21  LEU  31          1HD2      LEU  31 -16.469  -0.219  -1.362
  244   HD22  LEU  31          2HD2      LEU  31 -16.715   1.003  -2.613
  245   HD23  LEU  31          3HD2      LEU  31 -16.674   1.473  -0.912
  246    H    ASN  32           H        ASN  32 -12.375  -2.879  -2.118
  247    HA   ASN  32           HA       ASN  32 -11.077  -4.445  -3.098
  248    HB2  ASN  32          2HB       ASN  32 -13.377  -5.540  -3.370
  249    HB3  ASN  32          1HB       ASN  32 -13.401  -4.931  -5.022
  250   HD21  ASN  32          1HD2      ASN  32 -13.395  -6.910  -6.048
  251   HD22  ASN  32          2HD2      ASN  32 -12.085  -8.034  -5.958
  252    H    ILE  33           H        ILE  33 -10.820  -1.731  -4.023
  253    HA   ILE  33           HA       ILE  33 -10.829  -1.562  -6.885
  254    HB   ILE  33           HB       ILE  33  -9.547   0.285  -4.837
  255   HG12  ILE  33          2HG1      ILE  33 -11.996   0.049  -4.519
  256   HG13  ILE  33          1HG1      ILE  33 -11.589   1.664  -5.075
  257   HG21  ILE  33          1HG2      ILE  33 -10.147   0.794  -7.781
  258   HG22  ILE  33          2HG2      ILE  33  -8.547   0.683  -7.045
  259   HG23  ILE  33          3HG2      ILE  33  -9.616   2.027  -6.636
  260   HD11  ILE  33          1HD1      ILE  33 -13.587   0.861  -6.145
  261   HD12  ILE  33          2HD1      ILE  33 -12.734  -0.554  -6.761
  262   HD13  ILE  33          3HD1      ILE  33 -12.305   1.060  -7.339
  263    H    VAL  34           H        VAL  34  -8.207  -1.666  -4.482
  264    HA   VAL  34           HA       VAL  34  -6.184  -1.942  -6.560
  265    HB   VAL  34           HB       VAL  34  -5.713  -0.572  -4.533
  266   HG11  VAL  34          1HG1      VAL  34  -5.638  -3.190  -2.987
  267   HG12  VAL  34          2HG1      VAL  34  -6.858  -1.928  -2.807
  268   HG13  VAL  34          3HG1      VAL  34  -5.182  -1.604  -2.356
  269   HG21  VAL  34          1HG2      VAL  34  -3.808  -2.913  -4.890
  270   HG22  VAL  34          2HG2      VAL  34  -3.397  -1.369  -4.139
  271   HG23  VAL  34          3HG2      VAL  34  -3.829  -1.431  -5.850
  272    H    ASP  35           H        ASP  35  -5.291  -3.799  -7.203
  273    HA   ASP  35           HA       ASP  35  -6.167  -6.361  -6.156
  274    HB2  ASP  35          2HB       ASP  35  -4.221  -5.674  -8.405
  275    HB3  ASP  35          1HB       ASP  35  -4.795  -7.295  -8.024
  276    H    SER  36           H        SER  36  -4.540  -8.041  -5.709
  277    HA   SER  36           HA       SER  36  -2.690  -7.250  -3.727
  278    HB2  SER  36          2HB       SER  36  -2.218  -9.554  -3.438
  279    HB3  SER  36          1HB       SER  36  -3.908  -9.516  -3.961
  280    H    ALA  37           H        ALA  37  -2.458  -7.733  -7.156
  281    HA   ALA  37           HA       ALA  37   0.267  -8.026  -7.634
  282    HB1  ALA  37          1HB       ALA  37  -0.228  -7.112  -9.877
  283    HB2  ALA  37          2HB       ALA  37  -1.794  -6.537  -9.295
  284    HB3  ALA  37          3HB       ALA  37  -1.458  -8.267  -9.360
  285    H    ALA  38           H        ALA  38  -1.629  -5.022  -7.187
  286    HA   ALA  38           HA       ALA  38   0.624  -3.253  -7.623
  287    HB1  ALA  38          1HB       ALA  38  -1.605  -2.502  -8.251
  288    HB2  ALA  38          2HB       ALA  38  -0.941  -1.437  -7.009
  289    HB3  ALA  38          3HB       ALA  38  -2.150  -2.653  -6.584
  290    H    ILE  39           H        ILE  39  -0.664  -4.964  -4.909
  291    HA   ILE  39           HA       ILE  39   0.179  -3.375  -2.751
  292    HB   ILE  39           HB       ILE  39   0.078  -6.408  -3.004
  293   HG12  ILE  39          2HG1      ILE  39  -2.102  -5.386  -3.288
  294   HG13  ILE  39          1HG1      ILE  39  -2.061  -6.188  -1.727
  295   HG21  ILE  39          1HG2      ILE  39   0.104  -6.545  -0.521
  296   HG22  ILE  39          2HG2      ILE  39   0.451  -4.816  -0.446
  297   HG23  ILE  39          3HG2      ILE  39   1.622  -5.917  -1.180
  298   HD11  ILE  39          1HD1      ILE  39  -1.824  -3.220  -2.214
  299   HD12  ILE  39          2HD1      ILE  39  -1.758  -4.013  -0.641
  300   HD13  ILE  39          3HD1      ILE  39  -3.232  -4.085  -1.599
  301    H    PHE  40           H        PHE  40   1.949  -5.687  -4.781
  302    HA   PHE  40           HA       PHE  40   4.445  -5.711  -3.489
  303    HB2  PHE  40          2HB       PHE  40   3.801  -7.304  -5.263
  304    HB3  PHE  40          1HB       PHE  40   3.757  -6.007  -6.449
  305    HD1  PHE  40           HD1      PHE  40   6.099  -7.780  -4.106
  306    HD2  PHE  40           HD2      PHE  40   5.715  -5.528  -7.732
  307    HE1  PHE  40           HE1      PHE  40   8.460  -8.215  -4.635
  308    HE2  PHE  40           HE2      PHE  40   8.074  -5.971  -8.249
  309    HZ   PHE  40           HZ       PHE  40   9.452  -7.315  -6.706
  310    H    ASP  41           H        ASP  41   3.017  -3.352  -5.685
  311    HA   ASP  41           HA       ASP  41   5.403  -1.781  -6.078
  312    HB2  ASP  41          2HB       ASP  41   3.568  -1.845  -7.763
  313    HB3  ASP  41          1HB       ASP  41   2.475  -1.096  -6.605
  314    H    LEU  42           H        LEU  42   2.421  -1.430  -4.140
  315    HA   LEU  42           HA       LEU  42   2.951   1.021  -2.870
  316    HB2  LEU  42          2HB       LEU  42   1.378  -1.348  -1.772
  317    HB3  LEU  42          1HB       LEU  42   1.282   0.300  -1.170
  318    HG   LEU  42           HG       LEU  42   0.364  -0.657  -3.914
  319   HD11  LEU  42          1HD1      LEU  42  -1.293   0.239  -1.535
  320   HD12  LEU  42          2HD1      LEU  42  -1.132  -1.411  -2.143
  321   HD13  LEU  42          3HD1      LEU  42  -1.909  -0.183  -3.137
  322   HD21  LEU  42          1HD2      LEU  42   1.215   1.631  -4.086
  323   HD22  LEU  42          2HD2      LEU  42   0.195   2.143  -2.740
  324   HD23  LEU  42          3HD2      LEU  42  -0.539   1.613  -4.255
  325    H    VAL  43           H        VAL  43   3.916  -2.240  -2.103
  326    HA   VAL  43           HA       VAL  43   5.149  -2.010   0.381
  327    HB   VAL  43           HB       VAL  43   5.759  -3.739  -2.039
  328   HG11  VAL  43          1HG1      VAL  43   7.319  -5.111  -0.668
  329   HG12  VAL  43          2HG1      VAL  43   7.213  -3.913   0.621
  330   HG13  VAL  43          3HG1      VAL  43   7.932  -3.477  -0.926
  331   HG21  VAL  43          1HG2      VAL  43   4.686  -4.494   0.680
  332   HG22  VAL  43          2HG2      VAL  43   4.848  -5.545  -0.725
  333   HG23  VAL  43          3HG2      VAL  43   3.702  -4.211  -0.755
  334    H    ASP  44           H        ASP  44   6.604  -1.701  -2.890
  335    HA   ASP  44           HA       ASP  44   9.227  -1.278  -2.025
  336    HB2  ASP  44          2HB       ASP  44   8.474  -1.805  -4.407
  337    HB3  ASP  44          1HB       ASP  44   8.088  -0.114  -4.600
  338    H    PHE  45           H        PHE  45   6.584   0.919  -2.606
  339    HA   PHE  45           HA       PHE  45   7.955   3.344  -2.496
  340    HB2  PHE  45          2HB       PHE  45   5.633   3.012  -3.366
  341    HB3  PHE  45          1HB       PHE  45   5.068   2.718  -1.729
  342    HD1  PHE  45           HD1      PHE  45   6.172   5.297  -4.133
  343    HD2  PHE  45           HD2      PHE  45   4.821   4.603  -0.123
  344    HE1  PHE  45           HE1      PHE  45   5.728   7.702  -3.850
  345    HE2  PHE  45           HE2      PHE  45   4.383   7.002   0.132
  346    HZ   PHE  45           HZ       PHE  45   4.837   8.548  -1.725
  347    H    LEU  46           H        LEU  46   6.152   1.565   0.046
  348    HA   LEU  46           HA       LEU  46   6.613   3.390   2.174
  349    HB2  LEU  46          2HB       LEU  46   5.894   0.440   2.284
  350    HB3  LEU  46          1HB       LEU  46   5.817   1.534   3.657
  351    HG   LEU  46           HG       LEU  46   4.085   1.638   1.155
  352   HD11  LEU  46          1HD1      LEU  46   2.224   1.125   2.656
  353   HD12  LEU  46          2HD1      LEU  46   3.336   0.993   4.020
  354   HD13  LEU  46          3HD1      LEU  46   3.441  -0.151   2.679
  355   HD21  LEU  46          1HD2      LEU  46   4.553   3.933   1.883
  356   HD22  LEU  46          2HD2      LEU  46   4.066   3.540   3.534
  357   HD23  LEU  46          3HD2      LEU  46   2.875   3.515   2.231
  358    H    ARG  47           H        ARG  47   8.198   0.276   1.417
  359    HA   ARG  47           HA       ARG  47   9.938   0.252   3.642
  360    HB2  ARG  47          2HB       ARG  47  11.178  -1.532   2.475
  361    HB3  ARG  47          1HB       ARG  47   9.446  -1.820   2.421
  362    HG2  ARG  47          2HG       ARG  47   9.304  -1.378   0.120
  363    HG3  ARG  47          1HG       ARG  47  10.821  -0.483   0.089
  364    HD2  ARG  47          2HD       ARG  47  10.685  -3.467   0.624
  365    HD3  ARG  47          1HD       ARG  47  10.855  -2.790  -1.000
  366    HE   ARG  47           HE       ARG  47  12.854  -2.788   1.138
  367   HH11  ARG  47          1HH1      ARG  47  12.034  -1.618  -2.105
  368   HH12  ARG  47          2HH1      ARG  47  13.680  -1.240  -2.496
  369   HH21  ARG  47          1HH2      ARG  47  15.011  -2.308   0.551
  370   HH22  ARG  47          2HH2      ARG  47  15.345  -1.627  -1.009
  371    H    GLN  48           H        GLN  48  10.210   1.697   0.448
  372    HA   GLN  48           HA       GLN  48  13.015   2.203   0.454
  373    HB2  GLN  48          2HB       GLN  48  11.779   2.151  -1.632
  374    HB3  GLN  48          1HB       GLN  48  10.719   3.450  -1.104
  375    HG2  GLN  48          2HG       GLN  48  12.696   4.991  -1.133
  376    HG3  GLN  48          1HG       GLN  48  13.662   3.668  -1.780
  377   HE21  GLN  48          1HE2      GLN  48  10.307   4.300  -2.669
  378   HE22  GLN  48          2HE2      GLN  48  10.646   4.727  -4.303
  379    H    GLU  49           H        GLU  49  10.163   4.251   1.135
  380    HA   GLU  49           HA       GLU  49  11.588   6.605   1.816
  381    HB2  GLU  49          2HB       GLU  49   8.784   5.766   2.665
  382    HB3  GLU  49          1HB       GLU  49   9.440   7.399   2.783
  383    HG2  GLU  49          2HG       GLU  49   8.689   5.850   0.300
  384    HG3  GLU  49          1HG       GLU  49   8.045   7.390   0.858
  385    H    SER  50           H        SER  50  10.257   3.971   3.775
  386    HA   SER  50           HA       SER  50  11.154   5.097   6.290
  387    HB2  SER  50          2HB       SER  50   9.044   3.590   5.838
  388    HB3  SER  50          1HB       SER  50  10.177   2.243   5.994
  389    HG   SER  50           HG       SER  50   9.013   3.661   7.901
  390    H    LYS  51           H        LYS  51  12.791   3.476   3.858
  391    HA   LYS  51           HA       LYS  51  14.891   2.711   3.613
  392    HB2  LYS  51          2HB       LYS  51  15.281   3.878   6.401
  393    HB3  LYS  51          1HB       LYS  51  16.601   3.389   5.344
  394    HG2  LYS  51          2HG       LYS  51  14.575   5.582   4.739
  395    HG3  LYS  51          1HG       LYS  51  16.230   5.839   5.305
  396    HD2  LYS  51          2HD       LYS  51  17.140   4.877   3.253
  397    HD3  LYS  51          1HD       LYS  51  15.527   4.412   2.706
  398    HE2  LYS  51          2HE       LYS  51  16.452   7.276   3.114
  399    HE3  LYS  51          1HE       LYS  51  16.386   6.441   1.560
  400    HZ1  LYS  51          1HZ       LYS  51  14.061   6.956   3.331
  401    HZ2  LYS  51          2HZ       LYS  51  14.017   6.170   1.836
  402    HZ3  LYS  51          3HZ       LYS  51  14.439   7.799   1.919
  403    H    VAL  52           H        VAL  52  12.844   0.986   4.812
  404    HA   VAL  52           HA       VAL  52  14.462  -1.035   6.260
  405    HB   VAL  52           HB       VAL  52  12.186  -1.894   7.035
  406   HG11  VAL  52          1HG1      VAL  52  11.923  -0.240   8.832
  407   HG12  VAL  52          2HG1      VAL  52  12.915   0.908   7.929
  408   HG13  VAL  52          3HG1      VAL  52  13.628  -0.590   8.534
  409   HG21  VAL  52          1HG2      VAL  52  10.243  -0.355   6.956
  410   HG22  VAL  52          2HG2      VAL  52  10.739  -0.855   5.336
  411   HG23  VAL  52          3HG2      VAL  52  11.168   0.751   5.935
  412    H    SER  53           H        SER  53  13.886  -3.263   5.815
  413    HA   SER  53           HA       SER  53  12.823  -3.819   3.104
  414    HB2  SER  53          2HB       SER  53  14.516  -5.589   4.919
  415    HB3  SER  53          1HB       SER  53  13.999  -5.980   3.273
  416    HG   SER  53           HG       SER  53  16.197  -4.968   3.740
  417    H    ILE  54           H        ILE  54  11.171  -5.336   2.850
  418    HA   ILE  54           HA       ILE  54  10.052  -6.696   5.220
  419    HB   ILE  54           HB       ILE  54   8.510  -4.867   4.763
  420   HG12  ILE  54          2HG1      ILE  54   7.381  -7.507   3.723
  421   HG13  ILE  54          1HG1      ILE  54   7.418  -6.982   5.400
  422   HG21  ILE  54          1HG2      ILE  54   8.357  -5.815   1.887
  423   HG22  ILE  54          2HG2      ILE  54   9.182  -4.360   2.455
  424   HG23  ILE  54          3HG2      ILE  54   7.428  -4.492   2.597
  425   HD11  ILE  54          1HD1      ILE  54   5.205  -6.826   4.428
  426   HD12  ILE  54          2HD1      ILE  54   5.801  -5.722   3.189
  427   HD13  ILE  54          3HD1      ILE  54   5.803  -5.230   4.887
  428    H    GLY  55           H        GLY  55   9.277  -8.820   4.785
  429    HA2  GLY  55          2HA       GLY  55  10.408 -10.124   2.450
  430    HA3  GLY  55          1HA       GLY  55   9.617 -10.898   3.809
  431    H    MET  56           H        MET  56   9.268 -11.370   0.926
  432    HA   MET  56           HA       MET  56   6.823 -10.413  -0.092
  433    HB2  MET  56          2HB       MET  56   8.281 -13.035  -0.571
  434    HB3  MET  56          1HB       MET  56   6.848 -12.564  -1.477
  435    HG2  MET  56          2HG       MET  56   9.509 -11.114  -1.456
  436    HG3  MET  56          1HG       MET  56   8.858 -12.097  -2.766
  437    HE1  MET  56          1HE       MET  56   5.686  -9.800  -3.741
  438    HE2  MET  56          2HE       MET  56   5.639 -10.940  -2.395
  439    HE3  MET  56          3HE       MET  56   6.395 -11.405  -3.921
  440    H    GLN  57           H        GLN  57   7.533 -12.909   2.209
  441    HA   GLN  57           HA       GLN  57   5.110 -14.286   2.442
  442    HB2  GLN  57          2HB       GLN  57   5.978 -14.883   4.730
  443    HB3  GLN  57          1HB       GLN  57   7.156 -15.123   3.441
  444    HG2  GLN  57          2HG       GLN  57   8.205 -12.921   4.046
  445    HG3  GLN  57          1HG       GLN  57   7.083 -12.797   5.397
  446   HE21  GLN  57          1HE2      GLN  57   9.894 -14.432   4.150
  447   HE22  GLN  57          2HE2      GLN  57  10.360 -15.194   5.629
  448    H    GLU  58           H        GLU  58   6.089 -11.171   3.719
  449    HA   GLU  58           HA       GLU  58   3.725 -10.873   5.447
  450    HB2  GLU  58          2HB       GLU  58   6.076  -8.978   5.014
  451    HB3  GLU  58          1HB       GLU  58   4.865  -8.862   6.291
  452    HG2  GLU  58          2HG       GLU  58   5.683 -10.915   7.319
  453    HG3  GLU  58          1HG       GLU  58   6.806 -11.174   5.983
  454    H    ILE  59           H        ILE  59   5.001  -9.883   2.367
  455    HA   ILE  59           HA       ILE  59   3.280  -7.673   1.804
  456    HB   ILE  59           HB       ILE  59   4.754  -9.547  -0.098
  457   HG12  ILE  59          2HG1      ILE  59   5.509  -6.768   0.917
  458   HG13  ILE  59          1HG1      ILE  59   6.250  -8.277   1.431
  459   HG21  ILE  59          1HG2      ILE  59   4.444  -7.747  -1.833
  460   HG22  ILE  59          2HG2      ILE  59   3.352  -6.908  -0.723
  461   HG23  ILE  59          3HG2      ILE  59   2.927  -8.505  -1.338
  462   HD11  ILE  59          1HD1      ILE  59   6.364  -7.081  -1.329
  463   HD12  ILE  59          2HD1      ILE  59   7.104  -8.612  -0.843
  464   HD13  ILE  59          3HD1      ILE  59   7.655  -7.098  -0.128
  465    H    HIS  60           H        HIS  60   1.217  -8.478   2.481
  466    HA   HIS  60           HA       HIS  60  -0.204  -9.552   0.167
  467    HB2  HIS  60          2HB       HIS  60  -1.728 -10.891   1.755
  468    HB3  HIS  60          1HB       HIS  60  -0.128 -11.560   1.449
  469    HD1  HIS  60           HD1      HIS  60   1.358 -11.957   3.435
  470    HD2  HIS  60           HD2      HIS  60  -1.988  -9.677   4.338
  471    HE1  HIS  60           HE1      HIS  60   1.372 -11.713   5.933
  472    HE2  HIS  60           HE2      HIS  60  -0.801 -10.548   6.463
  473    HA   PRO  61           HA       PRO  61  -2.711  -6.010   0.661
  474    HB2  PRO  61          2HB       PRO  61  -5.264  -6.894  -0.049
  475    HB3  PRO  61          1HB       PRO  61  -3.953  -6.616  -1.214
  476    HG2  PRO  61          2HG       PRO  61  -4.855  -9.192   0.029
  477    HG3  PRO  61          1HG       PRO  61  -4.420  -8.847  -1.662
  478    HD2  PRO  61          2HD       PRO  61  -2.692 -10.066   0.016
  479    HD3  PRO  61          1HD       PRO  61  -2.116  -8.931  -1.224
  480    H    ALA  62           H        ALA  62  -3.690  -8.782   2.606
  481    HA   ALA  62           HA       ALA  62  -5.708  -7.677   4.204
  482    HB1  ALA  62          1HB       ALA  62  -5.065 -10.066   4.275
  483    HB2  ALA  62          2HB       ALA  62  -5.119  -9.362   5.893
  484    HB3  ALA  62          3HB       ALA  62  -3.566  -9.637   5.098
  485    H    ASN  63           H        ASN  63  -2.228  -7.241   4.373
  486    HA   ASN  63           HA       ASN  63  -2.296  -5.668   6.839
  487    HB2  ASN  63          2HB       ASN  63  -0.048  -6.533   4.974
  488    HB3  ASN  63          1HB       ASN  63   0.210  -5.507   6.385
  489   HD21  ASN  63          1HD2      ASN  63   1.592  -7.105   7.253
  490   HD22  ASN  63          2HD2      ASN  63   0.967  -8.530   7.995
  491    H    PHE  64           H        PHE  64  -2.448  -5.135   3.451
  492    HA   PHE  64           HA       PHE  64  -1.846  -2.243   3.671
  493    HB2  PHE  64          2HB       PHE  64  -1.918  -4.147   1.285
  494    HB3  PHE  64          1HB       PHE  64  -1.759  -2.401   1.123
  495    HD1  PHE  64           HD1      PHE  64  -0.096  -5.461   2.429
  496    HD2  PHE  64           HD2      PHE  64   0.367  -1.334   1.392
  497    HE1  PHE  64           HE1      PHE  64   2.336  -5.692   2.588
  498    HE2  PHE  64           HE2      PHE  64   2.799  -1.575   1.566
  499    HZ   PHE  64           HZ       PHE  64   3.787  -3.747   2.146
  500    H    ALA  65           H        ALA  65  -4.356  -3.693   4.478
  501    HA   ALA  65           HA       ALA  65  -6.476  -3.508   2.689
  502    HB1  ALA  65          1HB       ALA  65  -6.560  -4.739   4.827
  503    HB2  ALA  65          2HB       ALA  65  -7.941  -3.653   4.660
  504    HB3  ALA  65          3HB       ALA  65  -6.589  -3.210   5.709
  505    H    THR  66           H        THR  66  -5.126  -1.036   4.804
  506    HA   THR  66           HA       THR  66  -6.332   1.131   3.280
  507    HB   THR  66           HB       THR  66  -6.984   2.356   5.466
  508    HG1  THR  66           HG1      THR  66  -6.820  -0.297   6.487
  509   HG21  THR  66          1HG2      THR  66  -8.763   1.498   3.968
  510   HG22  THR  66          2HG2      THR  66  -9.232   1.377   5.664
  511   HG23  THR  66          3HG2      THR  66  -8.702  -0.065   4.792
  512    H    VAL  67           H        VAL  67  -5.402   3.314   4.345
  513    HA   VAL  67           HA       VAL  67  -2.580   3.209   4.341
  514    HB   VAL  67           HB       VAL  67  -3.852   5.277   3.796
  515   HG11  VAL  67          1HG1      VAL  67  -4.676   6.799   5.573
  516   HG12  VAL  67          2HG1      VAL  67  -4.328   5.570   6.791
  517   HG13  VAL  67          3HG1      VAL  67  -5.564   5.272   5.566
  518   HG21  VAL  67          1HG2      VAL  67  -2.273   6.886   4.816
  519   HG22  VAL  67          2HG2      VAL  67  -1.441   5.432   4.262
  520   HG23  VAL  67          3HG2      VAL  67  -1.771   5.659   5.982
  521    H    GLN  68           H        GLN  68  -4.891   3.263   7.025
  522    HA   GLN  68           HA       GLN  68  -2.982   3.682   9.109
  523    HB2  GLN  68          2HB       GLN  68  -4.868   3.126  10.640
  524    HB3  GLN  68          1HB       GLN  68  -5.304   4.337   9.446
  525    HG2  GLN  68          2HG       GLN  68  -6.473   2.595   8.122
  526    HG3  GLN  68          1HG       GLN  68  -6.069   1.397   9.348
  527   HE21  GLN  68          1HE2      GLN  68  -7.142   1.482  11.365
  528   HE22  GLN  68          2HE2      GLN  68  -8.600   2.391  11.581
  529    H    SER  69           H        SER  69  -4.285   0.840   7.511
  530    HA   SER  69           HA       SER  69  -3.297  -1.141   9.310
  531    HB2  SER  69          2HB       SER  69  -3.920  -1.435   6.335
  532    HB3  SER  69          1HB       SER  69  -3.850  -2.736   7.525
  533    HG   SER  69           HG       SER  69  -5.699  -1.964   8.466
  534    H    MET  70           H        MET  70  -2.101   0.222   6.227
  535    HA   MET  70           HA       MET  70   0.145  -1.564   6.033
  536    HB2  MET  70          2HB       MET  70   0.621  -0.524   3.928
  537    HB3  MET  70          1HB       MET  70  -1.131  -0.621   4.056
  538    HG2  MET  70          2HG       MET  70  -1.248   1.756   4.619
  539    HG3  MET  70          1HG       MET  70   0.510   1.874   4.563
  540    HE1  MET  70          1HE       MET  70  -1.821  -0.199   2.083
  541    HE2  MET  70          2HE       MET  70  -2.110   1.016   0.837
  542    HE3  MET  70          3HE       MET  70  -2.767   1.243   2.458
  543    H    VAL  71           H        VAL  71  -0.341   1.720   7.187
  544    HA   VAL  71           HA       VAL  71   2.366   2.550   7.345
  545    HB   VAL  71           HB       VAL  71   0.049   3.903   7.678
  546   HG11  VAL  71          1HG1      VAL  71  -0.363   4.698   9.946
  547   HG12  VAL  71          2HG1      VAL  71   0.880   3.603  10.555
  548   HG13  VAL  71          3HG1      VAL  71  -0.585   2.945   9.831
  549   HG21  VAL  71          1HG2      VAL  71   2.221   4.963   7.234
  550   HG22  VAL  71          2HG2      VAL  71   2.663   4.801   8.935
  551   HG23  VAL  71          3HG2      VAL  71   1.336   5.869   8.468
  552    H    ALA  72           H        ALA  72   0.217   0.853   9.502
  553    HA   ALA  72           HA       ALA  72   1.883   0.921  11.845
  554    HB1  ALA  72          1HB       ALA  72  -0.642  -0.652  11.260
  555    HB2  ALA  72          2HB       ALA  72  -0.599   1.002  11.874
  556    HB3  ALA  72          3HB       ALA  72   0.046  -0.325  12.859
  557    H    LEU  73           H        LEU  73   1.268  -1.247   9.203
  558    HA   LEU  73           HA       LEU  73   2.492  -3.623  10.094
  559    HB2  LEU  73          2HB       LEU  73   1.231  -4.007   8.200
  560    HB3  LEU  73          1HB       LEU  73   1.542  -2.412   7.548
  561    HG   LEU  73           HG       LEU  73   3.877  -3.277   6.927
  562   HD11  LEU  73          1HD1      LEU  73   3.946  -5.293   8.288
  563   HD12  LEU  73          2HD1      LEU  73   4.143  -5.688   6.581
  564   HD13  LEU  73          3HD1      LEU  73   2.597  -5.986   7.380
  565   HD21  LEU  73          1HD2      LEU  73   2.148  -2.795   5.302
  566   HD22  LEU  73          2HD2      LEU  73   1.459  -4.407   5.508
  567   HD23  LEU  73          3HD2      LEU  73   3.074  -4.216   4.822
  568    H    VAL  74           H        VAL  74   3.728  -0.719   8.429
  569    HA   VAL  74           HA       VAL  74   6.432  -1.667   8.220
  570    HB   VAL  74           HB       VAL  74   5.433   1.224   8.164
  571   HG11  VAL  74          1HG1      VAL  74   7.561   1.726   6.962
  572   HG12  VAL  74          2HG1      VAL  74   8.078   0.054   7.188
  573   HG13  VAL  74          3HG1      VAL  74   7.866   1.106   8.588
  574   HG21  VAL  74          1HG2      VAL  74   5.924  -0.675   5.828
  575   HG22  VAL  74          2HG2      VAL  74   5.476   1.027   5.688
  576   HG23  VAL  74          3HG2      VAL  74   4.346  -0.129   6.398
  577    H    GLN  75           H        GLN  75   4.624   0.276  10.593
  578    HA   GLN  75           HA       GLN  75   6.786   1.164  12.163
  579    HB2  GLN  75          2HB       GLN  75   3.882   0.689  12.927
  580    HB3  GLN  75          1HB       GLN  75   5.039   1.498  13.980
  581    HG2  GLN  75          2HG       GLN  75   4.294   2.483  11.209
  582    HG3  GLN  75          1HG       GLN  75   3.531   3.035  12.697
  583   HE21  GLN  75          1HE2      GLN  75   4.174   5.164  12.286
  584   HE22  GLN  75          2HE2      GLN  75   5.807   5.696  12.477
  585    H    ARG  76           H        ARG  76   5.109  -1.958  12.246
  586    HA   ARG  76           HA       ARG  76   6.168  -2.786  14.772
  587    HB2  ARG  76          2HB       ARG  76   5.365  -5.032  14.281
  588    HB3  ARG  76          1HB       ARG  76   4.124  -3.841  13.899
  589    HG2  ARG  76          2HG       ARG  76   4.541  -4.058  11.544
  590    HG3  ARG  76          1HG       ARG  76   5.962  -5.055  11.833
  591    HD2  ARG  76          2HD       ARG  76   4.498  -6.834  12.780
  592    HD3  ARG  76          1HD       ARG  76   3.086  -5.833  12.413
  593    HE   ARG  76           HE       ARG  76   3.262  -6.400  10.206
  594   HH11  ARG  76          1HH1      ARG  76   6.258  -7.441  11.760
  595   HH12  ARG  76          2HH1      ARG  76   6.804  -8.323  10.366
  596   HH21  ARG  76          1HH2      ARG  76   4.015  -7.574   8.409
  597   HH22  ARG  76          2HH2      ARG  76   5.542  -8.390   8.494
  598    H    LEU  77           H        LEU  77   7.237  -3.262  11.388
  599    HA   LEU  77           HA       LEU  77   9.438  -4.989  12.151
  600    HB2  LEU  77          2HB       LEU  77  10.031  -4.951   9.710
  601    HB3  LEU  77          1HB       LEU  77   8.419  -5.525  10.081
  602    HG   LEU  77           HG       LEU  77   7.570  -3.198   9.417
  603   HD11  LEU  77          1HD1      LEU  77   8.966  -1.881   7.851
  604   HD12  LEU  77          2HD1      LEU  77  10.358  -2.886   8.267
  605   HD13  LEU  77          3HD1      LEU  77   9.585  -1.881   9.509
  606   HD21  LEU  77          1HD2      LEU  77   8.810  -4.940   7.270
  607   HD22  LEU  77          2HD2      LEU  77   7.543  -3.735   7.021
  608   HD23  LEU  77          3HD2      LEU  77   7.224  -5.153   8.018
  609    H    LYS  78           H        LYS  78   8.994  -1.619  12.008
  610    HA   LYS  78           HA       LYS  78  11.513  -0.593  11.334
  611    HB2  LYS  78          2HB       LYS  78   9.370   0.369  13.248
  612    HB3  LYS  78          1HB       LYS  78  10.815   1.315  12.954
  613    HG2  LYS  78          2HG       LYS  78   8.795   0.513  10.853
  614    HG3  LYS  78          1HG       LYS  78   8.877   2.092  11.632
  615    HD2  LYS  78          2HD       LYS  78  11.129   0.883   9.988
  616    HD3  LYS  78          1HD       LYS  78   9.913   1.977   9.337
  617    HE2  LYS  78          2HE       LYS  78  10.668   3.719  10.959
  618    HE3  LYS  78          1HE       LYS  78  11.939   2.621  11.506
  619    HZ1  LYS  78          1HZ       LYS  78  12.895   2.665   9.340
  620    HZ2  LYS  78          2HZ       LYS  78  12.687   4.251   9.873
  621    HZ3  LYS  78          3HZ       LYS  78  11.626   3.598   8.734
  622    H    ALA  79           H        ALA  79  10.369  -1.960  14.387
  623    HA   ALA  79           HA       ALA  79  12.691  -1.235  15.937
  624    HB1  ALA  79          1HB       ALA  79  10.446  -3.178  16.563
  625    HB2  ALA  79          2HB       ALA  79  10.472  -1.462  16.976
  626    HB3  ALA  79          3HB       ALA  79  11.635  -2.564  17.718
  627    H    HIS  80           H        HIS  80  12.137  -3.622  13.612
  628    HA   HIS  80           HA       HIS  80  13.986  -5.610  14.730
  629    HB2  HIS  80          2HB       HIS  80  12.390  -5.581  12.124
  630    HB3  HIS  80          1HB       HIS  80  13.463  -6.885  12.609
  631    HD1  HIS  80           HD1      HIS  80  12.355  -8.759  13.784
  632    HD2  HIS  80           HD2      HIS  80  10.207  -5.235  14.166
  633    HE1  HIS  80           HE1      HIS  80  10.262  -9.382  15.009
  634    HE2  HIS  80           HE2      HIS  80   9.077  -7.192  15.398
  635    HA   PRO  81           HA       PRO  81  17.472  -3.865  12.449
  636    HB2  PRO  81          2HB       PRO  81  18.885  -6.453  12.642
  637    HB3  PRO  81          1HB       PRO  81  19.212  -4.949  13.526
  638    HG2  PRO  81          2HG       PRO  81  18.234  -7.195  14.728
  639    HG3  PRO  81          1HG       PRO  81  17.915  -5.549  15.314
  640    HD2  PRO  81          2HD       PRO  81  16.122  -7.345  13.679
  641    HD3  PRO  81          1HD       PRO  81  15.716  -6.285  15.052
  642    H    GLU  82           H        GLU  82  16.692  -7.236  11.640
  643    HA   GLU  82           HA       GLU  82  16.667  -6.752   8.770
  644    HB2  GLU  82          2HB       GLU  82  18.285  -8.672   8.419
  645    HB3  GLU  82          1HB       GLU  82  19.012  -7.230   9.114
  646    HG2  GLU  82          2HG       GLU  82  18.973  -8.247  11.354
  647    HG3  GLU  82          1HG       GLU  82  18.179  -9.679  10.696
  648    H    GLN  83           H        GLN  83  15.104  -7.983   7.890
  649    HA   GLN  83           HA       GLN  83  14.243 -10.534   8.801
  650    HB2  GLN  83          2HB       GLN  83  12.111 -10.072   9.765
  651    HB3  GLN  83          1HB       GLN  83  13.248  -9.026  10.595
  652    HG2  GLN  83          2HG       GLN  83  11.355  -8.165   8.397
  653    HG3  GLN  83          1HG       GLN  83  11.078  -7.933  10.118
  654   HE21  GLN  83          1HE2      GLN  83  11.167  -5.939   7.996
  655   HE22  GLN  83          2HE2      GLN  83  12.416  -4.823   8.420
  656    H    GLY  84           H        GLY  84  12.686 -11.489   7.448
  657    HA2  GLY  84          2HA       GLY  84  11.078 -11.417   5.665
  658    HA3  GLY  84          1HA       GLY  84  11.899 -10.017   4.999
  659    H    GLY  85           H        GLY  85  14.564 -11.184   5.413
  660    HA2  GLY  85          2HA       GLY  85  14.857 -12.592   2.912
  661    HA3  GLY  85          1HA       GLY  85  16.126 -12.132   4.038
  662    H    ALA  86           H        ALA  86  13.449 -14.421   3.687
  663    HA   ALA  86           HA       ALA  86  15.040 -16.534   5.036
  664    HB1  ALA  86          1HB       ALA  86  12.894 -16.070   6.166
  665    HB2  ALA  86          2HB       ALA  86  12.872 -17.671   5.427
  666    HB3  ALA  86          3HB       ALA  86  12.018 -16.333   4.654
  667    H    ALA  87           H        ALA  87  15.929 -17.943   3.646
  668    HA   ALA  87           HA       ALA  87  16.489 -19.156   1.824
  669    HB1  ALA  87          1HB       ALA  87  14.687 -20.248   0.517
  670    HB2  ALA  87          2HB       ALA  87  13.506 -19.145   1.230
  671    HB3  ALA  87          3HB       ALA  87  14.350 -20.308   2.251
  672    H    LEU  88           H        LEU  88  16.298 -16.166   1.659
  673    HA   LEU  88           HA       LEU  88  16.294 -15.813  -1.284
  674    HB2  LEU  88          2HB       LEU  88  15.159 -13.924   0.831
  675    HB3  LEU  88          1HB       LEU  88  15.426 -13.458  -0.843
  676    HG   LEU  88           HG       LEU  88  13.485 -15.621   0.084
  677   HD11  LEU  88          1HD1      LEU  88  12.693 -13.398   0.722
  678   HD12  LEU  88          2HD1      LEU  88  11.693 -14.081  -0.556
  679   HD13  LEU  88          3HD1      LEU  88  12.878 -12.830  -0.941
  680   HD21  LEU  88          1HD2      LEU  88  13.953 -14.526  -2.721
  681   HD22  LEU  88          2HD2      LEU  88  12.683 -15.660  -2.253
  682   HD23  LEU  88          3HD2      LEU  88  14.373 -16.144  -2.144
  683    H    GLU  89           H        GLU  89  17.915 -14.537  -2.095
  684    HA   GLU  89           HA       GLU  89  20.075 -13.617  -0.332
  685    HB2  GLU  89          2HB       GLU  89  19.918 -13.709  -3.390
  686    HB3  GLU  89          1HB       GLU  89  21.342 -13.260  -2.456
  687    HG2  GLU  89          2HG       GLU  89  20.016 -15.992  -2.447
  688    HG3  GLU  89          1HG       GLU  89  21.483 -15.562  -3.330
  689   H282  PNS 101          3H28      PNS 136   0.487  -9.467  -4.416
  690   H281  PNS 101          2H28      PNS 136   0.423 -10.497  -5.841
  691   H303  PNS 101          3H51      PNS 136   1.151 -11.590  -2.354
  692   H302  PNS 101          2H51      PNS 136   2.904 -11.523  -2.508
  693   H301  PNS 101          1H51      PNS 136   1.969 -10.022  -2.498
  694   H313  PNS 101          3H52      PNS 136   3.937 -10.804  -4.723
  695   H312  PNS 101          2H52      PNS 136   2.972  -9.332  -4.668
  696   H311  PNS 101          1H52      PNS 136   2.891 -10.396  -6.088
  697    H32  PNS 101           H32      PNS 136   1.015 -13.127  -4.335
  698    H33  PNS 101           H33      PNS 136   0.721 -12.398  -6.447
  699    H36  PNS 101           H36      PNS 136   3.895 -12.878  -6.253
  700   H372  PNS 101          3H37      PNS 136   5.895 -13.617  -4.375
  701   H371  PNS 101          2H37      PNS 136   5.285 -15.045  -5.214
  702   H382  PNS 101          3H38      PNS 136   7.279 -14.166  -6.341
  703   H381  PNS 101          2H38      PNS 136   5.863 -14.044  -7.385
  704    H41  PNS 101           H41      PNS 136   5.072 -11.996  -7.944
  705   H422  PNS 101          3H42      PNS 136   6.712  -9.899  -8.477
  706   H421  PNS 101          2H42      PNS 136   6.096  -9.521  -6.867
  707   H431  PNS 101          2H43      PNS 136   3.780  -9.653  -7.735
  708   H432  PNS 101          3H43      PNS 136   4.735  -8.448  -8.621
  709    H44  PNS 101           H44      PNS 136   4.106 -11.643  -9.699
  Start of MODEL    2
    1    H1   MET   1          1H        MET   1   4.127  15.901  -0.803
    2    H2   MET   1          2H        MET   1   2.898  17.046  -0.659
    3    H3   MET   1          3H        MET   1   3.006  16.093  -2.048
    4    HA   MET   1           HA       MET   1   2.454  15.103   0.668
    5    HB2  MET   1          2HB       MET   1   0.611  15.394  -1.744
    6    HB3  MET   1          1HB       MET   1   0.171  14.608  -0.230
    7    HG2  MET   1          2HG       MET   1  -0.779  16.838  -0.321
    8    HG3  MET   1          1HG       MET   1   0.446  16.781   0.952
    9    HE1  MET   1          1HE       MET   1   0.611  19.453   1.055
   10    HE2  MET   1          2HE       MET   1  -0.658  19.565  -0.166
   11    HE3  MET   1          3HE       MET   1   0.844  20.464  -0.372
   12    H    LEU   2           H        LEU   2   3.262  13.097   0.859
   13    HA   LEU   2           HA       LEU   2   3.947  11.476  -1.456
   14    HB2  LEU   2          2HB       LEU   2   5.040   9.965   0.010
   15    HB3  LEU   2          1HB       LEU   2   5.412  11.572   0.595
   16    HG   LEU   2           HG       LEU   2   3.283   9.806   1.895
   17   HD11  LEU   2          1HD1      LEU   2   4.931   9.216   3.609
   18   HD12  LEU   2          2HD1      LEU   2   6.196  10.068   2.718
   19   HD13  LEU   2          3HD1      LEU   2   5.427   8.640   2.020
   20   HD21  LEU   2          1HD2      LEU   2   4.732  12.257   2.969
   21   HD22  LEU   2          2HD2      LEU   2   3.517  11.305   3.829
   22   HD23  LEU   2          3HD2      LEU   2   3.066  12.212   2.390
   23    H    GLU   3           H        GLU   3   1.300  11.752   0.744
   24    HA   GLU   3           HA       GLU   3   0.056   9.239   0.511
   25    HB2  GLU   3          2HB       GLU   3  -0.707  10.891   2.139
   26    HB3  GLU   3          1HB       GLU   3  -1.119  12.027   0.856
   27    HG2  GLU   3          2HG       GLU   3  -2.839  10.298   0.056
   28    HG3  GLU   3          1HG       GLU   3  -2.520   9.431   1.554
   29    H    SER   4           H        SER   4  -0.563  12.251  -1.309
   30    HA   SER   4           HA       SER   4  -2.336  11.254  -3.242
   31    HB2  SER   4          2HB       SER   4  -1.700  13.342  -4.510
   32    HB3  SER   4          1HB       SER   4  -2.097  13.650  -2.822
   33    HG   SER   4           HG       SER   4   0.156  14.202  -4.125
   34    H    LYS   5           H        LYS   5   1.151  11.280  -3.047
   35    HA   LYS   5           HA       LYS   5   1.796  10.746  -5.741
   36    HB2  LYS   5          2HB       LYS   5   3.357  11.713  -4.058
   37    HB3  LYS   5          1HB       LYS   5   3.386  10.174  -3.200
   38    HG2  LYS   5          2HG       LYS   5   4.441   9.087  -5.127
   39    HG3  LYS   5          1HG       LYS   5   4.339  10.590  -6.051
   40    HD2  LYS   5          2HD       LYS   5   5.856  11.682  -4.395
   41    HD3  LYS   5          1HD       LYS   5   5.993  10.144  -3.533
   42    HE2  LYS   5          2HE       LYS   5   6.865  10.667  -6.400
   43    HE3  LYS   5          1HE       LYS   5   7.927  10.484  -5.005
   44    HZ1  LYS   5          1HZ       LYS   5   6.132   8.383  -6.100
   45    HZ2  LYS   5          2HZ       LYS   5   7.145   8.208  -4.753
   46    HZ3  LYS   5          3HZ       LYS   5   7.810   8.456  -6.288
   47    H    LEU   6           H        LEU   6   1.413   8.554  -2.889
   48    HA   LEU   6           HA       LEU   6   2.096   6.189  -4.349
   49    HB2  LEU   6          2HB       LEU   6   1.527   4.915  -2.353
   50    HB3  LEU   6          1HB       LEU   6   2.495   6.311  -1.941
   51    HG   LEU   6           HG       LEU   6   0.103   7.385  -1.365
   52   HD11  LEU   6          1HD1      LEU   6  -1.465   5.787  -0.361
   53   HD12  LEU   6          2HD1      LEU   6  -0.479   4.440  -0.934
   54   HD13  LEU   6          3HD1      LEU   6  -1.273   5.510  -2.090
   55   HD21  LEU   6          1HD2      LEU   6   1.954   7.158   0.221
   56   HD22  LEU   6          2HD2      LEU   6   1.499   5.480   0.535
   57   HD23  LEU   6          3HD2      LEU   6   0.404   6.797   0.978
   58    H    ILE   7           H        ILE   7  -0.969   7.806  -3.549
   59    HA   ILE   7           HA       ILE   7  -2.708   5.752  -4.485
   60    HB   ILE   7           HB       ILE   7  -3.231   8.758  -4.495
   61   HG12  ILE   7          2HG1      ILE   7  -4.195   6.795  -2.367
   62   HG13  ILE   7          1HG1      ILE   7  -2.677   7.676  -2.206
   63   HG21  ILE   7          1HG2      ILE   7  -5.643   8.140  -4.551
   64   HG22  ILE   7          2HG2      ILE   7  -5.204   6.433  -4.648
   65   HG23  ILE   7          3HG2      ILE   7  -4.790   7.524  -5.971
   66   HD11  ILE   7          1HD1      ILE   7  -5.413   8.937  -2.462
   67   HD12  ILE   7          2HD1      ILE   7  -3.884   9.805  -2.278
   68   HD13  ILE   7          3HD1      ILE   7  -4.472   8.763  -0.982
   69    H    ASN   8           H        ASN   8  -1.648   8.817  -6.019
   70    HA   ASN   8           HA       ASN   8  -2.860   8.482  -8.500
   71    HB2  ASN   8          2HB       ASN   8  -2.012  10.663  -7.757
   72    HB3  ASN   8          1HB       ASN   8  -0.355  10.077  -7.794
   73   HD21  ASN   8          1HD2      ASN   8   0.669   9.803  -9.792
   74   HD22  ASN   8          2HD2      ASN   8   0.076  10.504 -11.253
   75    H    HIS   9           H        HIS   9   0.180   7.215  -7.300
   76    HA   HIS   9           HA       HIS   9   1.552   6.600  -9.637
   77    HB2  HIS   9          2HB       HIS   9   2.479   6.402  -7.315
   78    HB3  HIS   9          1HB       HIS   9   1.519   4.947  -7.066
   79    HD1  HIS   9           HD1      HIS   9   4.801   6.022  -8.155
   80    HD2  HIS   9           HD2      HIS   9   2.315   2.797  -8.985
   81    HE1  HIS   9           HE1      HIS   9   6.291   4.270  -9.145
   82    HE2  HIS   9           HE2      HIS   9   4.812   2.253  -9.384
   83    H    ILE  10           H        ILE  10  -0.427   4.238  -7.743
   84    HA   ILE  10           HA       ILE  10  -0.627   2.495 -10.058
   85    HB   ILE  10           HB       ILE  10  -2.174   1.125  -8.509
   86   HG12  ILE  10          2HG1      ILE  10  -1.653   1.487  -6.006
   87   HG13  ILE  10          1HG1      ILE  10  -1.063   3.078  -6.434
   88   HG21  ILE  10          1HG2      ILE  10   0.760   1.447  -7.793
   89   HG22  ILE  10          2HG2      ILE  10   0.082   0.429  -9.065
   90   HG23  ILE  10          3HG2      ILE  10  -0.250   0.054  -7.375
   91   HD11  ILE  10          1HD1      ILE  10  -3.879   2.067  -6.809
   92   HD12  ILE  10          2HD1      ILE  10  -3.288   3.682  -7.204
   93   HD13  ILE  10          3HD1      ILE  10  -3.307   3.140  -5.528
   94    H    ALA  11           H        ALA  11  -2.612   4.963  -8.609
   95    HA   ALA  11           HA       ALA  11  -5.115   4.417  -9.714
   96    HB1  ALA  11          1HB       ALA  11  -3.863   7.154  -9.324
   97    HB2  ALA  11          2HB       ALA  11  -4.717   6.242  -8.081
   98    HB3  ALA  11          3HB       ALA  11  -5.586   6.814  -9.509
   99    H    THR  12           H        THR  12  -2.134   5.458 -11.203
  100    HA   THR  12           HA       THR  12  -3.098   6.540 -13.631
  101    HB   THR  12           HB       THR  12  -0.468   5.065 -13.155
  102    HG1  THR  12           HG1      THR  12  -1.350   7.326 -12.124
  103   HG21  THR  12          1HG2      THR  12   0.391   6.403 -15.064
  104   HG22  THR  12          2HG2      THR  12  -1.210   7.107 -15.309
  105   HG23  THR  12          3HG2      THR  12  -0.953   5.383 -15.583
  106    H    GLN  13           H        GLN  13  -2.235   3.240 -12.655
  107    HA   GLN  13           HA       GLN  13  -2.821   2.153 -15.328
  108    HB2  GLN  13          2HB       GLN  13  -1.852   0.049 -14.461
  109    HB3  GLN  13          1HB       GLN  13  -0.755   1.403 -14.226
  110    HG2  GLN  13          2HG       GLN  13  -1.343   1.533 -11.871
  111    HG3  GLN  13          1HG       GLN  13  -2.531   0.252 -12.057
  112   HE21  GLN  13          1HE2      GLN  13  -1.774  -1.893 -12.381
  113   HE22  GLN  13          2HE2      GLN  13  -0.175  -2.355 -11.927
  114    H    PHE  14           H        PHE  14  -4.254   2.399 -12.192
  115    HA   PHE  14           HA       PHE  14  -6.072   0.121 -12.584
  116    HB2  PHE  14          2HB       PHE  14  -4.958   1.599 -10.191
  117    HB3  PHE  14          1HB       PHE  14  -6.595   0.974 -10.014
  118    HD1  PHE  14           HD1      PHE  14  -5.586  -0.380  -8.118
  119    HD2  PHE  14           HD2      PHE  14  -4.417  -0.998 -12.197
  120    HE1  PHE  14           HE1      PHE  14  -4.735  -2.615  -7.573
  121    HE2  PHE  14           HE2      PHE  14  -3.567  -3.213 -11.619
  122    HZ   PHE  14           HZ       PHE  14  -3.734  -4.032  -9.311
  123    H    LEU  15           H        LEU  15  -6.114   3.640 -12.275
  124    HA   LEU  15           HA       LEU  15  -9.103   3.631 -12.462
  125    HB2  LEU  15          2HB       LEU  15  -7.456   5.717 -10.981
  126    HB3  LEU  15          1HB       LEU  15  -9.198   5.500 -10.952
  127    HG   LEU  15           HG       LEU  15  -7.170   3.614  -9.686
  128   HD11  LEU  15          1HD1      LEU  15  -7.845   4.518  -7.572
  129   HD12  LEU  15          2HD1      LEU  15  -9.033   5.588  -8.317
  130   HD13  LEU  15          3HD1      LEU  15  -7.305   5.839  -8.599
  131   HD21  LEU  15          1HD2      LEU  15  -9.109   2.544  -8.603
  132   HD22  LEU  15          2HD2      LEU  15  -9.194   2.405 -10.356
  133   HD23  LEU  15          3HD2      LEU  15 -10.211   3.580  -9.516
  134    H    ASP  16           H        ASP  16  -6.748   4.047 -14.446
  135    HA   ASP  16           HA       ASP  16  -6.480   5.120 -16.427
  136    HB2  ASP  16          2HB       ASP  16  -9.093   5.126 -16.281
  137    HB3  ASP  16          1HB       ASP  16  -8.950   6.801 -15.794
  138    H    GLY  17           H        GLY  17  -5.612   6.296 -13.733
  139    HA2  GLY  17          2HA       GLY  17  -3.984   7.987 -13.426
  140    HA3  GLY  17          1HA       GLY  17  -4.726   8.951 -14.688
  141    H    GLU  18           H        GLU  18  -7.321   7.948 -13.007
  142    HA   GLU  18           HA       GLU  18  -7.510  10.567 -11.670
  143    HB2  GLU  18          2HB       GLU  18  -9.737  10.588 -12.268
  144    HB3  GLU  18          1HB       GLU  18  -9.223   9.420 -13.484
  145    HG2  GLU  18          2HG       GLU  18  -9.977   7.580 -12.016
  146    HG3  GLU  18          1HG       GLU  18 -10.499   8.754 -10.806
  147    H    LYS  19           H        LYS  19  -8.293  10.711  -9.470
  148    HA   LYS  19           HA       LYS  19  -8.072   8.263  -7.837
  149    HB2  LYS  19          2HB       LYS  19  -8.580  11.120  -6.928
  150    HB3  LYS  19          1HB       LYS  19  -8.267   9.722  -5.897
  151    HG2  LYS  19          2HG       LYS  19  -5.992   9.593  -7.257
  152    HG3  LYS  19          1HG       LYS  19  -6.343  11.291  -7.607
  153    HD2  LYS  19          2HD       LYS  19  -5.988   9.991  -4.889
  154    HD3  LYS  19          1HD       LYS  19  -4.950  11.211  -5.629
  155    HE2  LYS  19          2HE       LYS  19  -6.752  12.882  -5.431
  156    HE3  LYS  19          1HE       LYS  19  -7.831  11.658  -4.753
  157    HZ1  LYS  19          1HZ       LYS  19  -6.863  13.050  -3.062
  158    HZ2  LYS  19          2HZ       LYS  19  -5.305  12.602  -3.526
  159    HZ3  LYS  19          3HZ       LYS  19  -6.360  11.446  -2.872
  160    H    ASP  20           H        ASP  20  -9.920   7.113  -7.848
  161    HA   ASP  20           HA       ASP  20 -12.375   8.284  -6.887
  162    HB2  ASP  20          2HB       ASP  20 -12.411   8.770  -9.384
  163    HB3  ASP  20          1HB       ASP  20 -12.404   7.037  -9.682
  164    H    GLY  21           H        GLY  21 -12.945   6.858  -5.408
  165    HA2  GLY  21          2HA       GLY  21 -13.683   4.839  -4.504
  166    HA3  GLY  21          1HA       GLY  21 -13.064   3.978  -5.905
  167    H    LEU  22           H        LEU  22 -10.473   5.679  -5.367
  168    HA   LEU  22           HA       LEU  22  -9.306   3.953  -3.274
  169    HB2  LEU  22          2HB       LEU  22  -8.862   3.296  -5.771
  170    HB3  LEU  22          1HB       LEU  22  -7.809   4.678  -5.820
  171    HG   LEU  22           HG       LEU  22  -7.405   2.411  -3.820
  172   HD11  LEU  22          1HD1      LEU  22  -7.345   1.423  -6.057
  173   HD12  LEU  22          2HD1      LEU  22  -5.733   1.453  -5.352
  174   HD13  LEU  22          3HD1      LEU  22  -6.173   2.633  -6.589
  175   HD21  LEU  22          1HD2      LEU  22  -6.213   4.475  -3.244
  176   HD22  LEU  22          2HD2      LEU  22  -5.473   4.522  -4.844
  177   HD23  LEU  22          3HD2      LEU  22  -5.073   3.218  -3.721
  178    H    ASP  23           H        ASP  23  -8.982   5.404  -1.755
  179    HA   ASP  23           HA       ASP  23  -6.718   7.226  -2.212
  180    HB2  ASP  23          2HB       ASP  23  -9.149   7.774  -0.448
  181    HB3  ASP  23          1HB       ASP  23  -7.603   8.554  -0.147
  182    H    SER  24           H        SER  24  -5.554   7.542  -0.052
  183    HA   SER  24           HA       SER  24  -4.610   5.061   0.852
  184    HB2  SER  24          2HB       SER  24  -4.298   7.821   2.100
  185    HB3  SER  24          1HB       SER  24  -3.283   6.425   2.448
  186    HG   SER  24           HG       SER  24  -2.192   7.507   0.939
  187    H    GLN  25           H        GLN  25  -6.894   7.364   2.328
  188    HA   GLN  25           HA       GLN  25  -7.201   5.869   4.803
  189    HB2  GLN  25          2HB       GLN  25  -8.696   8.314   3.752
  190    HB3  GLN  25          1HB       GLN  25  -8.801   7.674   5.393
  191    HG2  GLN  25          2HG       GLN  25  -6.388   8.139   5.721
  192    HG3  GLN  25          1HG       GLN  25  -6.311   8.816   4.093
  193   HE21  GLN  25          1HE2      GLN  25  -5.745  10.092   6.622
  194   HE22  GLN  25          2HE2      GLN  25  -6.791  11.464   6.720
  195    H    THR  26           H        THR  26  -8.630   5.814   1.711
  196    HA   THR  26           HA       THR  26 -11.280   4.951   2.376
  197    HB   THR  26           HB       THR  26  -9.713   4.753  -0.246
  198    HG1  THR  26           HG1      THR  26 -10.400   6.873   0.962
  199   HG21  THR  26          1HG2      THR  26 -11.928   4.592  -1.342
  200   HG22  THR  26          2HG2      THR  26 -12.716   4.545   0.242
  201   HG23  THR  26          3HG2      THR  26 -11.662   3.223  -0.258
  202    HA   PRO  27           HA       PRO  27 -10.223   0.656   3.280
  203    HB2  PRO  27          2HB       PRO  27 -12.706  -0.494   2.940
  204    HB3  PRO  27          1HB       PRO  27 -12.263   0.450   4.382
  205    HG2  PRO  27          2HG       PRO  27 -13.821   1.322   1.962
  206    HG3  PRO  27          1HG       PRO  27 -14.139   1.664   3.678
  207    HD2  PRO  27          2HD       PRO  27 -12.965   3.482   2.061
  208    HD3  PRO  27          1HD       PRO  27 -12.530   3.356   3.772
  209    H    LEU  28           H        LEU  28  -8.902   0.081   1.632
  210    HA   LEU  28           HA       LEU  28  -9.468   0.192  -1.103
  211    HB2  LEU  28          2HB       LEU  28  -7.305  -1.373   0.343
  212    HB3  LEU  28          1HB       LEU  28  -7.314  -1.031  -1.379
  213    HG   LEU  28           HG       LEU  28  -7.065   1.033   0.850
  214   HD11  LEU  28          1HD1      LEU  28  -5.010   0.109  -1.182
  215   HD12  LEU  28          2HD1      LEU  28  -5.012  -0.245   0.548
  216   HD13  LEU  28          3HD1      LEU  28  -4.799   1.412  -0.006
  217   HD21  LEU  28          1HD2      LEU  28  -6.726   2.695  -0.949
  218   HD22  LEU  28          2HD2      LEU  28  -8.340   1.994  -0.982
  219   HD23  LEU  28          3HD2      LEU  28  -7.129   1.467  -2.156
  220    H    PHE  29           H        PHE  29  -9.206  -2.736   0.971
  221    HA   PHE  29           HA       PHE  29 -10.123  -4.425  -1.242
  222    HB2  PHE  29          2HB       PHE  29  -8.980  -5.105   1.499
  223    HB3  PHE  29          1HB       PHE  29  -9.587  -6.325   0.375
  224    HD1  PHE  29           HD1      PHE  29  -6.825  -4.097   1.125
  225    HD2  PHE  29           HD2      PHE  29  -8.507  -6.598  -1.897
  226    HE1  PHE  29           HE1      PHE  29  -4.702  -4.058  -0.067
  227    HE2  PHE  29           HE2      PHE  29  -6.366  -6.558  -3.109
  228    HZ   PHE  29           HZ       PHE  29  -4.469  -5.290  -2.202
  229    H    GLU  30           H        GLU  30 -11.550  -3.001   1.611
  230    HA   GLU  30           HA       GLU  30 -13.822  -4.726   1.758
  231    HB2  GLU  30          2HB       GLU  30 -13.541  -1.786   2.471
  232    HB3  GLU  30          1HB       GLU  30 -14.975  -2.749   2.811
  233    HG2  GLU  30          2HG       GLU  30 -13.536  -4.275   4.202
  234    HG3  GLU  30          1HG       GLU  30 -12.206  -3.138   3.964
  235    H    LEU  31           H        LEU  31 -13.060  -1.808  -0.118
  236    HA   LEU  31           HA       LEU  31 -15.501  -2.030  -1.728
  237    HB2  LEU  31          2HB       LEU  31 -13.131  -0.154  -2.097
  238    HB3  LEU  31          1HB       LEU  31 -14.715  -0.008  -2.842
  239    HG   LEU  31           HG       LEU  31 -13.960   0.476   0.056
  240   HD11  LEU  31          1HD1      LEU  31 -14.813   2.713  -0.313
  241   HD12  LEU  31          2HD1      LEU  31 -15.238   2.311  -1.979
  242   HD13  LEU  31          3HD1      LEU  31 -13.545   2.318  -1.474
  243   HD21  LEU  31          1HD2      LEU  31 -16.335   0.920   0.565
  244   HD22  LEU  31          2HD2      LEU  31 -16.023  -0.769   0.180
  245   HD23  LEU  31          3HD2      LEU  31 -16.790   0.280  -1.021
  246    H    ASN  32           H        ASN  32 -12.299  -3.198  -1.725
  247    HA   ASN  32           HA       ASN  32 -11.183  -4.708  -2.958
  248    HB2  ASN  32          2HB       ASN  32 -13.472  -5.826  -2.969
  249    HB3  ASN  32          1HB       ASN  32 -13.784  -5.084  -4.535
  250   HD21  ASN  32          1HD2      ASN  32 -14.012  -7.060  -5.536
  251   HD22  ASN  32          2HD2      ASN  32 -12.699  -8.134  -5.847
  252    H    ILE  33           H        ILE  33 -11.075  -1.946  -3.667
  253    HA   ILE  33           HA       ILE  33 -11.183  -1.558  -6.503
  254    HB   ILE  33           HB       ILE  33  -9.760   0.133  -4.390
  255   HG12  ILE  33          2HG1      ILE  33 -12.182  -0.158  -3.853
  256   HG13  ILE  33          1HG1      ILE  33 -11.827   1.501  -4.313
  257   HG21  ILE  33          1HG2      ILE  33 -10.020   1.986  -6.045
  258   HG22  ILE  33          2HG2      ILE  33 -10.673   0.842  -7.219
  259   HG23  ILE  33          3HG2      ILE  33  -9.004   0.680  -6.660
  260   HD11  ILE  33          1HD1      ILE  33 -13.912   0.766  -5.255
  261   HD12  ILE  33          2HD1      ILE  33 -13.122  -0.589  -6.055
  262   HD13  ILE  33          3HD1      ILE  33 -12.752   1.069  -6.544
  263    H    VAL  34           H        VAL  34  -8.397  -1.770  -4.218
  264    HA   VAL  34           HA       VAL  34  -6.533  -1.971  -6.487
  265    HB   VAL  34           HB       VAL  34  -5.998  -0.548  -4.457
  266   HG11  VAL  34          1HG1      VAL  34  -6.770  -2.073  -2.686
  267   HG12  VAL  34          2HG1      VAL  34  -5.097  -1.575  -2.429
  268   HG13  VAL  34          3HG1      VAL  34  -5.448  -3.183  -3.066
  269   HG21  VAL  34          1HG2      VAL  34  -3.914  -2.653  -5.176
  270   HG22  VAL  34          2HG2      VAL  34  -3.573  -1.109  -4.386
  271   HG23  VAL  34          3HG2      VAL  34  -4.213  -1.135  -6.028
  272    H    ASP  35           H        ASP  35  -4.939  -3.749  -6.567
  273    HA   ASP  35           HA       ASP  35  -6.207  -6.345  -5.890
  274    HB2  ASP  35          2HB       ASP  35  -6.220  -5.753  -8.313
  275    HB3  ASP  35          1HB       ASP  35  -4.479  -5.613  -8.306
  276    H    SER  36           H        SER  36  -4.805  -8.116  -5.776
  277    HA   SER  36           HA       SER  36  -2.736  -8.195  -3.916
  278    HB2  SER  36          2HB       SER  36  -3.923 -10.180  -4.312
  279    HB3  SER  36          1HB       SER  36  -3.818 -10.041  -6.061
  280    H    ALA  37           H        ALA  37  -2.536  -8.016  -7.474
  281    HA   ALA  37           HA       ALA  37   0.285  -8.460  -7.698
  282    HB1  ALA  37          1HB       ALA  37  -1.594  -7.223  -9.753
  283    HB2  ALA  37          2HB       ALA  37  -1.239  -8.943  -9.585
  284    HB3  ALA  37          3HB       ALA  37   0.038  -7.824 -10.064
  285    H    ALA  38           H        ALA  38  -1.677  -5.584  -7.162
  286    HA   ALA  38           HA       ALA  38   0.362  -3.665  -7.929
  287    HB1  ALA  38          1HB       ALA  38  -1.211  -1.967  -7.079
  288    HB2  ALA  38          2HB       ALA  38  -2.253  -3.246  -6.442
  289    HB3  ALA  38          3HB       ALA  38  -2.004  -3.092  -8.179
  290    H    ILE  39           H        ILE  39  -0.453  -5.440  -5.064
  291    HA   ILE  39           HA       ILE  39   0.403  -3.699  -3.027
  292    HB   ILE  39           HB       ILE  39   0.391  -6.758  -3.076
  293   HG12  ILE  39          2HG1      ILE  39  -1.837  -5.775  -3.463
  294   HG13  ILE  39          1HG1      ILE  39  -1.788  -6.537  -1.881
  295   HG21  ILE  39          1HG2      ILE  39   0.605  -4.925  -0.644
  296   HG22  ILE  39          2HG2      ILE  39   1.874  -5.983  -1.259
  297   HG23  ILE  39          3HG2      ILE  39   0.398  -6.679  -0.591
  298   HD11  ILE  39          1HD1      ILE  39  -2.995  -4.444  -1.844
  299   HD12  ILE  39          2HD1      ILE  39  -1.577  -3.573  -2.414
  300   HD13  ILE  39          3HD1      ILE  39  -1.565  -4.351  -0.826
  301    H    PHE  40           H        PHE  40   2.200  -5.946  -5.088
  302    HA   PHE  40           HA       PHE  40   4.714  -5.883  -3.816
  303    HB2  PHE  40          2HB       PHE  40   4.127  -7.558  -5.534
  304    HB3  PHE  40          1HB       PHE  40   4.030  -6.298  -6.761
  305    HD1  PHE  40           HD1      PHE  40   6.437  -7.819  -4.307
  306    HD2  PHE  40           HD2      PHE  40   5.968  -5.824  -8.077
  307    HE1  PHE  40           HE1      PHE  40   8.842  -8.073  -4.760
  308    HE2  PHE  40           HE2      PHE  40   8.375  -6.094  -8.511
  309    HZ   PHE  40           HZ       PHE  40   9.809  -7.217  -6.853
  310    H    ASP  41           H        ASP  41   3.154  -3.529  -5.888
  311    HA   ASP  41           HA       ASP  41   5.537  -1.935  -6.356
  312    HB2  ASP  41          2HB       ASP  41   3.723  -1.961  -8.017
  313    HB3  ASP  41          1HB       ASP  41   2.573  -1.361  -6.829
  314    H    LEU  42           H        LEU  42   2.632  -1.775  -4.281
  315    HA   LEU  42           HA       LEU  42   3.069   0.719  -3.065
  316    HB2  LEU  42          2HB       LEU  42   1.460  -1.718  -2.286
  317    HB3  LEU  42          1HB       LEU  42   1.646  -0.426  -1.114
  318    HG   LEU  42           HG       LEU  42   0.568   1.179  -2.667
  319   HD11  LEU  42          1HD1      LEU  42   0.128  -1.144  -4.546
  320   HD12  LEU  42          2HD1      LEU  42   1.199   0.227  -4.819
  321   HD13  LEU  42          3HD1      LEU  42  -0.542   0.482  -4.726
  322   HD21  LEU  42          1HD2      LEU  42  -0.829   0.017  -1.040
  323   HD22  LEU  42          2HD2      LEU  42  -1.102  -1.309  -2.173
  324   HD23  LEU  42          3HD2      LEU  42  -1.733   0.303  -2.526
  325    H    VAL  43           H        VAL  43   4.337  -2.475  -2.232
  326    HA   VAL  43           HA       VAL  43   5.420  -1.764   0.307
  327    HB   VAL  43           HB       VAL  43   6.675  -3.837   0.275
  328   HG11  VAL  43          1HG1      VAL  43   4.310  -3.971   0.750
  329   HG12  VAL  43          2HG1      VAL  43   4.844  -5.427  -0.065
  330   HG13  VAL  43          3HG1      VAL  43   3.934  -4.208  -0.952
  331   HG21  VAL  43          1HG2      VAL  43   7.574  -3.843  -2.020
  332   HG22  VAL  43          2HG2      VAL  43   5.966  -4.137  -2.675
  333   HG23  VAL  43          3HG2      VAL  43   6.752  -5.370  -1.687
  334    H    ASP  44           H        ASP  44   6.656  -1.586  -3.008
  335    HA   ASP  44           HA       ASP  44   9.378  -1.111  -2.400
  336    HB2  ASP  44          2HB       ASP  44   8.523  -1.670  -4.683
  337    HB3  ASP  44          1HB       ASP  44   7.793  -0.088  -4.784
  338    H    PHE  45           H        PHE  45   6.539   0.963  -2.771
  339    HA   PHE  45           HA       PHE  45   7.846   3.428  -2.606
  340    HB2  PHE  45          2HB       PHE  45   5.498   3.126  -3.418
  341    HB3  PHE  45          1HB       PHE  45   4.986   2.758  -1.778
  342    HD1  PHE  45           HD1      PHE  45   6.117   5.433  -4.064
  343    HD2  PHE  45           HD2      PHE  45   4.734   4.571  -0.099
  344    HE1  PHE  45           HE1      PHE  45   5.753   7.830  -3.657
  345    HE2  PHE  45           HE2      PHE  45   4.380   6.974   0.291
  346    HZ   PHE  45           HZ       PHE  45   4.887   8.601  -1.484
  347    H    LEU  46           H        LEU  46   6.151   1.479  -0.094
  348    HA   LEU  46           HA       LEU  46   6.624   3.266   2.074
  349    HB2  LEU  46          2HB       LEU  46   6.003   0.289   2.159
  350    HB3  LEU  46          1HB       LEU  46   5.887   1.388   3.528
  351    HG   LEU  46           HG       LEU  46   4.165   1.498   1.020
  352   HD11  LEU  46          1HD1      LEU  46   3.632  -0.415   2.431
  353   HD12  LEU  46          2HD1      LEU  46   2.341   0.780   2.459
  354   HD13  LEU  46          3HD1      LEU  46   3.440   0.645   3.834
  355   HD21  LEU  46          1HD2      LEU  46   2.851   3.224   2.200
  356   HD22  LEU  46          2HD2      LEU  46   4.498   3.755   1.883
  357   HD23  LEU  46          3HD2      LEU  46   4.038   3.241   3.508
  358    H    ARG  47           H        ARG  47   8.458   0.491   0.865
  359    HA   ARG  47           HA       ARG  47  10.151   0.228   3.162
  360    HB2  ARG  47          2HB       ARG  47  11.314  -1.466   1.972
  361    HB3  ARG  47          1HB       ARG  47   9.648  -1.619   1.451
  362    HG2  ARG  47          2HG       ARG  47  10.232  -0.431  -0.659
  363    HG3  ARG  47          1HG       ARG  47  11.915  -0.357  -0.131
  364    HD2  ARG  47          2HD       ARG  47  11.985  -2.840  -0.068
  365    HD3  ARG  47          1HD       ARG  47  10.313  -2.896  -0.637
  366    HE   ARG  47           HE       ARG  47  11.107  -1.777  -2.701
  367   HH11  ARG  47          1HH1      ARG  47  13.481  -3.507  -0.769
  368   HH12  ARG  47          2HH1      ARG  47  14.554  -3.761  -2.105
  369   HH21  ARG  47          1HH2      ARG  47  12.536  -2.091  -4.433
  370   HH22  ARG  47          2HH2      ARG  47  14.024  -2.964  -4.179
  371    H    GLN  48           H        GLN  48  10.246   2.001   0.171
  372    HA   GLN  48           HA       GLN  48  12.910   2.989   0.283
  373    HB2  GLN  48          2HB       GLN  48  11.449   2.911  -1.776
  374    HB3  GLN  48          1HB       GLN  48  10.429   4.151  -1.058
  375    HG2  GLN  48          2HG       GLN  48  12.462   5.683  -1.050
  376    HG3  GLN  48          1HG       GLN  48  13.293   4.447  -1.998
  377   HE21  GLN  48          1HE2      GLN  48   9.871   5.335  -2.304
  378   HE22  GLN  48          2HE2      GLN  48  10.006   5.978  -3.897
  379    H    GLU  49           H        GLU  49   9.717   4.300   1.186
  380    HA   GLU  49           HA       GLU  49  10.595   6.852   2.041
  381    HB2  GLU  49          2HB       GLU  49   7.992   5.345   2.539
  382    HB3  GLU  49          1HB       GLU  49   8.254   7.002   3.061
  383    HG2  GLU  49          2HG       GLU  49   8.092   5.955   0.226
  384    HG3  GLU  49          1HG       GLU  49   7.013   7.094   1.025
  385    H    SER  50           H        SER  50  10.164   3.828   3.717
  386    HA   SER  50           HA       SER  50  10.717   5.071   6.351
  387    HB2  SER  50          2HB       SER  50   9.823   2.230   5.753
  388    HB3  SER  50          1HB       SER  50   9.868   3.034   7.321
  389    HG   SER  50           HG       SER  50   8.097   3.363   5.192
  390    H    LYS  51           H        LYS  51  12.518   3.836   3.905
  391    HA   LYS  51           HA       LYS  51  14.686   3.271   3.684
  392    HB2  LYS  51          2HB       LYS  51  14.911   4.351   6.536
  393    HB3  LYS  51          1HB       LYS  51  16.264   4.073   5.444
  394    HG2  LYS  51          2HG       LYS  51  15.964   6.339   5.144
  395    HG3  LYS  51          1HG       LYS  51  14.946   5.730   3.849
  396    HD2  LYS  51          2HD       LYS  51  12.965   6.007   5.376
  397    HD3  LYS  51          1HD       LYS  51  14.032   6.751   6.570
  398    HE2  LYS  51          2HE       LYS  51  13.497   7.794   3.768
  399    HE3  LYS  51          1HE       LYS  51  12.810   8.441   5.257
  400    HZ1  LYS  51          1HZ       LYS  51  14.689   9.756   4.528
  401    HZ2  LYS  51          2HZ       LYS  51  15.694   8.401   4.557
  402    HZ3  LYS  51          3HZ       LYS  51  15.044   8.995   5.996
  403    H    VAL  52           H        VAL  52  12.978   1.177   4.475
  404    HA   VAL  52           HA       VAL  52  14.828  -0.699   5.801
  405    HB   VAL  52           HB       VAL  52  13.365   0.105   7.627
  406   HG11  VAL  52          1HG1      VAL  52  10.906  -0.219   7.595
  407   HG12  VAL  52          2HG1      VAL  52  11.000  -0.805   5.934
  408   HG13  VAL  52          3HG1      VAL  52  11.429   0.865   6.304
  409   HG21  VAL  52          1HG2      VAL  52  12.636  -2.737   6.789
  410   HG22  VAL  52          2HG2      VAL  52  12.434  -2.065   8.409
  411   HG23  VAL  52          3HG2      VAL  52  14.050  -2.258   7.733
  412    H    SER  53           H        SER  53  14.670  -2.738   4.899
  413    HA   SER  53           HA       SER  53  12.909  -3.099   2.592
  414    HB2  SER  53          2HB       SER  53  14.192  -5.239   2.297
  415    HB3  SER  53          1HB       SER  53  15.213  -3.805   2.314
  416    HG   SER  53           HG       SER  53  15.930  -5.660   3.589
  417    H    ILE  54           H        ILE  54  10.976  -4.006   2.783
  418    HA   ILE  54           HA       ILE  54  10.062  -5.316   5.191
  419    HB   ILE  54           HB       ILE  54   8.500  -3.867   4.016
  420   HG12  ILE  54          2HG1      ILE  54   7.551  -6.755   3.672
  421   HG13  ILE  54          1HG1      ILE  54   7.568  -5.893   5.200
  422   HG21  ILE  54          1HG2      ILE  54   9.367  -4.061   1.724
  423   HG22  ILE  54          2HG2      ILE  54   7.624  -4.331   1.756
  424   HG23  ILE  54          3HG2      ILE  54   8.724  -5.703   1.607
  425   HD11  ILE  54          1HD1      ILE  54   5.935  -5.100   2.799
  426   HD12  ILE  54          2HD1      ILE  54   5.887  -4.367   4.407
  427   HD13  ILE  54          3HD1      ILE  54   5.359  -6.036   4.176
  428    H    GLY  55           H        GLY  55   9.573  -7.497   5.471
  429    HA2  GLY  55          2HA       GLY  55  10.828  -9.445   3.756
  430    HA3  GLY  55          1HA       GLY  55   9.849  -9.776   5.178
  431    H    MET  56           H        MET  56   9.825 -10.908   2.359
  432    HA   MET  56           HA       MET  56   7.591  -9.882   0.924
  433    HB2  MET  56          2HB       MET  56   8.997 -12.554   0.592
  434    HB3  MET  56          1HB       MET  56   7.921 -11.804  -0.585
  435    HG2  MET  56          2HG       MET  56  10.646 -10.792   0.287
  436    HG3  MET  56          1HG       MET  56  10.222 -11.475  -1.280
  437    HE1  MET  56          1HE       MET  56   8.776 -10.134  -3.147
  438    HE2  MET  56          2HE       MET  56   8.018  -8.574  -2.843
  439    HE3  MET  56          3HE       MET  56   7.428 -10.015  -2.013
  440    H    GLN  57           H        GLN  57   7.775 -12.035   3.581
  441    HA   GLN  57           HA       GLN  57   5.354 -13.518   3.137
  442    HB2  GLN  57          2HB       GLN  57   7.153 -14.358   4.617
  443    HB3  GLN  57          1HB       GLN  57   6.920 -12.986   5.698
  444    HG2  GLN  57          2HG       GLN  57   4.559 -13.794   6.096
  445    HG3  GLN  57          1HG       GLN  57   4.953 -15.237   5.165
  446   HE21  GLN  57          1HE2      GLN  57   4.135 -14.903   7.965
  447   HE22  GLN  57          2HE2      GLN  57   5.361 -15.686   8.899
  448    H    GLU  58           H        GLU  58   6.173 -10.436   4.656
  449    HA   GLU  58           HA       GLU  58   3.686 -10.046   6.082
  450    HB2  GLU  58          2HB       GLU  58   5.814  -7.985   5.347
  451    HB3  GLU  58          1HB       GLU  58   4.575  -7.822   6.589
  452    HG2  GLU  58          2HG       GLU  58   6.960  -9.685   6.608
  453    HG3  GLU  58          1HG       GLU  58   6.686  -8.291   7.649
  454    H    ILE  59           H        ILE  59   4.870  -9.479   2.936
  455    HA   ILE  59           HA       ILE  59   3.134  -7.391   2.088
  456    HB   ILE  59           HB       ILE  59   4.738  -9.393   0.438
  457   HG12  ILE  59          2HG1      ILE  59   5.501  -6.628   1.490
  458   HG13  ILE  59          1HG1      ILE  59   6.189  -8.161   2.008
  459   HG21  ILE  59          1HG2      ILE  59   3.021  -8.276  -0.887
  460   HG22  ILE  59          2HG2      ILE  59   4.619  -7.701  -1.360
  461   HG23  ILE  59          3HG2      ILE  59   3.582  -6.697  -0.342
  462   HD11  ILE  59          1HD1      ILE  59   7.694  -6.989   0.560
  463   HD12  ILE  59          2HD1      ILE  59   6.469  -6.907  -0.707
  464   HD13  ILE  59          3HD1      ILE  59   7.133  -8.468  -0.217
  465    H    HIS  60           H        HIS  60   1.022  -8.239   2.763
  466    HA   HIS  60           HA       HIS  60  -0.162  -9.569   0.445
  467    HB2  HIS  60          2HB       HIS  60   0.069 -11.097   2.729
  468    HB3  HIS  60          1HB       HIS  60  -1.507 -10.362   3.004
  469    HD1  HIS  60           HD1      HIS  60   0.214 -12.146   0.083
  470    HD2  HIS  60           HD2      HIS  60  -3.520 -11.805   1.883
  471    HE1  HIS  60           HE1      HIS  60  -1.298 -13.693  -1.195
  472    HE2  HIS  60           HE2      HIS  60  -3.462 -13.643   0.069
  473    HA   PRO  61           HA       PRO  61  -3.456  -6.443   0.188
  474    HB2  PRO  61          2HB       PRO  61  -4.975  -9.052   0.549
  475    HB3  PRO  61          1HB       PRO  61  -5.362  -7.681  -0.511
  476    HG2  PRO  61          2HG       PRO  61  -4.076  -9.865  -1.413
  477    HG3  PRO  61          1HG       PRO  61  -3.770  -8.241  -2.076
  478    HD2  PRO  61          2HD       PRO  61  -1.977  -9.943  -0.516
  479    HD3  PRO  61          1HD       PRO  61  -1.604  -8.420  -1.326
  480    H    ALA  62           H        ALA  62  -3.919  -8.997   2.657
  481    HA   ALA  62           HA       ALA  62  -5.893  -7.795   4.214
  482    HB1  ALA  62          1HB       ALA  62  -5.248 -10.165   4.425
  483    HB2  ALA  62          2HB       ALA  62  -5.217  -9.365   5.996
  484    HB3  ALA  62          3HB       ALA  62  -3.705  -9.689   5.140
  485    H    ASN  63           H        ASN  63  -2.387  -7.434   4.349
  486    HA   ASN  63           HA       ASN  63  -2.343  -5.803   6.748
  487    HB2  ASN  63          2HB       ASN  63  -0.130  -6.508   4.757
  488    HB3  ASN  63          1HB       ASN  63   0.114  -5.669   6.287
  489   HD21  ASN  63          1HD2      ASN  63   1.516  -7.257   7.047
  490   HD22  ASN  63          2HD2      ASN  63   0.978  -8.817   7.548
  491    H    PHE  64           H        PHE  64  -2.490  -5.314   3.300
  492    HA   PHE  64           HA       PHE  64  -1.889  -2.417   3.507
  493    HB2  PHE  64          2HB       PHE  64  -1.869  -4.331   1.117
  494    HB3  PHE  64          1HB       PHE  64  -1.648  -2.587   0.977
  495    HD1  PHE  64           HD1      PHE  64  -0.198  -5.636   2.564
  496    HD2  PHE  64           HD2      PHE  64   0.501  -1.612   1.296
  497    HE1  PHE  64           HE1      PHE  64   2.181  -5.907   3.051
  498    HE2  PHE  64           HE2      PHE  64   2.889  -1.893   1.798
  499    HZ   PHE  64           HZ       PHE  64   3.718  -4.035   2.675
  500    H    ALA  65           H        ALA  65  -4.438  -3.914   4.162
  501    HA   ALA  65           HA       ALA  65  -6.499  -3.367   2.378
  502    HB1  ALA  65          1HB       ALA  65  -8.003  -3.664   4.277
  503    HB2  ALA  65          2HB       ALA  65  -6.645  -3.478   5.392
  504    HB3  ALA  65          3HB       ALA  65  -6.706  -4.861   4.297
  505    H    THR  66           H        THR  66  -4.964  -1.231   4.692
  506    HA   THR  66           HA       THR  66  -6.100   1.105   3.342
  507    HB   THR  66           HB       THR  66  -6.511   2.308   5.554
  508    HG1  THR  66           HG1      THR  66  -6.417  -0.322   6.665
  509   HG21  THR  66          1HG2      THR  66  -8.727   1.349   6.052
  510   HG22  THR  66          2HG2      THR  66  -8.317  -0.106   5.145
  511   HG23  THR  66          3HG2      THR  66  -8.469   1.439   4.306
  512    H    VAL  67           H        VAL  67  -4.877   3.113   4.098
  513    HA   VAL  67           HA       VAL  67  -2.078   2.704   4.131
  514    HB   VAL  67           HB       VAL  67  -3.217   4.834   3.349
  515   HG11  VAL  67          1HG1      VAL  67  -3.640   6.664   4.962
  516   HG12  VAL  67          2HG1      VAL  67  -3.319   5.564   6.305
  517   HG13  VAL  67          3HG1      VAL  67  -4.706   5.286   5.252
  518   HG21  VAL  67          1HG2      VAL  67  -0.773   4.700   3.560
  519   HG22  VAL  67          2HG2      VAL  67  -0.870   5.192   5.250
  520   HG23  VAL  67          3HG2      VAL  67  -1.340   6.318   3.976
  521    H    GLN  68           H        GLN  68  -4.454   3.135   6.669
  522    HA   GLN  68           HA       GLN  68  -2.793   3.597   8.882
  523    HB2  GLN  68          2HB       GLN  68  -5.251   3.900   8.925
  524    HB3  GLN  68          1HB       GLN  68  -5.495   2.175   8.672
  525    HG2  GLN  68          2HG       GLN  68  -4.440   1.745  10.905
  526    HG3  GLN  68          1HG       GLN  68  -4.326   3.489  11.147
  527   HE21  GLN  68          1HE2      GLN  68  -6.262   4.675  11.463
  528   HE22  GLN  68          2HE2      GLN  68  -7.727   3.896  11.941
  529    H    SER  69           H        SER  69  -4.152   0.574   7.568
  530    HA   SER  69           HA       SER  69  -2.981  -1.229   9.381
  531    HB2  SER  69          2HB       SER  69  -3.855  -1.748   6.503
  532    HB3  SER  69          1HB       SER  69  -3.671  -2.964   7.770
  533    HG   SER  69           HG       SER  69  -5.423  -2.143   8.811
  534    H    MET  70           H        MET  70  -1.826   0.048   6.249
  535    HA   MET  70           HA       MET  70   0.311  -1.875   6.013
  536    HB2  MET  70          2HB       MET  70   0.800  -0.908   3.889
  537    HB3  MET  70          1HB       MET  70  -0.952  -0.887   4.045
  538    HG2  MET  70          2HG       MET  70  -0.893   1.499   4.554
  539    HG3  MET  70          1HG       MET  70   0.864   1.498   4.469
  540    HE1  MET  70          1HE       MET  70  -2.482   1.059   2.392
  541    HE2  MET  70          2HE       MET  70  -1.638  -0.455   2.064
  542    HE3  MET  70          3HE       MET  70  -1.839   0.739   0.782
  543    H    VAL  71           H        VAL  71   0.062   1.552   6.999
  544    HA   VAL  71           HA       VAL  71   2.893   2.010   7.209
  545    HB   VAL  71           HB       VAL  71   0.535   3.525   8.446
  546   HG11  VAL  71          1HG1      VAL  71   2.132   5.359   9.007
  547   HG12  VAL  71          2HG1      VAL  71   3.482   4.338   8.509
  548   HG13  VAL  71          3HG1      VAL  71   2.501   3.884   9.903
  549   HG21  VAL  71          1HG2      VAL  71   0.688   3.679   5.993
  550   HG22  VAL  71          2HG2      VAL  71   2.361   4.230   6.110
  551   HG23  VAL  71          3HG2      VAL  71   1.052   5.237   6.733
  552    H    ALA  72           H        ALA  72   0.336   1.010   9.476
  553    HA   ALA  72           HA       ALA  72   1.880   0.982  11.830
  554    HB1  ALA  72          1HB       ALA  72   0.121  -0.449  12.787
  555    HB2  ALA  72          2HB       ALA  72  -0.560  -0.694  11.176
  556    HB3  ALA  72          3HB       ALA  72  -0.572   0.914  11.901
  557    H    LEU  73           H        LEU  73   1.377  -1.422   9.275
  558    HA   LEU  73           HA       LEU  73   2.623  -3.667  10.418
  559    HB2  LEU  73          2HB       LEU  73   1.339  -4.132   8.509
  560    HB3  LEU  73          1HB       LEU  73   1.886  -2.694   7.664
  561    HG   LEU  73           HG       LEU  73   4.140  -3.839   7.391
  562   HD11  LEU  73          1HD1      LEU  73   3.937  -5.572   9.106
  563   HD12  LEU  73          2HD1      LEU  73   4.231  -6.297   7.529
  564   HD13  LEU  73          3HD1      LEU  73   2.607  -6.332   8.222
  565   HD21  LEU  73          1HD2      LEU  73   1.767  -5.092   5.998
  566   HD22  LEU  73          2HD2      LEU  73   3.435  -5.077   5.419
  567   HD23  LEU  73          3HD2      LEU  73   2.544  -3.564   5.576
  568    H    VAL  74           H        VAL  74   3.838  -0.938   8.470
  569    HA   VAL  74           HA       VAL  74   6.515  -1.786   8.230
  570    HB   VAL  74           HB       VAL  74   5.420   1.066   8.240
  571   HG11  VAL  74          1HG1      VAL  74   8.154   0.076   7.319
  572   HG12  VAL  74          2HG1      VAL  74   7.835   1.094   8.724
  573   HG13  VAL  74          3HG1      VAL  74   7.532   1.714   7.103
  574   HG21  VAL  74          1HG2      VAL  74   6.085  -0.768   5.890
  575   HG22  VAL  74          2HG2      VAL  74   5.531   0.903   5.764
  576   HG23  VAL  74          3HG2      VAL  74   4.465  -0.331   6.433
  577    H    GLN  75           H        GLN  75   4.854   0.131  10.732
  578    HA   GLN  75           HA       GLN  75   7.103   0.823  12.313
  579    HB2  GLN  75          2HB       GLN  75   4.237   0.357  13.251
  580    HB3  GLN  75          1HB       GLN  75   5.477   1.245  14.134
  581    HG2  GLN  75          2HG       GLN  75   5.522   2.949  12.325
  582    HG3  GLN  75          1HG       GLN  75   4.266   2.048  11.473
  583   HE21  GLN  75          1HE2      GLN  75   2.859   3.803  11.523
  584   HE22  GLN  75          2HE2      GLN  75   2.061   4.324  12.962
  585    H    ARG  76           H        ARG  76   5.222  -2.153  12.122
  586    HA   ARG  76           HA       ARG  76   6.124  -3.481  14.481
  587    HB2  ARG  76          2HB       ARG  76   5.319  -4.779  11.836
  588    HB3  ARG  76          1HB       ARG  76   5.304  -5.539  13.424
  589    HG2  ARG  76          2HG       ARG  76   3.534  -3.220  12.604
  590    HG3  ARG  76          1HG       ARG  76   3.037  -4.907  12.574
  591    HD2  ARG  76          2HD       ARG  76   3.983  -3.507  15.094
  592    HD3  ARG  76          1HD       ARG  76   2.289  -3.552  14.598
  593    HE   ARG  76           HE       ARG  76   2.773  -6.119  14.563
  594   HH11  ARG  76          1HH1      ARG  76   3.905  -3.858  16.992
  595   HH12  ARG  76          2HH1      ARG  76   3.917  -5.049  18.253
  596   HH21  ARG  76          1HH2      ARG  76   2.751  -7.641  16.200
  597   HH22  ARG  76          2HH2      ARG  76   3.259  -7.205  17.801
  598    H    LEU  77           H        LEU  77   7.203  -3.728  11.062
  599    HA   LEU  77           HA       LEU  77   9.428  -5.437  11.675
  600    HB2  LEU  77          2HB       LEU  77  10.001  -5.167   9.231
  601    HB3  LEU  77          1HB       LEU  77   8.397  -5.783   9.578
  602    HG   LEU  77           HG       LEU  77   7.584  -3.332   9.225
  603   HD11  LEU  77          1HD1      LEU  77   8.914  -1.972   7.643
  604   HD12  LEU  77          2HD1      LEU  77  10.276  -3.078   7.853
  605   HD13  LEU  77          3HD1      LEU  77   9.672  -2.137   9.231
  606   HD21  LEU  77          1HD2      LEU  77   7.002  -5.146   7.736
  607   HD22  LEU  77          2HD2      LEU  77   8.522  -4.961   6.857
  608   HD23  LEU  77          3HD2      LEU  77   7.314  -3.673   6.822
  609    H    LYS  78           H        LYS  78   9.048  -2.035  11.749
  610    HA   LYS  78           HA       LYS  78  11.794  -1.252  11.548
  611    HB2  LYS  78          2HB       LYS  78   9.408   0.030  12.923
  612    HB3  LYS  78          1HB       LYS  78  10.990   0.785  12.869
  613    HG2  LYS  78          2HG       LYS  78   9.224   0.144  10.491
  614    HG3  LYS  78          1HG       LYS  78   9.491   1.740  11.181
  615    HD2  LYS  78          2HD       LYS  78  11.639   0.012   9.896
  616    HD3  LYS  78          1HD       LYS  78  10.790   1.329   9.090
  617    HE2  LYS  78          2HE       LYS  78  11.717   2.927  10.729
  618    HE3  LYS  78          1HE       LYS  78  12.572   1.608  11.534
  619    HZ1  LYS  78          1HZ       LYS  78  13.810   1.218   9.504
  620    HZ2  LYS  78          2HZ       LYS  78  14.003   2.818  10.011
  621    HZ3  LYS  78          3HZ       LYS  78  12.974   2.464   8.722
  622    H    ALA  79           H        ALA  79   9.692  -2.344  14.162
  623    HA   ALA  79           HA       ALA  79  11.603  -1.940  16.282
  624    HB1  ALA  79          1HB       ALA  79   9.171  -1.822  16.692
  625    HB2  ALA  79          2HB       ALA  79   9.925  -3.061  17.694
  626    HB3  ALA  79          3HB       ALA  79   9.003  -3.527  16.261
  627    H    HIS  80           H        HIS  80  10.710  -4.548  14.115
  628    HA   HIS  80           HA       HIS  80  12.293  -6.577  15.542
  629    HB2  HIS  80          2HB       HIS  80  10.477  -6.716  13.089
  630    HB3  HIS  80          1HB       HIS  80  11.432  -8.085  13.654
  631    HD1  HIS  80           HD1      HIS  80  10.001  -9.657  14.893
  632    HD2  HIS  80           HD2      HIS  80   8.810  -5.741  15.558
  633    HE1  HIS  80           HE1      HIS  80   8.003  -9.813  16.389
  634    HE2  HIS  80           HE2      HIS  80   7.398  -7.426  16.903
  635    HA   PRO  81           HA       PRO  81  15.960  -5.999  12.874
  636    HB2  PRO  81          2HB       PRO  81  16.860  -8.669  12.853
  637    HB3  PRO  81          1HB       PRO  81  17.193  -7.509  14.155
  638    HG2  PRO  81          2HG       PRO  81  15.045  -9.609  14.021
  639    HG3  PRO  81          1HG       PRO  81  16.107  -9.174  15.383
  640    HD2  PRO  81          2HD       PRO  81  13.577  -8.294  15.318
  641    HD3  PRO  81          1HD       PRO  81  14.874  -7.222  15.892
  642    H    GLU  82           H        GLU  82  13.742  -8.715  12.277
  643    HA   GLU  82           HA       GLU  82  13.263  -7.837   9.559
  644    HB2  GLU  82          2HB       GLU  82  13.689 -10.002   8.505
  645    HB3  GLU  82          1HB       GLU  82  15.168  -9.453   9.285
  646    HG2  GLU  82          2HG       GLU  82  14.893 -11.013  11.100
  647    HG3  GLU  82          1HG       GLU  82  13.268 -11.440  10.574
  648    H    GLN  83           H        GLN  83  11.310  -8.848   8.702
  649    HA   GLN  83           HA       GLN  83   9.866 -10.740  10.444
  650    HB2  GLN  83          2HB       GLN  83   8.642  -8.267   9.127
  651    HB3  GLN  83          1HB       GLN  83   7.692  -9.602   9.763
  652    HG2  GLN  83          2HG       GLN  83   8.791  -9.124  12.021
  653    HG3  GLN  83          1HG       GLN  83   9.386  -7.629  11.307
  654   HE21  GLN  83          1HE2      GLN  83   6.841  -7.299   9.699
  655   HE22  GLN  83          2HE2      GLN  83   5.666  -6.770  10.842
  656    H    GLY  84           H        GLY  84   9.988 -12.538   9.224
  657    HA2  GLY  84          2HA       GLY  84   9.399 -14.023   7.590
  658    HA3  GLY  84          1HA       GLY  84   8.420 -12.759   6.870
  659    H    GLY  85           H        GLY  85  11.908 -12.549   7.404
  660    HA2  GLY  85          2HA       GLY  85  13.469 -13.419   5.687
  661    HA3  GLY  85          1HA       GLY  85  12.386 -12.765   4.469
  662    H    ALA  86           H        ALA  86  15.074 -12.108   6.482
  663    HA   ALA  86           HA       ALA  86  15.215  -9.277   6.215
  664    HB1  ALA  86          1HB       ALA  86  17.642  -9.553   6.643
  665    HB2  ALA  86          2HB       ALA  86  17.490 -11.299   6.431
  666    HB3  ALA  86          3HB       ALA  86  16.685 -10.502   7.784
  667    H    ALA  87           H        ALA  87  14.689  -8.633   4.161
  668    HA   ALA  87           HA       ALA  87  15.603 -10.104   1.805
  669    HB1  ALA  87          1HB       ALA  87  13.557  -7.866   2.084
  670    HB2  ALA  87          2HB       ALA  87  13.202  -9.594   2.051
  671    HB3  ALA  87          3HB       ALA  87  13.868  -8.807   0.620
  672    H    LEU  88           H        LEU  88  17.725  -9.444   1.441
  673    HA   LEU  88           HA       LEU  88  18.266  -6.620   0.805
  674    HB2  LEU  88          2HB       LEU  88  20.086  -9.073   0.777
  675    HB3  LEU  88          1HB       LEU  88  20.588  -7.470   0.271
  676    HG   LEU  88           HG       LEU  88  20.023  -6.671   2.669
  677   HD11  LEU  88          1HD1      LEU  88  20.036  -8.328   4.471
  678   HD12  LEU  88          2HD1      LEU  88  20.037  -9.641   3.290
  679   HD13  LEU  88          3HD1      LEU  88  18.651  -8.553   3.403
  680   HD21  LEU  88          1HD2      LEU  88  22.180  -7.391   3.595
  681   HD22  LEU  88          2HD2      LEU  88  22.335  -6.905   1.911
  682   HD23  LEU  88          3HD2      LEU  88  22.332  -8.619   2.334
  683    H    GLU  89           H        GLU  89  18.623  -5.939  -1.313
  684    HA   GLU  89           HA       GLU  89  17.413  -7.669  -3.385
  685    HB2  GLU  89          2HB       GLU  89  16.974  -5.449  -4.543
  686    HB3  GLU  89          1HB       GLU  89  16.143  -5.672  -3.013
  687    HG2  GLU  89          2HG       GLU  89  17.991  -4.272  -1.942
  688    HG3  GLU  89          1HG       GLU  89  18.540  -3.904  -3.572
  689   H282  PNS 101          3H28      PNS 136   1.078 -10.011  -5.292
  690   H281  PNS 101          2H28      PNS 136   0.782 -11.699  -4.899
  691   H303  PNS 101          3H51      PNS 136   1.189 -11.262  -1.778
  692   H302  PNS 101          2H51      PNS 136   1.795 -12.648  -2.677
  693   H301  PNS 101          1H51      PNS 136   2.918 -11.637  -1.757
  694   H313  PNS 101          3H52      PNS 136   3.386  -9.265  -2.560
  695   H312  PNS 101          2H52      PNS 136   1.660  -8.920  -2.572
  696   H311  PNS 101          1H52      PNS 136   2.639  -8.651  -4.034
  697    H32  PNS 101           H32      PNS 136   3.141 -12.168  -4.931
  698    H33  PNS 101           H33      PNS 136   4.069  -9.506  -5.101
  699    H36  PNS 101           H36      PNS 136   4.367 -13.383  -3.778
  700   H372  PNS 101          3H37      PNS 136   6.111 -13.032  -1.690
  701   H371  PNS 101          2H37      PNS 136   6.155 -14.363  -2.845
  702   H382  PNS 101          3H38      PNS 136   7.592 -11.712  -3.099
  703   H381  PNS 101          2H38      PNS 136   8.333 -13.277  -2.808
  704    H41  PNS 101           H41      PNS 136   6.679 -11.264  -5.107
  705   H422  PNS 101          3H42      PNS 136   6.239 -12.544  -7.392
  706   H421  PNS 101          2H42      PNS 136   7.994 -12.382  -7.440
  707   H431  PNS 101          2H43      PNS 136   5.983 -10.106  -7.213
  708   H432  PNS 101          3H43      PNS 136   7.747  -9.911  -7.213
  709    H44  PNS 101           H44      PNS 136   8.065 -11.023  -9.780
  Start of MODEL    3
    1    H1   MET   1          1H        MET   1   0.107  13.648   2.184
    2    H2   MET   1          2H        MET   1   0.956  14.782   3.108
    3    H3   MET   1          3H        MET   1   1.162  13.131   3.398
    4    HA   MET   1           HA       MET   1   1.871  14.518   0.885
    5    HB2  MET   1          2HB       MET   1   3.345  15.268   2.699
    6    HB3  MET   1          1HB       MET   1   3.653  13.605   3.183
    7    HG2  MET   1          2HG       MET   1   5.553  14.584   1.936
    8    HG3  MET   1          1HG       MET   1   4.875  13.183   1.109
    9    HE1  MET   1          1HE       MET   1   5.225  17.119   1.105
   10    HE2  MET   1          2HE       MET   1   3.470  16.936   1.180
   11    HE3  MET   1          3HE       MET   1   4.231  17.562  -0.282
   12    H    LEU   2           H        LEU   2   2.373  11.647   2.910
   13    HA   LEU   2           HA       LEU   2   3.495   9.894   1.041
   14    HB2  LEU   2          2HB       LEU   2   3.402   9.681   3.588
   15    HB3  LEU   2          1HB       LEU   2   1.732   9.180   3.419
   16    HG   LEU   2           HG       LEU   2   2.620   7.232   1.958
   17   HD11  LEU   2          1HD1      LEU   2   5.259   8.070   3.193
   18   HD12  LEU   2          2HD1      LEU   2   4.831   8.110   1.479
   19   HD13  LEU   2          3HD1      LEU   2   4.954   6.567   2.317
   20   HD21  LEU   2          1HD2      LEU   2   3.350   7.247   4.908
   21   HD22  LEU   2          2HD2      LEU   2   3.140   5.818   3.892
   22   HD23  LEU   2          3HD2      LEU   2   1.765   6.868   4.225
   23    H    GLU   3           H        GLU   3   0.196  10.707   1.780
   24    HA   GLU   3           HA       GLU   3  -1.113   8.350   0.958
   25    HB2  GLU   3          2HB       GLU   3  -2.369  11.123   1.250
   26    HB3  GLU   3          1HB       GLU   3  -3.203   9.578   1.291
   27    HG2  GLU   3          2HG       GLU   3  -3.101  10.053   3.551
   28    HG3  GLU   3          1HG       GLU   3  -1.647   9.093   3.357
   29    H    SER   4           H        SER   4  -0.957  11.555  -0.622
   30    HA   SER   4           HA       SER   4  -2.582  10.876  -2.835
   31    HB2  SER   4          2HB       SER   4  -1.651  13.018  -3.828
   32    HB3  SER   4          1HB       SER   4  -2.307  13.202  -2.205
   33    HG   SER   4           HG       SER   4   0.164  13.735  -3.069
   34    H    LYS   5           H        LYS   5   0.910  10.623  -2.309
   35    HA   LYS   5           HA       LYS   5   1.466  10.142  -5.122
   36    HB2  LYS   5          2HB       LYS   5   3.852   9.920  -4.361
   37    HB3  LYS   5          1HB       LYS   5   3.100  11.457  -3.960
   38    HG2  LYS   5          2HG       LYS   5   2.793  10.710  -1.633
   39    HG3  LYS   5          1HG       LYS   5   3.522   9.160  -2.028
   40    HD2  LYS   5          2HD       LYS   5   4.911  11.871  -2.099
   41    HD3  LYS   5          1HD       LYS   5   5.146  10.608  -0.890
   42    HE2  LYS   5          2HE       LYS   5   5.959   9.103  -2.786
   43    HE3  LYS   5          1HE       LYS   5   5.953  10.534  -3.817
   44    HZ1  LYS   5          1HZ       LYS   5   8.127  10.067  -2.894
   45    HZ2  LYS   5          2HZ       LYS   5   7.524  10.206  -1.323
   46    HZ3  LYS   5          3HZ       LYS   5   7.551  11.557  -2.343
   47    H    LEU   6           H        LEU   6   0.865   8.108  -2.270
   48    HA   LEU   6           HA       LEU   6   1.983   5.728  -3.463
   49    HB2  LEU   6          2HB       LEU   6   1.226   4.464  -1.608
   50    HB3  LEU   6          1HB       LEU   6   1.780   5.999  -0.995
   51    HG   LEU   6           HG       LEU   6  -0.843   6.569  -1.044
   52   HD11  LEU   6          1HD1      LEU   6  -0.863   3.557  -0.667
   53   HD12  LEU   6          2HD1      LEU   6  -1.590   4.455  -2.003
   54   HD13  LEU   6          3HD1      LEU   6  -2.222   4.649  -0.371
   55   HD21  LEU   6          1HD2      LEU   6  -0.948   6.001   1.348
   56   HD22  LEU   6          2HD2      LEU   6   0.618   6.693   0.935
   57   HD23  LEU   6          3HD2      LEU   6   0.469   4.950   1.172
   58    H    ILE   7           H        ILE   7  -1.175   7.246  -3.326
   59    HA   ILE   7           HA       ILE   7  -2.587   5.161  -4.703
   60    HB   ILE   7           HB       ILE   7  -3.284   8.083  -4.177
   61   HG12  ILE   7          2HG1      ILE   7  -3.235   6.645  -2.165
   62   HG13  ILE   7          1HG1      ILE   7  -4.890   7.120  -2.528
   63   HG21  ILE   7          1HG2      ILE   7  -4.434   7.377  -6.248
   64   HG22  ILE   7          2HG2      ILE   7  -5.591   7.596  -4.938
   65   HG23  ILE   7          3HG2      ILE   7  -5.106   5.966  -5.421
   66   HD11  ILE   7          1HD1      ILE   7  -3.639   4.452  -3.156
   67   HD12  ILE   7          2HD1      ILE   7  -5.304   4.928  -3.519
   68   HD13  ILE   7          3HD1      ILE   7  -4.767   4.811  -1.846
   69    H    ASN   8           H        ASN   8  -1.445   8.400  -5.670
   70    HA   ASN   8           HA       ASN   8  -2.112   8.510  -8.319
   71    HB2  ASN   8          2HB       ASN   8  -1.120  10.452  -7.321
   72    HB3  ASN   8          1HB       ASN   8   0.359   9.591  -6.923
   73   HD21  ASN   8          1HD2      ASN   8   1.973   9.430  -8.459
   74   HD22  ASN   8          2HD2      ASN   8   1.917  10.219  -9.993
   75    H    HIS   9           H        HIS   9   0.626   6.775  -6.945
   76    HA   HIS   9           HA       HIS   9   2.179   6.271  -9.183
   77    HB2  HIS   9          2HB       HIS   9   2.803   5.759  -6.810
   78    HB3  HIS   9          1HB       HIS   9   1.711   4.383  -6.828
   79    HD1  HIS   9           HD1      HIS   9   5.149   4.932  -6.921
   80    HD2  HIS   9           HD2      HIS   9   2.612   2.633  -9.279
   81    HE1  HIS   9           HE1      HIS   9   6.610   3.191  -7.974
   82    HE2  HIS   9           HE2      HIS   9   5.001   1.683  -9.203
   83    H    ILE  10           H        ILE  10  -0.147   3.859  -7.809
   84    HA   ILE  10           HA       ILE  10  -0.213   2.454 -10.357
   85    HB   ILE  10           HB       ILE  10  -1.993   1.012  -9.033
   86   HG12  ILE  10          2HG1      ILE  10  -1.372   0.871  -6.553
   87   HG13  ILE  10          1HG1      ILE  10  -0.535   2.396  -6.743
   88   HG21  ILE  10          1HG2      ILE  10   0.101   0.110  -9.836
   89   HG22  ILE  10          2HG2      ILE  10  -0.217  -0.488  -8.207
   90   HG23  ILE  10          3HG2      ILE  10   0.967   0.797  -8.460
   91   HD11  ILE  10          1HD1      ILE  10  -3.483   1.922  -7.120
   92   HD12  ILE  10          2HD1      ILE  10  -2.644   3.462  -7.328
   93   HD13  ILE  10          3HD1      ILE  10  -2.697   2.696  -5.738
   94    H    ALA  11           H        ALA  11  -2.318   4.667  -8.635
   95    HA   ALA  11           HA       ALA  11  -4.771   4.277  -9.883
   96    HB1  ALA  11          1HB       ALA  11  -4.448   5.822  -7.981
   97    HB2  ALA  11          2HB       ALA  11  -5.293   6.612  -9.315
   98    HB3  ALA  11          3HB       ALA  11  -3.579   6.940  -9.031
   99    H    THR  12           H        THR  12  -1.826   5.668 -11.174
  100    HA   THR  12           HA       THR  12  -2.900   7.007 -13.437
  101    HB   THR  12           HB       THR  12  -0.159   5.718 -13.113
  102    HG1  THR  12           HG1      THR  12  -1.207   7.767 -11.859
  103   HG21  THR  12          1HG2      THR  12   0.599   7.286 -14.880
  104   HG22  THR  12          2HG2      THR  12  -1.059   7.844 -15.106
  105   HG23  THR  12          3HG2      THR  12  -0.624   6.181 -15.505
  106    H    GLN  13           H        GLN  13  -1.824   3.648 -12.900
  107    HA   GLN  13           HA       GLN  13  -2.511   2.865 -15.668
  108    HB2  GLN  13          2HB       GLN  13  -1.357   0.716 -15.132
  109    HB3  GLN  13          1HB       GLN  13  -0.315   2.118 -14.925
  110    HG2  GLN  13          2HG       GLN  13  -0.564   2.005 -12.501
  111    HG3  GLN  13          1HG       GLN  13  -1.719   0.684 -12.649
  112   HE21  GLN  13          1HE2      GLN  13   0.862   0.813 -11.238
  113   HE22  GLN  13          2HE2      GLN  13   1.795  -0.498 -11.855
  114    H    PHE  14           H        PHE  14  -3.937   2.895 -12.617
  115    HA   PHE  14           HA       PHE  14  -5.606   0.496 -13.060
  116    HB2  PHE  14          2HB       PHE  14  -4.629   1.953 -10.596
  117    HB3  PHE  14          1HB       PHE  14  -6.196   1.180 -10.474
  118    HD1  PHE  14           HD1      PHE  14  -5.459  -0.339  -8.726
  119    HD2  PHE  14           HD2      PHE  14  -3.491  -0.309 -12.540
  120    HE1  PHE  14           HE1      PHE  14  -4.413  -2.496  -8.219
  121    HE2  PHE  14           HE2      PHE  14  -2.455  -2.461 -12.016
  122    HZ   PHE  14           HZ       PHE  14  -2.918  -3.562  -9.868
  123    H    LEU  15           H        LEU  15  -5.782   4.007 -12.708
  124    HA   LEU  15           HA       LEU  15  -8.765   3.918 -12.861
  125    HB2  LEU  15          2HB       LEU  15  -7.186   5.899 -11.186
  126    HB3  LEU  15          1HB       LEU  15  -8.929   5.693 -11.230
  127    HG   LEU  15           HG       LEU  15  -6.929   3.727 -10.030
  128   HD11  LEU  15          1HD1      LEU  15  -7.778   4.414  -7.892
  129   HD12  LEU  15          2HD1      LEU  15  -8.911   5.546  -8.626
  130   HD13  LEU  15          3HD1      LEU  15  -7.171   5.813  -8.759
  131   HD21  LEU  15          1HD2      LEU  15  -8.884   2.517 -10.907
  132   HD22  LEU  15          2HD2      LEU  15  -9.982   3.584 -10.024
  133   HD23  LEU  15          3HD2      LEU  15  -8.884   2.512  -9.146
  134    H    ASP  16           H        ASP  16  -6.141   4.808 -14.553
  135    HA   ASP  16           HA       ASP  16  -5.701   6.198 -16.288
  136    HB2  ASP  16          2HB       ASP  16  -8.281   5.856 -16.683
  137    HB3  ASP  16          1HB       ASP  16  -8.458   7.469 -16.040
  138    H    GLY  17           H        GLY  17  -5.121   6.912 -13.567
  139    HA2  GLY  17          2HA       GLY  17  -3.969   8.610 -12.535
  140    HA3  GLY  17          1HA       GLY  17  -4.273   9.639 -13.918
  141    H    GLU  18           H        GLU  18  -7.010   8.179 -12.381
  142    HA   GLU  18           HA       GLU  18  -7.763  10.775 -11.165
  143    HB2  GLU  18          2HB       GLU  18  -9.950  10.425 -11.843
  144    HB3  GLU  18          1HB       GLU  18  -9.177   9.427 -13.077
  145    HG2  GLU  18          2HG       GLU  18  -9.621   7.416 -11.668
  146    HG3  GLU  18          1HG       GLU  18 -10.469   8.436 -10.507
  147    H    LYS  19           H        LYS  19  -8.510  10.783  -8.988
  148    HA   LYS  19           HA       LYS  19  -8.182   8.267  -7.449
  149    HB2  LYS  19          2HB       LYS  19  -8.517  11.099  -6.389
  150    HB3  LYS  19          1HB       LYS  19  -8.248   9.646  -5.427
  151    HG2  LYS  19          2HG       LYS  19  -6.032   9.468  -6.905
  152    HG3  LYS  19          1HG       LYS  19  -6.297  11.205  -7.107
  153    HD2  LYS  19          2HD       LYS  19  -5.970   9.690  -4.485
  154    HD3  LYS  19          1HD       LYS  19  -4.808  10.810  -5.196
  155    HE2  LYS  19          2HE       LYS  19  -6.340  12.686  -4.824
  156    HE3  LYS  19          1HE       LYS  19  -7.589  11.589  -4.237
  157    HZ1  LYS  19          1HZ       LYS  19  -6.524  12.639  -2.413
  158    HZ2  LYS  19          2HZ       LYS  19  -4.989  12.167  -2.941
  159    HZ3  LYS  19          3HZ       LYS  19  -6.090  11.002  -2.401
  160    H    ASP  20           H        ASP  20 -10.024   7.182  -7.670
  161    HA   ASP  20           HA       ASP  20 -12.420   8.152  -6.406
  162    HB2  ASP  20          2HB       ASP  20 -12.763   9.141  -8.638
  163    HB3  ASP  20          1HB       ASP  20 -12.508   7.573  -9.402
  164    H    GLY  21           H        GLY  21 -12.992   6.506  -5.214
  165    HA2  GLY  21          2HA       GLY  21 -13.680   4.346  -4.664
  166    HA3  GLY  21          1HA       GLY  21 -13.054   3.744  -6.193
  167    H    LEU  22           H        LEU  22 -10.460   5.128  -5.769
  168    HA   LEU  22           HA       LEU  22  -9.236   3.355  -3.743
  169    HB2  LEU  22          2HB       LEU  22  -8.799   2.866  -6.241
  170    HB3  LEU  22          1HB       LEU  22  -7.931   4.369  -6.282
  171    HG   LEU  22           HG       LEU  22  -6.284   3.480  -4.642
  172   HD11  LEU  22          1HD1      LEU  22  -7.740   1.880  -3.461
  173   HD12  LEU  22          2HD1      LEU  22  -6.263   1.112  -4.032
  174   HD13  LEU  22          3HD1      LEU  22  -7.782   0.849  -4.894
  175   HD21  LEU  22          1HD2      LEU  22  -6.674   1.758  -7.116
  176   HD22  LEU  22          2HD2      LEU  22  -5.185   1.893  -6.180
  177   HD23  LEU  22          3HD2      LEU  22  -5.813   3.300  -7.032
  178    H    ASP  23           H        ASP  23  -8.806   4.662  -2.092
  179    HA   ASP  23           HA       ASP  23  -6.850   6.780  -2.450
  180    HB2  ASP  23          2HB       ASP  23  -9.058   7.985  -2.443
  181    HB3  ASP  23          1HB       ASP  23  -9.423   7.273  -0.880
  182    H    SER  24           H        SER  24  -5.759   7.250  -0.429
  183    HA   SER  24           HA       SER  24  -4.864   4.960   0.856
  184    HB2  SER  24          2HB       SER  24  -4.645   7.843   1.794
  185    HB3  SER  24          1HB       SER  24  -3.557   6.518   2.212
  186    HG   SER  24           HG       SER  24  -2.719   6.548   0.236
  187    H    GLN  25           H        GLN  25  -7.200   7.419   1.992
  188    HA   GLN  25           HA       GLN  25  -7.617   6.038   4.530
  189    HB2  GLN  25          2HB       GLN  25  -8.939   8.531   3.403
  190    HB3  GLN  25          1HB       GLN  25  -9.120   7.924   5.050
  191    HG2  GLN  25          2HG       GLN  25  -6.622   8.209   5.340
  192    HG3  GLN  25          1HG       GLN  25  -6.591   9.018   3.772
  193   HE21  GLN  25          1HE2      GLN  25  -5.874  10.068   6.380
  194   HE22  GLN  25          2HE2      GLN  25  -6.884  11.446   6.643
  195    H    THR  26           H        THR  26  -9.042   6.119   1.386
  196    HA   THR  26           HA       THR  26 -11.601   5.029   2.009
  197    HB   THR  26           HB       THR  26  -9.912   4.916  -0.530
  198    HG1  THR  26           HG1      THR  26 -11.241   6.607  -1.181
  199   HG21  THR  26          1HG2      THR  26 -11.525   3.075  -0.588
  200   HG22  THR  26          2HG2      THR  26 -11.995   4.342  -1.727
  201   HG23  THR  26          3HG2      THR  26 -12.833   4.184  -0.175
  202    HA   PRO  27           HA       PRO  27 -10.206   0.873   3.154
  203    HB2  PRO  27          2HB       PRO  27 -12.568  -0.501   2.804
  204    HB3  PRO  27          1HB       PRO  27 -12.278   0.578   4.183
  205    HG2  PRO  27          2HG       PRO  27 -13.764   1.158   1.631
  206    HG3  PRO  27          1HG       PRO  27 -14.226   1.540   3.303
  207    HD2  PRO  27          2HD       PRO  27 -13.130   3.402   1.691
  208    HD3  PRO  27          1HD       PRO  27 -12.772   3.371   3.427
  209    H    LEU  28           H        LEU  28  -8.790   0.012   1.691
  210    HA   LEU  28           HA       LEU  28  -9.392  -0.317  -1.103
  211    HB2  LEU  28          2HB       LEU  28  -7.072  -1.635   0.365
  212    HB3  LEU  28          1HB       LEU  28  -7.160  -1.184  -1.333
  213    HG   LEU  28           HG       LEU  28  -6.795   0.667   1.058
  214   HD11  LEU  28          1HD1      LEU  28  -4.669   1.261   0.017
  215   HD12  LEU  28          2HD1      LEU  28  -4.976   0.130  -1.305
  216   HD13  LEU  28          3HD1      LEU  28  -4.764  -0.468   0.342
  217   HD21  LEU  28          1HD2      LEU  28  -7.244   1.495  -1.822
  218   HD22  LEU  28          2HD2      LEU  28  -6.727   2.566  -0.522
  219   HD23  LEU  28          3HD2      LEU  28  -8.312   1.806  -0.454
  220    H    PHE  29           H        PHE  29  -9.742  -2.191   1.741
  221    HA   PHE  29           HA       PHE  29  -9.865  -4.790   0.524
  222    HB2  PHE  29          2HB       PHE  29  -9.498  -3.752   3.180
  223    HB3  PHE  29          1HB       PHE  29 -10.984  -4.685   3.255
  224    HD1  PHE  29           HD1      PHE  29  -7.600  -4.962   1.726
  225    HD2  PHE  29           HD2      PHE  29 -10.688  -6.939   3.926
  226    HE1  PHE  29           HE1      PHE  29  -6.241  -6.965   1.855
  227    HE2  PHE  29           HE2      PHE  29  -9.302  -8.968   4.048
  228    HZ   PHE  29           HZ       PHE  29  -7.071  -8.992   2.997
  229    H    GLU  30           H        GLU  30 -12.181  -2.650   2.155
  230    HA   GLU  30           HA       GLU  30 -14.457  -4.278   1.923
  231    HB2  GLU  30          2HB       GLU  30 -14.255  -2.449   3.553
  232    HB3  GLU  30          1HB       GLU  30 -14.238  -1.266   2.258
  233    HG2  GLU  30          2HG       GLU  30 -16.407  -1.296   3.375
  234    HG3  GLU  30          1HG       GLU  30 -16.568  -1.820   1.699
  235    H    LEU  31           H        LEU  31 -13.073  -1.893  -0.262
  236    HA   LEU  31           HA       LEU  31 -15.350  -2.131  -2.124
  237    HB2  LEU  31          2HB       LEU  31 -12.920  -0.327  -2.371
  238    HB3  LEU  31          1HB       LEU  31 -14.405  -0.247  -3.307
  239    HG   LEU  31           HG       LEU  31 -14.009   0.508  -0.388
  240   HD11  LEU  31          1HD1      LEU  31 -13.331   2.196  -2.015
  241   HD12  LEU  31          2HD1      LEU  31 -14.732   2.722  -1.084
  242   HD13  LEU  31          3HD1      LEU  31 -14.939   2.164  -2.749
  243   HD21  LEU  31          1HD2      LEU  31 -16.427   1.052  -0.276
  244   HD22  LEU  31          2HD2      LEU  31 -16.147  -0.672  -0.492
  245   HD23  LEU  31          3HD2      LEU  31 -16.670   0.311  -1.863
  246    H    ASN  32           H        ASN  32 -12.095  -3.246  -1.662
  247    HA   ASN  32           HA       ASN  32 -10.804  -4.786  -2.695
  248    HB2  ASN  32          2HB       ASN  32 -13.032  -6.034  -2.610
  249    HB3  ASN  32          1HB       ASN  32 -13.321  -5.532  -4.265
  250   HD21  ASN  32          1HD2      ASN  32 -12.233  -6.595  -5.930
  251   HD22  ASN  32          2HD2      ASN  32 -11.309  -8.031  -5.675
  252    H    ILE  33           H        ILE  33 -10.721  -2.150  -3.736
  253    HA   ILE  33           HA       ILE  33 -11.064  -2.073  -6.599
  254    HB   ILE  33           HB       ILE  33  -9.528  -0.131  -4.826
  255   HG12  ILE  33          2HG1      ILE  33 -11.918  -0.373  -4.140
  256   HG13  ILE  33          1HG1      ILE  33 -11.572   1.230  -4.767
  257   HG21  ILE  33          1HG2      ILE  33  -9.894   1.520  -6.674
  258   HG22  ILE  33          2HG2      ILE  33 -10.594   0.236  -7.661
  259   HG23  ILE  33          3HG2      ILE  33  -8.897   0.154  -7.185
  260   HD11  ILE  33          1HD1      ILE  33 -12.970  -0.986  -6.250
  261   HD12  ILE  33          2HD1      ILE  33 -12.611   0.619  -6.893
  262   HD13  ILE  33          3HD1      ILE  33 -13.714   0.444  -5.531
  263    H    VAL  34           H        VAL  34  -8.182  -2.056  -4.500
  264    HA   VAL  34           HA       VAL  34  -6.376  -2.283  -6.760
  265    HB   VAL  34           HB       VAL  34  -5.752  -0.862  -4.847
  266   HG11  VAL  34          1HG1      VAL  34  -5.511  -3.407  -3.191
  267   HG12  VAL  34          2HG1      VAL  34  -6.747  -2.161  -2.988
  268   HG13  VAL  34          3HG1      VAL  34  -5.053  -1.782  -2.669
  269   HG21  VAL  34          1HG2      VAL  34  -3.948  -1.742  -6.247
  270   HG22  VAL  34          2HG2      VAL  34  -3.821  -3.177  -5.230
  271   HG23  VAL  34          3HG2      VAL  34  -3.401  -1.593  -4.574
  272    H    ASP  35           H        ASP  35  -5.256  -4.108  -7.386
  273    HA   ASP  35           HA       ASP  35  -6.213  -6.697  -6.482
  274    HB2  ASP  35          2HB       ASP  35  -5.888  -6.292  -8.879
  275    HB3  ASP  35          1HB       ASP  35  -4.193  -5.932  -8.628
  276    H    SER  36           H        SER  36  -4.626  -8.442  -6.102
  277    HA   SER  36           HA       SER  36  -3.082  -7.700  -3.795
  278    HB2  SER  36          2HB       SER  36  -3.230  -9.896  -3.142
  279    HB3  SER  36          1HB       SER  36  -4.589  -9.878  -4.266
  280    H    ALA  37           H        ALA  37  -2.364  -8.372  -7.133
  281    HA   ALA  37           HA       ALA  37   0.484  -8.817  -6.802
  282    HB1  ALA  37          1HB       ALA  37   0.623  -8.607  -9.258
  283    HB2  ALA  37          2HB       ALA  37  -1.056  -8.059  -9.324
  284    HB3  ALA  37          3HB       ALA  37  -0.683  -9.699  -8.792
  285    H    ALA  38           H        ALA  38  -1.619  -6.036  -7.096
  286    HA   ALA  38           HA       ALA  38   0.429  -4.085  -7.702
  287    HB1  ALA  38          1HB       ALA  38  -2.385  -3.689  -6.654
  288    HB2  ALA  38          2HB       ALA  38  -1.920  -3.711  -8.349
  289    HB3  ALA  38          3HB       ALA  38  -1.339  -2.421  -7.297
  290    H    ILE  39           H        ILE  39  -0.740  -5.655  -4.837
  291    HA   ILE  39           HA       ILE  39   0.062  -3.930  -2.786
  292    HB   ILE  39           HB       ILE  39   0.239  -6.980  -2.893
  293   HG12  ILE  39          2HG1      ILE  39  -2.054  -6.161  -3.212
  294   HG13  ILE  39          1HG1      ILE  39  -1.914  -6.954  -1.649
  295   HG21  ILE  39          1HG2      ILE  39   0.447  -5.190  -0.442
  296   HG22  ILE  39          2HG2      ILE  39   1.718  -6.219  -1.107
  297   HG23  ILE  39          3HG2      ILE  39   0.276  -6.947  -0.394
  298   HD11  ILE  39          1HD1      ILE  39  -3.295  -4.958  -1.577
  299   HD12  ILE  39          2HD1      ILE  39  -1.928  -3.972  -2.097
  300   HD13  ILE  39          3HD1      ILE  39  -1.879  -4.810  -0.540
  301    H    PHE  40           H        PHE  40   1.918  -6.248  -4.737
  302    HA   PHE  40           HA       PHE  40   4.423  -6.000  -3.422
  303    HB2  PHE  40          2HB       PHE  40   3.676  -7.912  -4.915
  304    HB3  PHE  40          1HB       PHE  40   3.889  -6.861  -6.306
  305    HD1  PHE  40           HD1      PHE  40   5.679  -8.607  -3.539
  306    HD2  PHE  40           HD2      PHE  40   6.111  -6.501  -7.252
  307    HE1  PHE  40           HE1      PHE  40   8.040  -9.292  -3.664
  308    HE2  PHE  40           HE2      PHE  40   8.470  -7.194  -7.360
  309    HZ   PHE  40           HZ       PHE  40   9.435  -8.591  -5.571
  310    H    ASP  41           H        ASP  41   2.819  -3.999  -5.793
  311    HA   ASP  41           HA       ASP  41   5.154  -2.468  -6.568
  312    HB2  ASP  41          2HB       ASP  41   3.259  -2.659  -8.125
  313    HB3  ASP  41          1HB       ASP  41   2.176  -1.931  -6.946
  314    H    LEU  42           H        LEU  42   2.332  -1.968  -4.433
  315    HA   LEU  42           HA       LEU  42   3.008   0.552  -3.364
  316    HB2  LEU  42          2HB       LEU  42   1.403  -1.719  -2.131
  317    HB3  LEU  42          1HB       LEU  42   1.434  -0.080  -1.501
  318    HG   LEU  42           HG       LEU  42   0.340  -0.900  -4.225
  319   HD11  LEU  42          1HD1      LEU  42  -1.086  -1.710  -2.409
  320   HD12  LEU  42          2HD1      LEU  42  -1.879  -0.432  -3.324
  321   HD13  LEU  42          3HD1      LEU  42  -1.189  -0.077  -1.737
  322   HD21  LEU  42          1HD2      LEU  42   1.241   1.366  -4.323
  323   HD22  LEU  42          2HD2      LEU  42   0.324   1.832  -2.889
  324   HD23  LEU  42          3HD2      LEU  42  -0.520   1.413  -4.381
  325    H    VAL  43           H        VAL  43   4.105  -2.658  -2.613
  326    HA   VAL  43           HA       VAL  43   5.496  -2.336  -0.203
  327    HB   VAL  43           HB       VAL  43   5.869  -4.120  -2.636
  328   HG11  VAL  43          1HG1      VAL  43   7.593  -4.328  -0.158
  329   HG12  VAL  43          2HG1      VAL  43   8.157  -3.841  -1.751
  330   HG13  VAL  43          3HG1      VAL  43   7.562  -5.481  -1.487
  331   HG21  VAL  43          1HG2      VAL  43   3.950  -4.506  -1.122
  332   HG22  VAL  43          2HG2      VAL  43   5.069  -4.785   0.211
  333   HG23  VAL  43          3HG2      VAL  43   5.054  -5.876  -1.176
  334    H    ASP  44           H        ASP  44   6.666  -2.006  -3.575
  335    HA   ASP  44           HA       ASP  44   9.297  -1.223  -3.118
  336    HB2  ASP  44          2HB       ASP  44   8.353  -1.760  -5.363
  337    HB3  ASP  44          1HB       ASP  44   7.450  -0.264  -5.344
  338    H    PHE  45           H        PHE  45   6.328   0.640  -3.223
  339    HA   PHE  45           HA       PHE  45   7.458   3.187  -3.112
  340    HB2  PHE  45          2HB       PHE  45   5.146   2.855  -3.857
  341    HB3  PHE  45          1HB       PHE  45   4.690   2.219  -2.280
  342    HD1  PHE  45           HD1      PHE  45   5.621   5.286  -4.144
  343    HD2  PHE  45           HD2      PHE  45   4.259   3.726  -0.388
  344    HE1  PHE  45           HE1      PHE  45   5.127   7.555  -3.353
  345    HE2  PHE  45           HE2      PHE  45   3.781   5.994   0.369
  346    HZ   PHE  45           HZ       PHE  45   4.213   7.903  -1.100
  347    H    LEU  46           H        LEU  46   5.949   1.214  -0.484
  348    HA   LEU  46           HA       LEU  46   6.327   3.075   1.594
  349    HB2  LEU  46          2HB       LEU  46   6.004   0.056   1.762
  350    HB3  LEU  46          1HB       LEU  46   5.960   1.119   3.162
  351    HG   LEU  46           HG       LEU  46   3.943   1.007   0.883
  352   HD11  LEU  46          1HD1      LEU  46   3.725  -0.797   2.515
  353   HD12  LEU  46          2HD1      LEU  46   2.363   0.315   2.608
  354   HD13  LEU  46          3HD1      LEU  46   3.633   0.378   3.835
  355   HD21  LEU  46          1HD2      LEU  46   3.971   2.953   3.228
  356   HD22  LEU  46          2HD2      LEU  46   2.657   2.753   2.066
  357   HD23  LEU  46          3HD2      LEU  46   4.217   3.363   1.528
  358    H    ARG  47           H        ARG  47   8.406   0.401   0.528
  359    HA   ARG  47           HA       ARG  47  10.276   0.602   2.685
  360    HB2  ARG  47          2HB       ARG  47  11.624  -1.006   1.477
  361    HB3  ARG  47          1HB       ARG  47   9.936  -1.482   1.333
  362    HG2  ARG  47          2HG       ARG  47   9.885  -0.482  -0.944
  363    HG3  ARG  47          1HG       ARG  47  11.601  -0.112  -0.802
  364    HD2  ARG  47          2HD       ARG  47  12.073  -2.535  -0.571
  365    HD3  ARG  47          1HD       ARG  47  10.346  -2.877  -0.751
  366    HE   ARG  47           HE       ARG  47  11.380  -1.325  -2.927
  367   HH11  ARG  47          1HH1      ARG  47  11.143  -4.621  -1.745
  368   HH12  ARG  47          2HH1      ARG  47  11.287  -5.319  -3.321
  369   HH21  ARG  47          1HH2      ARG  47  11.555  -2.261  -4.988
  370   HH22  ARG  47          2HH2      ARG  47  11.521  -3.986  -5.155
  371    H    GLN  48           H        GLN  48   9.979   2.106  -0.486
  372    HA   GLN  48           HA       GLN  48  12.520   3.342  -0.701
  373    HB2  GLN  48          2HB       GLN  48  10.964   3.165  -2.624
  374    HB3  GLN  48          1HB       GLN  48   9.809   4.205  -1.802
  375    HG2  GLN  48          2HG       GLN  48  11.611   6.032  -1.861
  376    HG3  GLN  48          1HG       GLN  48  12.496   4.983  -2.963
  377   HE21  GLN  48          1HE2      GLN  48   8.967   5.394  -2.906
  378   HE22  GLN  48          2HE2      GLN  48   8.863   6.146  -4.457
  379    H    GLU  49           H        GLU  49   9.393   4.439   0.582
  380    HA   GLU  49           HA       GLU  49  10.129   7.128   1.144
  381    HB2  GLU  49          2HB       GLU  49   7.808   5.437   2.175
  382    HB3  GLU  49          1HB       GLU  49   7.935   7.184   2.379
  383    HG2  GLU  49          2HG       GLU  49   7.784   5.748  -0.289
  384    HG3  GLU  49          1HG       GLU  49   6.430   6.527   0.521
  385    H    SER  50           H        SER  50   9.580   4.314   3.253
  386    HA   SER  50           HA       SER  50  10.447   5.632   5.659
  387    HB2  SER  50          2HB       SER  50   8.739   3.747   5.541
  388    HB3  SER  50          1HB       SER  50  10.068   2.641   5.201
  389    HG   SER  50           HG       SER  50  10.942   3.635   7.290
  390    H    LYS  51           H        LYS  51  12.155   4.373   3.037
  391    HA   LYS  51           HA       LYS  51  14.306   3.951   2.539
  392    HB2  LYS  51          2HB       LYS  51  14.885   5.235   5.250
  393    HB3  LYS  51          1HB       LYS  51  16.085   4.955   3.994
  394    HG2  LYS  51          2HG       LYS  51  13.676   6.795   3.755
  395    HG3  LYS  51          1HG       LYS  51  15.327   7.314   4.068
  396    HD2  LYS  51          2HD       LYS  51  14.544   5.792   1.552
  397    HD3  LYS  51          1HD       LYS  51  14.465   7.546   1.657
  398    HE2  LYS  51          2HE       LYS  51  16.526   6.909   0.558
  399    HE3  LYS  51          1HE       LYS  51  16.912   7.605   2.126
  400    HZ1  LYS  51          1HZ       LYS  51  16.793   4.697   1.576
  401    HZ2  LYS  51          2HZ       LYS  51  17.354   5.439   2.982
  402    HZ3  LYS  51          3HZ       LYS  51  18.209   5.615   1.539
  403    H    VAL  52           H        VAL  52  12.701   1.956   3.899
  404    HA   VAL  52           HA       VAL  52  14.689   0.311   5.350
  405    HB   VAL  52           HB       VAL  52  12.777  -0.837   6.391
  406   HG11  VAL  52          1HG1      VAL  52  12.595   2.172   6.714
  407   HG12  VAL  52          2HG1      VAL  52  13.671   1.085   7.592
  408   HG13  VAL  52          3HG1      VAL  52  11.930   0.989   7.841
  409   HG21  VAL  52          1HG2      VAL  52  11.087  -0.660   4.606
  410   HG22  VAL  52          2HG2      VAL  52  10.961   1.079   4.872
  411   HG23  VAL  52          3HG2      VAL  52  10.429  -0.045   6.124
  412    H    SER  53           H        SER  53  14.233  -2.059   5.106
  413    HA   SER  53           HA       SER  53  13.225  -2.869   2.438
  414    HB2  SER  53          2HB       SER  53  14.970  -4.427   4.421
  415    HB3  SER  53          1HB       SER  53  14.477  -4.978   2.817
  416    HG   SER  53           HG       SER  53  15.908  -2.567   3.200
  417    H    ILE  54           H        ILE  54  11.680  -4.530   2.353
  418    HA   ILE  54           HA       ILE  54  10.351  -5.384   4.849
  419    HB   ILE  54           HB       ILE  54   8.871  -3.700   3.979
  420   HG12  ILE  54          2HG1      ILE  54   7.786  -6.416   3.093
  421   HG13  ILE  54          1HG1      ILE  54   7.707  -5.768   4.723
  422   HG21  ILE  54          1HG2      ILE  54   9.810  -3.508   1.711
  423   HG22  ILE  54          2HG2      ILE  54   8.049  -3.608   1.678
  424   HG23  ILE  54          3HG2      ILE  54   9.017  -5.023   1.260
  425   HD11  ILE  54          1HD1      ILE  54   5.581  -5.603   3.643
  426   HD12  ILE  54          2HD1      ILE  54   6.277  -4.709   2.294
  427   HD13  ILE  54          3HD1      ILE  54   6.223  -3.981   3.903
  428    H    GLY  55           H        GLY  55   9.699  -7.525   4.874
  429    HA2  GLY  55          2HA       GLY  55  10.838  -9.302   2.865
  430    HA3  GLY  55          1HA       GLY  55  10.093  -9.773   4.380
  431    H    MET  56           H        MET  56   9.726 -10.915   1.783
  432    HA   MET  56           HA       MET  56   7.299 -10.444   0.542
  433    HB2  MET  56          2HB       MET  56   8.835 -12.015  -0.380
  434    HB3  MET  56          1HB       MET  56   8.924 -12.926   1.117
  435    HG2  MET  56          2HG       MET  56   7.671 -14.351  -0.112
  436    HG3  MET  56          1HG       MET  56   6.383 -13.404   0.602
  437    HE1  MET  56          1HE       MET  56   5.936 -10.793  -1.192
  438    HE2  MET  56          2HE       MET  56   4.656 -11.947  -0.822
  439    HE3  MET  56          3HE       MET  56   4.929 -11.438  -2.495
  440    H    GLN  57           H        GLN  57   7.988 -11.903   3.610
  441    HA   GLN  57           HA       GLN  57   5.561 -13.234   4.176
  442    HB2  GLN  57          2HB       GLN  57   7.627 -12.082   6.115
  443    HB3  GLN  57          1HB       GLN  57   6.398 -13.269   6.524
  444    HG2  GLN  57          2HG       GLN  57   8.408 -14.503   6.334
  445    HG3  GLN  57          1HG       GLN  57   7.542 -14.834   4.837
  446   HE21  GLN  57          1HE2      GLN  57  10.268 -13.087   6.243
  447   HE22  GLN  57          2HE2      GLN  57  11.134 -12.862   4.766
  448    H    GLU  58           H        GLU  58   6.700  -9.923   4.698
  449    HA   GLU  58           HA       GLU  58   4.423  -9.103   6.321
  450    HB2  GLU  58          2HB       GLU  58   6.726  -7.496   5.150
  451    HB3  GLU  58          1HB       GLU  58   5.583  -6.916   6.353
  452    HG2  GLU  58          2HG       GLU  58   7.539  -9.193   6.768
  453    HG3  GLU  58          1HG       GLU  58   7.785  -7.530   7.305
  454    H    ILE  59           H        ILE  59   5.445  -9.077   2.987
  455    HA   ILE  59           HA       ILE  59   3.621  -7.176   1.923
  456    HB   ILE  59           HB       ILE  59   4.796  -9.639   0.564
  457   HG12  ILE  59          2HG1      ILE  59   5.837  -6.775   0.653
  458   HG13  ILE  59          1HG1      ILE  59   6.572  -8.169   1.424
  459   HG21  ILE  59          1HG2      ILE  59   4.361  -8.432  -1.581
  460   HG22  ILE  59          2HG2      ILE  59   3.502  -7.179  -0.679
  461   HG23  ILE  59          3HG2      ILE  59   2.884  -8.828  -0.707
  462   HD11  ILE  59          1HD1      ILE  59   6.325  -7.688  -1.538
  463   HD12  ILE  59          2HD1      ILE  59   7.018  -9.135  -0.796
  464   HD13  ILE  59          3HD1      ILE  59   7.787  -7.566  -0.558
  465    H    HIS  60           H        HIS  60   1.610  -7.458   2.812
  466    HA   HIS  60           HA       HIS  60  -0.004  -9.739   1.919
  467    HB2  HIS  60          2HB       HIS  60   0.750  -9.184   4.729
  468    HB3  HIS  60          1HB       HIS  60  -0.998  -9.160   4.536
  469    HD1  HIS  60           HD1      HIS  60   1.945 -11.468   4.462
  470    HD2  HIS  60           HD2      HIS  60  -2.177 -11.586   3.868
  471    HE1  HIS  60           HE1      HIS  60   1.343 -13.905   4.435
  472    HE2  HIS  60           HE2      HIS  60  -1.124 -13.963   3.906
  473    HA   PRO  61           HA       PRO  61  -2.709  -6.331   0.878
  474    HB2  PRO  61          2HB       PRO  61  -5.064  -7.658   0.410
  475    HB3  PRO  61          1HB       PRO  61  -3.682  -7.781  -0.703
  476    HG2  PRO  61          2HG       PRO  61  -4.543  -9.708   1.436
  477    HG3  PRO  61          1HG       PRO  61  -4.034 -10.041  -0.235
  478    HD2  PRO  61          2HD       PRO  61  -2.335 -10.325   1.889
  479    HD3  PRO  61          1HD       PRO  61  -1.765  -9.844   0.277
  480    H    ALA  62           H        ALA  62  -3.484  -8.649   3.416
  481    HA   ALA  62           HA       ALA  62  -5.524  -7.321   4.783
  482    HB1  ALA  62          1HB       ALA  62  -4.927  -9.652   5.245
  483    HB2  ALA  62          2HB       ALA  62  -4.883  -8.696   6.729
  484    HB3  ALA  62          3HB       ALA  62  -3.379  -9.135   5.914
  485    H    ASN  63           H        ASN  63  -2.038  -6.985   4.843
  486    HA   ASN  63           HA       ASN  63  -1.963  -5.052   7.007
  487    HB2  ASN  63          2HB       ASN  63   0.223  -6.057   5.114
  488    HB3  ASN  63          1HB       ASN  63   0.498  -4.998   6.496
  489   HD21  ASN  63          1HD2      ASN  63   1.848  -6.469   7.562
  490   HD22  ASN  63          2HD2      ASN  63   1.269  -7.938   8.254
  491    H    PHE  64           H        PHE  64  -2.057  -5.030   3.506
  492    HA   PHE  64           HA       PHE  64  -1.626  -2.113   3.359
  493    HB2  PHE  64          2HB       PHE  64  -1.792  -4.312   1.250
  494    HB3  PHE  64          1HB       PHE  64  -1.833  -2.606   0.820
  495    HD1  PHE  64           HD1      PHE  64   0.273  -5.083   2.683
  496    HD2  PHE  64           HD2      PHE  64   0.193  -1.520   0.339
  497    HE1  PHE  64           HE1      PHE  64   2.710  -5.130   2.548
  498    HE2  PHE  64           HE2      PHE  64   2.643  -1.560   0.232
  499    HZ   PHE  64           HZ       PHE  64   3.903  -3.365   1.323
  500    H    ALA  65           H        ALA  65  -4.084  -3.564   4.483
  501    HA   ALA  65           HA       ALA  65  -6.318  -3.434   2.796
  502    HB1  ALA  65          1HB       ALA  65  -6.280  -4.623   4.949
  503    HB2  ALA  65          2HB       ALA  65  -7.648  -3.512   4.865
  504    HB3  ALA  65          3HB       ALA  65  -6.220  -3.087   5.816
  505    H    THR  66           H        THR  66  -4.804  -0.980   4.837
  506    HA   THR  66           HA       THR  66  -6.187   1.234   3.509
  507    HB   THR  66           HB       THR  66  -6.518   2.411   5.766
  508    HG1  THR  66           HG1      THR  66  -6.829   0.463   7.434
  509   HG21  THR  66          1HG2      THR  66  -8.223  -0.077   5.370
  510   HG22  THR  66          2HG2      THR  66  -8.491   1.492   4.607
  511   HG23  THR  66          3HG2      THR  66  -8.651   1.320   6.356
  512    H    VAL  67           H        VAL  67  -5.118   3.384   4.298
  513    HA   VAL  67           HA       VAL  67  -2.288   3.281   4.083
  514    HB   VAL  67           HB       VAL  67  -3.601   5.297   3.460
  515   HG11  VAL  67          1HG1      VAL  67  -4.333   6.961   5.148
  516   HG12  VAL  67          2HG1      VAL  67  -3.943   5.818   6.436
  517   HG13  VAL  67          3HG1      VAL  67  -5.223   5.442   5.282
  518   HG21  VAL  67          1HG2      VAL  67  -1.407   5.878   5.481
  519   HG22  VAL  67          2HG2      VAL  67  -1.992   7.003   4.252
  520   HG23  VAL  67          3HG2      VAL  67  -1.179   5.514   3.768
  521    H    GLN  68           H        GLN  68  -4.446   3.581   6.870
  522    HA   GLN  68           HA       GLN  68  -2.488   4.089   8.847
  523    HB2  GLN  68          2HB       GLN  68  -4.873   4.614   9.179
  524    HB3  GLN  68          1HB       GLN  68  -5.291   2.912   9.066
  525    HG2  GLN  68          2HG       GLN  68  -5.352   3.698  11.388
  526    HG3  GLN  68          1HG       GLN  68  -4.108   2.463  11.178
  527   HE21  GLN  68          1HE2      GLN  68  -1.927   3.043  11.448
  528   HE22  GLN  68          2HE2      GLN  68  -1.442   4.568  12.101
  529    H    SER  69           H        SER  69  -3.968   1.112   7.601
  530    HA   SER  69           HA       SER  69  -2.743  -0.673   9.436
  531    HB2  SER  69          2HB       SER  69  -4.799  -1.213   8.095
  532    HB3  SER  69          1HB       SER  69  -3.797  -1.304   6.646
  533    HG   SER  69           HG       SER  69  -2.616  -2.994   7.723
  534    H    MET  70           H        MET  70  -1.726   0.636   6.262
  535    HA   MET  70           HA       MET  70   0.392  -1.328   5.931
  536    HB2  MET  70          2HB       MET  70   0.822  -0.381   3.778
  537    HB3  MET  70          1HB       MET  70  -0.924  -0.382   3.980
  538    HG2  MET  70          2HG       MET  70  -0.881   2.022   4.458
  539    HG3  MET  70          1HG       MET  70   0.875   2.034   4.308
  540    HE1  MET  70          1HE       MET  70  -2.531   1.445   2.408
  541    HE2  MET  70          2HE       MET  70  -1.650  -0.031   2.013
  542    HE3  MET  70          3HE       MET  70  -1.976   1.166   0.757
  543    H    VAL  71           H        VAL  71   0.175   2.073   6.927
  544    HA   VAL  71           HA       VAL  71   2.969   2.544   7.254
  545    HB   VAL  71           HB       VAL  71   0.589   3.797   8.714
  546   HG11  VAL  71          1HG1      VAL  71   3.500   4.716   8.775
  547   HG12  VAL  71          2HG1      VAL  71   2.598   4.052  10.137
  548   HG13  VAL  71          3HG1      VAL  71   2.137   5.610   9.453
  549   HG21  VAL  71          1HG2      VAL  71   0.639   4.250   6.287
  550   HG22  VAL  71          2HG2      VAL  71   2.283   4.870   6.426
  551   HG23  VAL  71          3HG2      VAL  71   0.952   5.724   7.207
  552    H    ALA  72           H        ALA  72   0.420   1.296   9.395
  553    HA   ALA  72           HA       ALA  72   1.978   0.997  11.726
  554    HB1  ALA  72          1HB       ALA  72  -0.466   1.061  11.818
  555    HB2  ALA  72          2HB       ALA  72   0.131  -0.428  12.553
  556    HB3  ALA  72          3HB       ALA  72  -0.561  -0.461  10.928
  557    H    LEU  73           H        LEU  73   1.378  -1.100   8.976
  558    HA   LEU  73           HA       LEU  73   2.435  -3.558   9.822
  559    HB2  LEU  73          2HB       LEU  73   1.465  -3.935   7.772
  560    HB3  LEU  73          1HB       LEU  73   1.632  -2.259   7.304
  561    HG   LEU  73           HG       LEU  73   4.101  -2.866   6.716
  562   HD11  LEU  73          1HD1      LEU  73   2.966  -5.673   6.736
  563   HD12  LEU  73          2HD1      LEU  73   4.243  -5.038   7.776
  564   HD13  LEU  73          3HD1      LEU  73   4.518  -5.188   6.044
  565   HD21  LEU  73          1HD2      LEU  73   1.825  -3.910   5.015
  566   HD22  LEU  73          2HD2      LEU  73   3.458  -3.538   4.453
  567   HD23  LEU  73          3HD2      LEU  73   2.428  -2.250   5.072
  568    H    VAL  74           H        VAL  74   3.952  -0.742   8.258
  569    HA   VAL  74           HA       VAL  74   6.591  -1.701   8.125
  570    HB   VAL  74           HB       VAL  74   5.682   1.205   8.425
  571   HG11  VAL  74          1HG1      VAL  74   7.891   1.821   7.438
  572   HG12  VAL  74          2HG1      VAL  74   8.374   0.124   7.474
  573   HG13  VAL  74          3HG1      VAL  74   8.075   0.985   8.983
  574   HG21  VAL  74          1HG2      VAL  74   4.690   0.133   6.431
  575   HG22  VAL  74          2HG2      VAL  74   6.286  -0.379   5.885
  576   HG23  VAL  74          3HG2      VAL  74   5.885   1.339   5.947
  577    H    GLN  75           H        GLN  75   4.916   0.233  10.632
  578    HA   GLN  75           HA       GLN  75   7.006   0.566  12.471
  579    HB2  GLN  75          2HB       GLN  75   4.035   0.242  13.092
  580    HB3  GLN  75          1HB       GLN  75   5.233   0.981  14.150
  581    HG2  GLN  75          2HG       GLN  75   5.563   2.803  12.501
  582    HG3  GLN  75          1HG       GLN  75   4.366   2.057  11.444
  583   HE21  GLN  75          1HE2      GLN  75   4.339   4.723  12.617
  584   HE22  GLN  75          2HE2      GLN  75   2.892   4.833  13.559
  585    H    ARG  76           H        ARG  76   5.050  -2.296  11.853
  586    HA   ARG  76           HA       ARG  76   5.682  -3.723  14.275
  587    HB2  ARG  76          2HB       ARG  76   4.706  -4.788  11.589
  588    HB3  ARG  76          1HB       ARG  76   4.766  -5.711  13.085
  589    HG2  ARG  76          2HG       ARG  76   3.028  -3.281  12.572
  590    HG3  ARG  76          1HG       ARG  76   2.489  -4.957  12.570
  591    HD2  ARG  76          2HD       ARG  76   3.051  -5.145  14.964
  592    HD3  ARG  76          1HD       ARG  76   3.610  -3.467  14.970
  593    HE   ARG  76           HE       ARG  76   1.238  -2.922  14.250
  594   HH11  ARG  76          1HH1      ARG  76   1.913  -5.662  16.345
  595   HH12  ARG  76          2HH1      ARG  76   0.349  -5.618  17.091
  596   HH21  ARG  76          1HH2      ARG  76  -0.797  -2.872  15.274
  597   HH22  ARG  76          2HH2      ARG  76  -1.174  -4.051  16.494
  598    H    LEU  77           H        LEU  77   6.814  -3.983  10.862
  599    HA   LEU  77           HA       LEU  77   8.763  -5.992  11.402
  600    HB2  LEU  77          2HB       LEU  77   9.571  -5.586   9.065
  601    HB3  LEU  77          1HB       LEU  77   7.861  -5.931   9.208
  602    HG   LEU  77           HG       LEU  77   7.530  -3.346   9.056
  603   HD11  LEU  77          1HD1      LEU  77   9.209  -2.121   7.711
  604   HD12  LEU  77          2HD1      LEU  77  10.334  -3.468   7.910
  605   HD13  LEU  77          3HD1      LEU  77   9.783  -2.554   9.322
  606   HD21  LEU  77          1HD2      LEU  77   6.766  -4.882   7.351
  607   HD22  LEU  77          2HD2      LEU  77   8.369  -4.914   6.609
  608   HD23  LEU  77          3HD2      LEU  77   7.422  -3.423   6.613
  609    H    LYS  78           H        LYS  78   8.866  -2.546  11.622
  610    HA   LYS  78           HA       LYS  78  11.655  -2.054  11.721
  611    HB2  LYS  78          2HB       LYS  78   9.328  -0.680  13.127
  612    HB3  LYS  78          1HB       LYS  78  10.960  -0.028  13.078
  613    HG2  LYS  78          2HG       LYS  78   9.239  -0.539  10.637
  614    HG3  LYS  78          1HG       LYS  78   9.351   1.014  11.447
  615    HD2  LYS  78          2HD       LYS  78  11.899  -0.286  10.501
  616    HD3  LYS  78          1HD       LYS  78  10.829   0.413   9.285
  617    HE2  LYS  78          2HE       LYS  78  12.556   2.014   9.976
  618    HE3  LYS  78          1HE       LYS  78  10.954   2.598  10.412
  619    HZ1  LYS  78          1HZ       LYS  78  11.350   1.962  12.674
  620    HZ2  LYS  78          2HZ       LYS  78  12.623   2.937  12.142
  621    HZ3  LYS  78          3HZ       LYS  78  12.840   1.269  12.273
  622    H    ALA  79           H        ALA  79   9.271  -2.949  14.200
  623    HA   ALA  79           HA       ALA  79  11.059  -2.843  16.436
  624    HB1  ALA  79          1HB       ALA  79   8.628  -2.468  16.691
  625    HB2  ALA  79          2HB       ALA  79   9.173  -3.802  17.707
  626    HB3  ALA  79          3HB       ALA  79   8.311  -4.136  16.202
  627    H    HIS  80           H        HIS  80  10.376  -5.186  14.010
  628    HA   HIS  80           HA       HIS  80  11.124  -7.565  15.476
  629    HB2  HIS  80          2HB       HIS  80  10.735  -7.111  12.486
  630    HB3  HIS  80          1HB       HIS  80  10.964  -8.683  13.249
  631    HD1  HIS  80           HD1      HIS  80   8.449  -7.952  11.567
  632    HD2  HIS  80           HD2      HIS  80   8.660  -7.770  15.696
  633    HE1  HIS  80           HE1      HIS  80   6.093  -8.218  12.356
  634    HE2  HIS  80           HE2      HIS  80   6.272  -8.267  14.869
  635    HA   PRO  81           HA       PRO  81  15.569  -7.318  14.783
  636    HB2  PRO  81          2HB       PRO  81  16.241 -10.011  14.805
  637    HB3  PRO  81          1HB       PRO  81  15.856  -9.084  16.270
  638    HG2  PRO  81          2HG       PRO  81  14.089 -10.934  14.700
  639    HG3  PRO  81          1HG       PRO  81  14.257 -10.767  16.462
  640    HD2  PRO  81          2HD       PRO  81  12.185  -9.647  15.105
  641    HD3  PRO  81          1HD       PRO  81  12.877  -8.891  16.556
  642    H    GLU  82           H        GLU  82  14.453 -10.211  12.893
  643    HA   GLU  82           HA       GLU  82  15.539  -9.003  10.413
  644    HB2  GLU  82          2HB       GLU  82  16.012 -11.853  11.398
  645    HB3  GLU  82          1HB       GLU  82  16.360 -11.308   9.758
  646    HG2  GLU  82          2HG       GLU  82  17.989  -9.667  10.660
  647    HG3  GLU  82          1HG       GLU  82  17.679 -10.270  12.290
  648    H    GLN  83           H        GLN  83  14.181  -9.081   8.761
  649    HA   GLN  83           HA       GLN  83  11.795 -10.850   8.790
  650    HB2  GLN  83          2HB       GLN  83  12.223  -8.194   7.333
  651    HB3  GLN  83          1HB       GLN  83  10.742  -9.148   7.323
  652    HG2  GLN  83          2HG       GLN  83  11.975  -7.772   9.729
  653    HG3  GLN  83          1HG       GLN  83  10.524  -7.269   8.864
  654   HE21  GLN  83          1HE2      GLN  83   8.628  -8.440   9.155
  655   HE22  GLN  83          2HE2      GLN  83   8.406  -9.578  10.434
  656    H    GLY  84           H        GLY  84  14.484 -11.606   7.907
  657    HA2  GLY  84          2HA       GLY  84  14.834 -11.489   5.115
  658    HA3  GLY  84          1HA       GLY  84  15.606 -12.627   6.203
  659    H    GLY  85           H        GLY  85  14.091 -14.425   7.003
  660    HA2  GLY  85          2HA       GLY  85  13.048 -16.391   6.478
  661    HA3  GLY  85          1HA       GLY  85  11.912 -15.409   5.562
  662    H    ALA  86           H        ALA  86  11.676 -16.486   3.662
  663    HA   ALA  86           HA       ALA  86  12.035 -17.027   1.506
  664    HB1  ALA  86          1HB       ALA  86  14.651 -15.522   1.819
  665    HB2  ALA  86          2HB       ALA  86  13.092 -14.798   1.429
  666    HB3  ALA  86          3HB       ALA  86  13.855 -15.907   0.289
  667    H    ALA  87           H        ALA  87  13.456 -18.676   3.811
  668    HA   ALA  87           HA       ALA  87  15.537 -20.113   2.354
  669    HB1  ALA  87          1HB       ALA  87  15.772 -21.421   4.442
  670    HB2  ALA  87          2HB       ALA  87  14.354 -20.610   5.116
  671    HB3  ALA  87          3HB       ALA  87  15.817 -19.688   4.767
  672    H    LEU  88           H        LEU  88  15.428 -22.430   1.978
  673    HA   LEU  88           HA       LEU  88  12.955 -23.423   0.938
  674    HB2  LEU  88          2HB       LEU  88  15.394 -23.986   0.210
  675    HB3  LEU  88          1HB       LEU  88  15.418 -25.113   1.550
  676    HG   LEU  88           HG       LEU  88  13.453 -25.261  -0.784
  677   HD11  LEU  88          1HD1      LEU  88  14.788 -27.108  -1.655
  678   HD12  LEU  88          2HD1      LEU  88  15.980 -26.879  -0.374
  679   HD13  LEU  88          3HD1      LEU  88  15.729 -25.620  -1.585
  680   HD21  LEU  88          1HD2      LEU  88  12.969 -27.564  -0.021
  681   HD22  LEU  88          2HD2      LEU  88  12.550 -26.377   1.211
  682   HD23  LEU  88          3HD2      LEU  88  14.025 -27.332   1.376
  683    H    GLU  89           H        GLU  89  11.383 -23.725   2.393
  684    HA   GLU  89           HA       GLU  89  11.906 -25.008   5.000
  685    HB2  GLU  89          2HB       GLU  89  10.750 -22.773   4.908
  686    HB3  GLU  89          1HB       GLU  89   9.434 -23.520   4.011
  687    HG2  GLU  89          2HG       GLU  89   8.893 -24.943   5.940
  688    HG3  GLU  89          1HG       GLU  89  10.255 -24.272   6.843
  689   H282  PNS 101          3H28      PNS 136  -1.482 -11.453  -1.740
  690   H281  PNS 101          2H28      PNS 136  -1.202 -10.133  -2.870
  691   H303  PNS 101          3H51      PNS 136  -0.043 -10.190  -0.136
  692   H302  PNS 101          2H51      PNS 136   1.604  -9.768  -0.574
  693   H301  PNS 101          1H51      PNS 136   0.260  -8.940  -1.360
  694   H313  PNS 101          3H52      PNS 136   1.475 -11.258  -3.995
  695   H312  PNS 101          2H52      PNS 136   2.519 -10.425  -2.845
  696   H311  PNS 101          1H52      PNS 136   1.161  -9.566  -3.591
  697    H32  PNS 101           H32      PNS 136   2.122 -12.082  -1.008
  698    H33  PNS 101           H33      PNS 136  -0.582 -12.951  -0.766
  699    H36  PNS 101           H36      PNS 136   3.218 -12.936  -2.773
  700   H372  PNS 101          3H37      PNS 136   2.612 -15.581  -3.616
  701   H371  PNS 101          2H37      PNS 136   2.312 -14.435  -4.923
  702   H382  PNS 101          3H38      PNS 136   4.949 -14.821  -3.468
  703   H381  PNS 101          2H38      PNS 136   4.572 -15.396  -5.090
  704    H41  PNS 101           H41      PNS 136   3.231 -13.045  -6.043
  705   H422  PNS 101          3H42      PNS 136   5.019 -11.588  -7.371
  706   H421  PNS 101          2H42      PNS 136   5.027 -10.763  -5.811
  707   H431  PNS 101          2H43      PNS 136   2.585 -10.419  -6.004
  708   H432  PNS 101          3H43      PNS 136   3.453  -9.684  -7.368
  709    H44  PNS 101           H44      PNS 136   1.094 -10.943  -8.324
  Start of MODEL    4
    1    H1   MET   1          1H        MET   1   1.132  16.169   0.526
    2    H2   MET   1          2H        MET   1   0.791  17.355  -0.624
    3    H3   MET   1          3H        MET   1   2.387  17.062  -0.168
    4    HA   MET   1           HA       MET   1   0.629  15.141  -1.535
    5    HB2  MET   1          2HB       MET   1   1.243  16.987  -3.051
    6    HB3  MET   1          1HB       MET   1   2.941  16.785  -2.646
    7    HG2  MET   1          2HG       MET   1   2.936  14.554  -3.685
    8    HG3  MET   1          1HG       MET   1   1.223  14.732  -4.076
    9    HE1  MET   1          1HE       MET   1   3.108  15.031  -7.580
   10    HE2  MET   1          2HE       MET   1   1.915  14.106  -6.668
   11    HE3  MET   1          3HE       MET   1   3.622  14.032  -6.221
   12    H    LEU   2           H        LEU   2   1.153  13.259  -0.630
   13    HA   LEU   2           HA       LEU   2   3.742  12.106  -1.176
   14    HB2  LEU   2          2HB       LEU   2   4.029  13.058   1.146
   15    HB3  LEU   2          1HB       LEU   2   2.668  12.088   1.691
   16    HG   LEU   2           HG       LEU   2   3.949  10.008   1.109
   17   HD11  LEU   2          1HD1      LEU   2   6.253  11.891   0.520
   18   HD12  LEU   2          2HD1      LEU   2   5.389  10.886  -0.650
   19   HD13  LEU   2          3HD1      LEU   2   6.351  10.130   0.618
   20   HD21  LEU   2          1HD2      LEU   2   3.986  10.821   3.414
   21   HD22  LEU   2          2HD2      LEU   2   5.390  11.833   3.058
   22   HD23  LEU   2          3HD2      LEU   2   5.525  10.072   2.984
   23    H    GLU   3           H        GLU   3   0.596  11.796   0.393
   24    HA   GLU   3           HA       GLU   3   0.185   9.017  -0.129
   25    HB2  GLU   3          2HB       GLU   3  -1.854  11.193   0.499
   26    HB3  GLU   3          1HB       GLU   3  -2.128   9.454   0.605
   27    HG2  GLU   3          2HG       GLU   3  -0.270  11.118   2.329
   28    HG3  GLU   3          1HG       GLU   3  -1.761  10.323   2.830
   29    H    SER   4           H        SER   4  -0.810  12.025  -1.713
   30    HA   SER   4           HA       SER   4  -2.353  11.059  -3.828
   31    HB2  SER   4          2HB       SER   4  -0.425  13.432  -3.911
   32    HB3  SER   4          1HB       SER   4  -1.815  13.171  -4.966
   33    HG   SER   4           HG       SER   4  -3.019  13.135  -2.850
   34    H    LYS   5           H        LYS   5   1.104  11.019  -3.319
   35    HA   LYS   5           HA       LYS   5   1.924  10.630  -6.026
   36    HB2  LYS   5          2HB       LYS   5   3.231  11.603  -3.963
   37    HB3  LYS   5          1HB       LYS   5   3.581   9.931  -3.568
   38    HG2  LYS   5          2HG       LYS   5   4.313  11.217  -6.216
   39    HG3  LYS   5          1HG       LYS   5   5.385  11.200  -4.817
   40    HD2  LYS   5          2HD       LYS   5   5.325   8.688  -4.871
   41    HD3  LYS   5          1HD       LYS   5   4.355   8.770  -6.340
   42    HE2  LYS   5          2HE       LYS   5   7.158   9.906  -6.048
   43    HE3  LYS   5          1HE       LYS   5   6.762   8.354  -6.789
   44    HZ1  LYS   5          1HZ       LYS   5   5.846  11.013  -7.740
   45    HZ2  LYS   5          2HZ       LYS   5   5.444   9.530  -8.444
   46    HZ3  LYS   5          3HZ       LYS   5   7.042  10.056  -8.450
   47    H    LEU   6           H        LEU   6   1.591   8.432  -3.160
   48    HA   LEU   6           HA       LEU   6   2.490   6.097  -4.545
   49    HB2  LEU   6          2HB       LEU   6   1.908   4.821  -2.558
   50    HB3  LEU   6          1HB       LEU   6   2.745   6.292  -2.125
   51    HG   LEU   6           HG       LEU   6   0.216   7.172  -1.743
   52   HD11  LEU   6          1HD1      LEU   6  -0.904   5.109  -2.407
   53   HD12  LEU   6          2HD1      LEU   6  -1.213   5.472  -0.714
   54   HD13  LEU   6          3HD1      LEU   6  -0.055   4.209  -1.147
   55   HD21  LEU   6          1HD2      LEU   6   0.476   6.728   0.656
   56   HD22  LEU   6          2HD2      LEU   6   1.996   7.254  -0.063
   57   HD23  LEU   6          3HD2      LEU   6   1.748   5.547   0.316
   58    H    ILE   7           H        ILE   7  -0.691   7.494  -3.953
   59    HA   ILE   7           HA       ILE   7  -2.270   5.336  -4.948
   60    HB   ILE   7           HB       ILE   7  -2.851   8.320  -4.746
   61   HG12  ILE   7          2HG1      ILE   7  -3.884   6.072  -2.959
   62   HG13  ILE   7          1HG1      ILE   7  -2.451   7.019  -2.583
   63   HG21  ILE   7          1HG2      ILE   7  -5.249   7.795  -5.045
   64   HG22  ILE   7          2HG2      ILE   7  -4.848   6.100  -5.329
   65   HG23  ILE   7          3HG2      ILE   7  -4.313   7.332  -6.473
   66   HD11  ILE   7          1HD1      ILE   7  -5.272   8.072  -2.820
   67   HD12  ILE   7          2HD1      ILE   7  -3.839   9.051  -2.488
   68   HD13  ILE   7          3HD1      ILE   7  -4.352   7.819  -1.337
   69    H    ASN   8           H        ASN   8  -1.110   8.369  -6.437
   70    HA   ASN   8           HA       ASN   8  -2.418   8.110  -8.905
   71    HB2  ASN   8          2HB       ASN   8  -1.289  10.186  -7.783
   72    HB3  ASN   8          1HB       ASN   8   0.176   9.666  -8.592
   73   HD21  ASN   8          1HD2      ASN   8  -0.483   9.063 -11.093
   74   HD22  ASN   8          2HD2      ASN   8  -1.312  10.357 -11.877
   75    H    HIS   9           H        HIS   9   0.584   6.735  -7.793
   76    HA   HIS   9           HA       HIS   9   1.992   6.309 -10.166
   77    HB2  HIS   9          2HB       HIS   9   2.897   6.007  -7.877
   78    HB3  HIS   9          1HB       HIS   9   1.916   4.559  -7.674
   79    HD1  HIS   9           HD1      HIS   9   5.248   5.477  -8.371
   80    HD2  HIS   9           HD2      HIS   9   2.720   2.571  -9.926
   81    HE1  HIS   9           HE1      HIS   9   6.755   3.747  -9.374
   82    HE2  HIS   9           HE2      HIS   9   5.198   1.874 -10.029
   83    H    ILE  10           H        ILE  10   0.028   3.834  -8.444
   84    HA   ILE  10           HA       ILE  10  -0.221   2.259 -10.868
   85    HB   ILE  10           HB       ILE  10  -1.657   0.728  -9.383
   86   HG12  ILE  10          2HG1      ILE  10  -1.060   0.905  -6.892
   87   HG13  ILE  10          1HG1      ILE  10  -0.549   2.548  -7.199
   88   HG21  ILE  10          1HG2      ILE  10   1.288   1.078  -8.729
   89   HG22  ILE  10          2HG2      ILE  10   0.598   0.149 -10.063
   90   HG23  ILE  10          3HG2      ILE  10   0.323  -0.369  -8.401
   91   HD11  ILE  10          1HD1      ILE  10  -2.753   2.443  -6.215
   92   HD12  ILE  10          2HD1      ILE  10  -3.331   1.447  -7.552
   93   HD13  ILE  10          3HD1      ILE  10  -2.831   3.115  -7.845
   94    H    ALA  11           H        ALA  11  -2.161   4.654  -9.204
   95    HA   ALA  11           HA       ALA  11  -4.732   4.138 -10.117
   96    HB1  ALA  11          1HB       ALA  11  -3.418   6.867  -9.970
   97    HB2  ALA  11          2HB       ALA  11  -4.158   6.018  -8.616
   98    HB3  ALA  11          3HB       ALA  11  -5.159   6.547  -9.971
   99    H    THR  12           H        THR  12  -1.937   5.086 -11.978
  100    HA   THR  12           HA       THR  12  -3.016   6.093 -14.343
  101    HB   THR  12           HB       THR  12  -0.642   4.180 -14.222
  102    HG1  THR  12           HG1      THR  12   0.439   5.655 -13.163
  103   HG21  THR  12          1HG2      THR  12   0.242   5.554 -16.068
  104   HG22  THR  12          2HG2      THR  12  -1.199   6.572 -16.029
  105   HG23  THR  12          3HG2      THR  12  -1.326   4.877 -16.510
  106    H    GLN  13           H        GLN  13  -2.379   2.732 -13.398
  107    HA   GLN  13           HA       GLN  13  -3.696   1.630 -15.788
  108    HB2  GLN  13          2HB       GLN  13  -2.745  -0.551 -14.983
  109    HB3  GLN  13          1HB       GLN  13  -1.518   0.677 -15.275
  110    HG2  GLN  13          2HG       GLN  13  -1.291   1.087 -12.886
  111    HG3  GLN  13          1HG       GLN  13  -2.620  -0.015 -12.535
  112   HE21  GLN  13          1HE2      GLN  13   0.724   0.220 -13.517
  113   HE22  GLN  13          2HE2      GLN  13   1.122  -1.439 -13.254
  114    H    PHE  14           H        PHE  14  -4.249   2.092 -12.393
  115    HA   PHE  14           HA       PHE  14  -6.163  -0.067 -12.086
  116    HB2  PHE  14          2HB       PHE  14  -4.588   1.665 -10.228
  117    HB3  PHE  14          1HB       PHE  14  -6.236   1.382  -9.677
  118    HD1  PHE  14           HD1      PHE  14  -6.406  -0.398  -8.117
  119    HD2  PHE  14           HD2      PHE  14  -3.491  -0.660 -11.244
  120    HE1  PHE  14           HE1      PHE  14  -5.780  -2.647  -7.374
  121    HE2  PHE  14           HE2      PHE  14  -2.887  -2.901 -10.478
  122    HZ   PHE  14           HZ       PHE  14  -4.027  -3.903  -8.544
  123    H    LEU  15           H        LEU  15  -6.181   3.446 -12.449
  124    HA   LEU  15           HA       LEU  15  -9.146   3.507 -12.061
  125    HB2  LEU  15          2HB       LEU  15  -7.189   5.654 -11.161
  126    HB3  LEU  15          1HB       LEU  15  -8.925   5.639 -10.899
  127    HG   LEU  15           HG       LEU  15  -6.909   3.767  -9.585
  128   HD11  LEU  15          1HD1      LEU  15  -7.338   4.997  -7.545
  129   HD12  LEU  15          2HD1      LEU  15  -8.494   6.056  -8.353
  130   HD13  LEU  15          3HD1      LEU  15  -6.786   6.104  -8.794
  131   HD21  LEU  15          1HD2      LEU  15  -8.796   3.009  -8.181
  132   HD22  LEU  15          2HD2      LEU  15  -9.047   2.613  -9.876
  133   HD23  LEU  15          3HD2      LEU  15  -9.925   3.966  -9.149
  134    H    ASP  16           H        ASP  16  -7.001   3.781 -14.457
  135    HA   ASP  16           HA       ASP  16  -7.036   4.697 -16.549
  136    HB2  ASP  16          2HB       ASP  16  -9.599   4.604 -16.245
  137    HB3  ASP  16          1HB       ASP  16  -9.532   6.279 -15.761
  138    H    GLY  17           H        GLY  17  -5.622   5.891 -14.306
  139    HA2  GLY  17          2HA       GLY  17  -4.111   7.616 -14.069
  140    HA3  GLY  17          1HA       GLY  17  -4.745   8.366 -15.519
  141    H    GLU  18           H        GLU  18  -7.163   7.669 -13.268
  142    HA   GLU  18           HA       GLU  18  -7.333  10.504 -12.427
  143    HB2  GLU  18          2HB       GLU  18  -9.608  10.442 -12.819
  144    HB3  GLU  18          1HB       GLU  18  -9.182   9.128 -13.914
  145    HG2  GLU  18          2HG       GLU  18  -9.709   7.509 -12.079
  146    HG3  GLU  18          1HG       GLU  18 -10.248   8.859 -11.087
  147    H    LYS  19           H        LYS  19  -7.832  10.924 -10.222
  148    HA   LYS  19           HA       LYS  19  -7.416   8.727  -8.289
  149    HB2  LYS  19          2HB       LYS  19  -7.729  11.712  -7.808
  150    HB3  LYS  19          1HB       LYS  19  -7.264  10.496  -6.611
  151    HG2  LYS  19          2HG       LYS  19  -5.247   9.995  -8.133
  152    HG3  LYS  19          1HG       LYS  19  -5.658  11.488  -8.983
  153    HD2  LYS  19          2HD       LYS  19  -5.113  11.284  -6.012
  154    HD3  LYS  19          1HD       LYS  19  -3.913  11.772  -7.211
  155    HE2  LYS  19          2HE       LYS  19  -5.329  13.724  -7.815
  156    HE3  LYS  19          1HE       LYS  19  -6.512  13.236  -6.600
  157    HZ1  LYS  19          1HZ       LYS  19  -4.799  13.542  -4.908
  158    HZ2  LYS  19          2HZ       LYS  19  -5.116  14.962  -5.755
  159    HZ3  LYS  19          3HZ       LYS  19  -3.714  14.087  -6.090
  160    H    ASP  20           H        ASP  20  -9.250   7.618  -7.982
  161    HA   ASP  20           HA       ASP  20 -11.695   8.917  -7.132
  162    HB2  ASP  20          2HB       ASP  20 -11.969   9.118  -9.533
  163    HB3  ASP  20          1HB       ASP  20 -11.592   7.417  -9.768
  164    H    GLY  21           H        GLY  21 -12.166   7.791  -5.416
  165    HA2  GLY  21          2HA       GLY  21 -13.190   6.048  -4.288
  166    HA3  GLY  21          1HA       GLY  21 -12.773   4.946  -5.592
  167    H    LEU  22           H        LEU  22  -9.950   5.743  -5.596
  168    HA   LEU  22           HA       LEU  22  -8.996   4.139  -3.343
  169    HB2  LEU  22          2HB       LEU  22  -8.330   3.751  -5.807
  170    HB3  LEU  22          1HB       LEU  22  -7.444   5.250  -5.707
  171    HG   LEU  22           HG       LEU  22  -5.967   4.269  -3.949
  172   HD11  LEU  22          1HD1      LEU  22  -7.519   2.616  -2.992
  173   HD12  LEU  22          2HD1      LEU  22  -6.008   1.861  -3.486
  174   HD13  LEU  22          3HD1      LEU  22  -7.451   1.673  -4.484
  175   HD21  LEU  22          1HD2      LEU  22  -4.704   2.796  -5.450
  176   HD22  LEU  22          2HD2      LEU  22  -5.295   4.215  -6.313
  177   HD23  LEU  22          3HD2      LEU  22  -6.101   2.655  -6.521
  178    H    ASP  23           H        ASP  23  -8.752   5.390  -1.572
  179    HA   ASP  23           HA       ASP  23  -6.801   7.574  -1.643
  180    HB2  ASP  23          2HB       ASP  23  -9.120   8.604  -1.692
  181    HB3  ASP  23          1HB       ASP  23  -9.470   7.814  -0.160
  182    H    SER  24           H        SER  24  -6.004   8.091   0.582
  183    HA   SER  24           HA       SER  24  -5.079   5.830   1.948
  184    HB2  SER  24          2HB       SER  24  -5.155   8.722   2.908
  185    HB3  SER  24          1HB       SER  24  -4.109   7.446   3.547
  186    HG   SER  24           HG       SER  24  -2.810   7.728   1.921
  187    H    GLN  25           H        GLN  25  -7.747   8.006   2.647
  188    HA   GLN  25           HA       GLN  25  -8.403   6.831   5.210
  189    HB2  GLN  25          2HB       GLN  25  -9.910   8.887   3.568
  190    HB3  GLN  25          1HB       GLN  25 -10.294   8.418   5.222
  191    HG2  GLN  25          2HG       GLN  25  -7.797   9.830   4.259
  192    HG3  GLN  25          1HG       GLN  25  -9.075  10.492   5.265
  193   HE21  GLN  25          1HE2      GLN  25  -9.187   9.869   7.474
  194   HE22  GLN  25          2HE2      GLN  25  -7.832   9.170   8.284
  195    H    THR  26           H        THR  26  -9.161   6.138   1.947
  196    HA   THR  26           HA       THR  26 -11.766   5.037   2.282
  197    HB   THR  26           HB       THR  26  -9.774   4.340   0.075
  198    HG1  THR  26           HG1      THR  26 -11.139   5.980  -1.058
  199   HG21  THR  26          1HG2      THR  26 -11.698   2.806   0.201
  200   HG22  THR  26          2HG2      THR  26 -11.828   3.840  -1.221
  201   HG23  THR  26          3HG2      THR  26 -12.807   4.175   0.209
  202    HA   PRO  27           HA       PRO  27 -10.490   0.883   3.748
  203    HB2  PRO  27          2HB       PRO  27 -12.900  -0.356   3.421
  204    HB3  PRO  27          1HB       PRO  27 -12.562   0.718   4.799
  205    HG2  PRO  27          2HG       PRO  27 -14.049   1.323   2.262
  206    HG3  PRO  27          1HG       PRO  27 -14.463   1.762   3.933
  207    HD2  PRO  27          2HD       PRO  27 -13.279   3.510   2.223
  208    HD3  PRO  27          1HD       PRO  27 -12.980   3.560   3.970
  209    H    LEU  28           H        LEU  28  -9.223  -0.186   2.291
  210    HA   LEU  28           HA       LEU  28  -9.847  -0.200  -0.527
  211    HB2  LEU  28          2HB       LEU  28  -7.578  -1.657   0.886
  212    HB3  LEU  28          1HB       LEU  28  -7.670  -1.251  -0.821
  213    HG   LEU  28           HG       LEU  28  -7.256   0.671   1.505
  214   HD11  LEU  28          1HD1      LEU  28  -5.097   1.159   0.430
  215   HD12  LEU  28          2HD1      LEU  28  -5.421  -0.081  -0.785
  216   HD13  LEU  28          3HD1      LEU  28  -5.245  -0.529   0.914
  217   HD21  LEU  28          1HD2      LEU  28  -8.712   1.805  -0.068
  218   HD22  LEU  28          2HD2      LEU  28  -7.669   1.371  -1.423
  219   HD23  LEU  28          3HD2      LEU  28  -7.092   2.492  -0.189
  220    H    PHE  29           H        PHE  29  -9.761  -2.557   2.129
  221    HA   PHE  29           HA       PHE  29 -10.337  -4.829   0.464
  222    HB2  PHE  29          2HB       PHE  29  -9.613  -4.394   3.277
  223    HB3  PHE  29          1HB       PHE  29 -10.902  -5.583   3.156
  224    HD1  PHE  29           HD1      PHE  29  -7.977  -4.856   0.931
  225    HD2  PHE  29           HD2      PHE  29  -9.913  -7.710   3.466
  226    HE1  PHE  29           HE1      PHE  29  -6.337  -6.544   0.303
  227    HE2  PHE  29           HE2      PHE  29  -8.252  -9.404   2.817
  228    HZ   PHE  29           HZ       PHE  29  -6.464  -8.825   1.225
  229    H    GLU  30           H        GLU  30 -12.312  -2.781   2.623
  230    HA   GLU  30           HA       GLU  30 -14.648  -4.364   2.617
  231    HB2  GLU  30          2HB       GLU  30 -14.577  -1.320   2.792
  232    HB3  GLU  30          1HB       GLU  30 -15.877  -2.370   3.348
  233    HG2  GLU  30          2HG       GLU  30 -13.092  -2.132   4.522
  234    HG3  GLU  30          1HG       GLU  30 -14.591  -1.558   5.237
  235    H    LEU  31           H        LEU  31 -13.525  -1.877   0.398
  236    HA   LEU  31           HA       LEU  31 -15.871  -2.136  -1.346
  237    HB2  LEU  31          2HB       LEU  31 -13.423  -0.377  -1.711
  238    HB3  LEU  31          1HB       LEU  31 -14.936  -0.265  -2.594
  239    HG   LEU  31           HG       LEU  31 -14.440   0.466   0.319
  240   HD11  LEU  31          1HD1      LEU  31 -15.289   2.187  -2.030
  241   HD12  LEU  31          2HD1      LEU  31 -13.683   2.131  -1.301
  242   HD13  LEU  31          3HD1      LEU  31 -15.051   2.725  -0.363
  243   HD21  LEU  31          1HD2      LEU  31 -17.110   0.460  -1.145
  244   HD22  LEU  31          2HD2      LEU  31 -16.812   1.117   0.468
  245   HD23  LEU  31          3HD2      LEU  31 -16.638  -0.611   0.178
  246    H    ASN  32           H        ASN  32 -12.711  -3.425  -1.004
  247    HA   ASN  32           HA       ASN  32 -11.477  -4.949  -2.133
  248    HB2  ASN  32          2HB       ASN  32 -14.071  -5.400  -3.672
  249    HB3  ASN  32          1HB       ASN  32 -12.638  -6.394  -3.903
  250   HD21  ASN  32          1HD2      ASN  32 -15.246  -5.585  -1.718
  251   HD22  ASN  32          2HD2      ASN  32 -15.028  -6.929  -0.654
  252    H    ILE  33           H        ILE  33 -11.176  -2.267  -2.851
  253    HA   ILE  33           HA       ILE  33 -11.373  -1.701  -5.630
  254    HB   ILE  33           HB       ILE  33  -9.560  -0.356  -3.583
  255   HG12  ILE  33          2HG1      ILE  33 -12.395   0.419  -4.391
  256   HG13  ILE  33          1HG1      ILE  33 -11.972  -0.396  -2.889
  257   HG21  ILE  33          1HG2      ILE  33  -9.646   1.620  -5.080
  258   HG22  ILE  33          2HG2      ILE  33 -10.598   0.700  -6.246
  259   HG23  ILE  33          3HG2      ILE  33  -8.934   0.226  -5.899
  260   HD11  ILE  33          1HD1      ILE  33 -11.097   2.362  -3.720
  261   HD12  ILE  33          2HD1      ILE  33 -10.655   1.550  -2.215
  262   HD13  ILE  33          3HD1      ILE  33 -12.339   1.958  -2.538
  263    H    VAL  34           H        VAL  34  -8.541  -2.542  -3.592
  264    HA   VAL  34           HA       VAL  34  -6.822  -2.509  -6.006
  265    HB   VAL  34           HB       VAL  34  -6.154  -1.051  -4.099
  266   HG11  VAL  34          1HG1      VAL  34  -5.266  -1.992  -1.993
  267   HG12  VAL  34          2HG1      VAL  34  -5.665  -3.621  -2.536
  268   HG13  VAL  34          3HG1      VAL  34  -6.958  -2.461  -2.212
  269   HG21  VAL  34          1HG2      VAL  34  -3.745  -1.673  -4.018
  270   HG22  VAL  34          2HG2      VAL  34  -4.409  -1.818  -5.647
  271   HG23  VAL  34          3HG2      VAL  34  -4.143  -3.264  -4.676
  272    H    ASP  35           H        ASP  35  -5.560  -4.267  -6.597
  273    HA   ASP  35           HA       ASP  35  -6.192  -6.876  -5.363
  274    HB2  ASP  35          2HB       ASP  35  -5.108  -6.095  -8.088
  275    HB3  ASP  35          1HB       ASP  35  -4.992  -7.752  -7.507
  276    H    SER  36           H        SER  36  -4.320  -8.470  -5.545
  277    HA   SER  36           HA       SER  36  -2.407  -7.633  -3.619
  278    HB2  SER  36          2HB       SER  36  -3.528  -9.956  -3.909
  279    HB3  SER  36          1HB       SER  36  -2.302 -10.254  -5.141
  280    H    ALA  37           H        ALA  37  -2.357  -8.023  -7.088
  281    HA   ALA  37           HA       ALA  37   0.390  -8.226  -7.619
  282    HB1  ALA  37          1HB       ALA  37  -1.338  -8.679  -9.318
  283    HB2  ALA  37          2HB       ALA  37  -0.154  -7.512  -9.910
  284    HB3  ALA  37          3HB       ALA  37  -1.745  -6.962  -9.373
  285    H    ALA  38           H        ALA  38  -1.570  -5.383  -6.858
  286    HA   ALA  38           HA       ALA  38   0.419  -3.447  -7.768
  287    HB1  ALA  38          1HB       ALA  38  -1.148  -1.748  -6.885
  288    HB2  ALA  38          2HB       ALA  38  -2.156  -3.033  -6.212
  289    HB3  ALA  38          3HB       ALA  38  -1.959  -2.889  -7.957
  290    H    ILE  39           H        ILE  39  -0.270  -5.207  -4.903
  291    HA   ILE  39           HA       ILE  39   0.355  -3.413  -2.859
  292    HB   ILE  39           HB       ILE  39   0.623  -6.439  -2.945
  293   HG12  ILE  39          2HG1      ILE  39  -1.650  -5.657  -3.364
  294   HG13  ILE  39          1HG1      ILE  39  -1.580  -6.403  -1.775
  295   HG21  ILE  39          1HG2      ILE  39   0.569  -6.431  -0.460
  296   HG22  ILE  39          2HG2      ILE  39   0.691  -4.670  -0.468
  297   HG23  ILE  39          3HG2      ILE  39   2.019  -5.647  -1.096
  298   HD11  ILE  39          1HD1      ILE  39  -1.543  -4.162  -0.756
  299   HD12  ILE  39          2HD1      ILE  39  -2.972  -4.443  -1.745
  300   HD13  ILE  39          3HD1      ILE  39  -1.659  -3.444  -2.366
  301    H    PHE  40           H        PHE  40   2.489  -5.635  -4.644
  302    HA   PHE  40           HA       PHE  40   4.873  -5.317  -3.226
  303    HB2  PHE  40          2HB       PHE  40   4.508  -7.026  -4.984
  304    HB3  PHE  40          1HB       PHE  40   4.483  -5.783  -6.221
  305    HD1  PHE  40           HD1      PHE  40   6.664  -7.423  -3.671
  306    HD2  PHE  40           HD2      PHE  40   6.556  -5.027  -7.222
  307    HE1  PHE  40           HE1      PHE  40   9.099  -7.632  -3.897
  308    HE2  PHE  40           HE2      PHE  40   8.994  -5.248  -7.438
  309    HZ   PHE  40           HZ       PHE  40  10.267  -6.547  -5.774
  310    H    ASP  41           H        ASP  41   3.386  -3.205  -5.596
  311    HA   ASP  41           HA       ASP  41   5.653  -1.496  -6.065
  312    HB2  ASP  41          2HB       ASP  41   3.712  -1.898  -7.666
  313    HB3  ASP  41          1HB       ASP  41   2.707  -0.917  -6.611
  314    H    LEU  42           H        LEU  42   2.655  -1.261  -4.147
  315    HA   LEU  42           HA       LEU  42   3.093   1.282  -2.977
  316    HB2  LEU  42          2HB       LEU  42   1.364  -1.083  -2.183
  317    HB3  LEU  42          1HB       LEU  42   1.479   0.322  -1.139
  318    HG   LEU  42           HG       LEU  42   0.568   1.756  -2.965
  319   HD11  LEU  42          1HD1      LEU  42   1.274   0.503  -4.932
  320   HD12  LEU  42          2HD1      LEU  42  -0.462   0.800  -4.964
  321   HD13  LEU  42          3HD1      LEU  42   0.150  -0.798  -4.532
  322   HD21  LEU  42          1HD2      LEU  42  -1.230  -0.584  -2.233
  323   HD22  LEU  42          2HD2      LEU  42  -1.770   0.988  -2.830
  324   HD23  LEU  42          3HD2      LEU  42  -0.960   0.872  -1.270
  325    H    VAL  43           H        VAL  43   4.156  -1.935  -2.112
  326    HA   VAL  43           HA       VAL  43   5.245  -1.558   0.445
  327    HB   VAL  43           HB       VAL  43   6.122  -3.386  -1.834
  328   HG11  VAL  43          1HG1      VAL  43   7.430  -4.686  -0.184
  329   HG12  VAL  43          2HG1      VAL  43   7.082  -3.472   1.046
  330   HG13  VAL  43          3HG1      VAL  43   8.059  -3.046  -0.358
  331   HG21  VAL  43          1HG2      VAL  43   4.642  -4.081   0.708
  332   HG22  VAL  43          2HG2      VAL  43   4.981  -5.141  -0.653
  333   HG23  VAL  43          3HG2      VAL  43   3.869  -3.797  -0.848
  334    H    ASP  44           H        ASP  44   6.740  -1.299  -2.783
  335    HA   ASP  44           HA       ASP  44   9.361  -0.718  -2.073
  336    HB2  ASP  44          2HB       ASP  44   8.584  -1.211  -4.397
  337    HB3  ASP  44          1HB       ASP  44   7.853   0.374  -4.478
  338    H    PHE  45           H        PHE  45   6.588   1.389  -2.450
  339    HA   PHE  45           HA       PHE  45   7.920   3.842  -2.284
  340    HB2  PHE  45          2HB       PHE  45   5.617   3.545  -3.195
  341    HB3  PHE  45          1HB       PHE  45   5.031   3.179  -1.578
  342    HD1  PHE  45           HD1      PHE  45   6.161   5.842  -3.848
  343    HD2  PHE  45           HD2      PHE  45   4.797   4.996   0.122
  344    HE1  PHE  45           HE1      PHE  45   5.762   8.225  -3.460
  345    HE2  PHE  45           HE2      PHE  45   4.408   7.393   0.490
  346    HZ   PHE  45           HZ       PHE  45   4.891   9.009  -1.302
  347    H    LEU  46           H        LEU  46   6.274   1.845   0.187
  348    HA   LEU  46           HA       LEU  46   6.592   3.714   2.341
  349    HB2  LEU  46          2HB       LEU  46   5.993   0.742   2.474
  350    HB3  LEU  46          1HB       LEU  46   5.795   1.883   3.797
  351    HG   LEU  46           HG       LEU  46   4.190   1.857   1.210
  352   HD11  LEU  46          1HD1      LEU  46   3.340   1.099   4.017
  353   HD12  LEU  46          2HD1      LEU  46   3.628  -0.012   2.675
  354   HD13  LEU  46          3HD1      LEU  46   2.309   1.149   2.584
  355   HD21  LEU  46          1HD2      LEU  46   2.784   3.607   2.253
  356   HD22  LEU  46          2HD2      LEU  46   4.435   4.160   1.997
  357   HD23  LEU  46          3HD2      LEU  46   3.904   3.697   3.616
  358    H    ARG  47           H        ARG  47   8.431   0.822   1.344
  359    HA   ARG  47           HA       ARG  47  10.148   0.846   3.647
  360    HB2  ARG  47          2HB       ARG  47  11.495  -0.849   2.497
  361    HB3  ARG  47          1HB       ARG  47   9.790  -1.262   2.420
  362    HG2  ARG  47          2HG       ARG  47   9.662  -0.684   0.109
  363    HG3  ARG  47          1HG       ARG  47  11.242   0.090   0.126
  364    HD2  ARG  47          2HD       ARG  47  10.805  -2.877   0.609
  365    HD3  ARG  47          1HD       ARG  47  11.162  -2.181  -0.975
  366    HE   ARG  47           HE       ARG  47  13.091  -1.404   1.002
  367   HH11  ARG  47          1HH1      ARG  47  12.237  -4.041  -1.162
  368   HH12  ARG  47          2HH1      ARG  47  13.859  -4.642  -1.256
  369   HH21  ARG  47          1HH2      ARG  47  15.235  -2.187   0.813
  370   HH22  ARG  47          2HH2      ARG  47  15.550  -3.608  -0.146
  371    H    GLN  48           H        GLN  48  10.204   2.325   0.464
  372    HA   GLN  48           HA       GLN  48  12.794   3.449   0.486
  373    HB2  GLN  48          2HB       GLN  48  11.400   3.498  -1.536
  374    HB3  GLN  48          1HB       GLN  48  10.171   4.443  -0.705
  375    HG2  GLN  48          2HG       GLN  48  11.871   6.313  -0.494
  376    HG3  GLN  48          1HG       GLN  48  12.932   5.369  -1.534
  377   HE21  GLN  48          1HE2      GLN  48   9.418   5.599  -1.899
  378   HE22  GLN  48          2HE2      GLN  48   9.461   6.417  -3.417
  379    H    GLU  49           H        GLU  49   9.640   4.750   1.516
  380    HA   GLU  49           HA       GLU  49  10.406   7.257   2.483
  381    HB2  GLU  49          2HB       GLU  49   8.034   5.451   3.116
  382    HB3  GLU  49          1HB       GLU  49   8.196   7.029   3.880
  383    HG2  GLU  49          2HG       GLU  49   7.974   6.505   0.897
  384    HG3  GLU  49          1HG       GLU  49   6.697   7.139   1.939
  385    H    SER  50           H        SER  50  10.069   4.193   4.151
  386    HA   SER  50           HA       SER  50  10.765   5.310   6.757
  387    HB2  SER  50          2HB       SER  50   9.987   2.481   5.948
  388    HB3  SER  50          1HB       SER  50  10.141   3.079   7.605
  389    HG   SER  50           HG       SER  50   8.179   3.579   5.692
  390    H    LYS  51           H        LYS  51  12.547   4.155   4.160
  391    HA   LYS  51           HA       LYS  51  14.722   3.646   3.817
  392    HB2  LYS  51          2HB       LYS  51  15.094   4.724   6.640
  393    HB3  LYS  51          1HB       LYS  51  16.376   4.524   5.453
  394    HG2  LYS  51          2HG       LYS  51  14.007   6.419   5.193
  395    HG3  LYS  51          1HG       LYS  51  15.649   6.884   5.652
  396    HD2  LYS  51          2HD       LYS  51  14.802   5.701   2.973
  397    HD3  LYS  51          1HD       LYS  51  15.212   7.390   3.277
  398    HE2  LYS  51          2HE       LYS  51  17.532   6.681   3.875
  399    HE3  LYS  51          1HE       LYS  51  17.100   5.016   3.483
  400    HZ1  LYS  51          1HZ       LYS  51  16.627   5.732   1.228
  401    HZ2  LYS  51          2HZ       LYS  51  18.224   6.044   1.663
  402    HZ3  LYS  51          3HZ       LYS  51  17.111   7.310   1.614
  403    H    VAL  52           H        VAL  52  13.310   1.452   4.359
  404    HA   VAL  52           HA       VAL  52  15.030  -0.308   5.992
  405    HB   VAL  52           HB       VAL  52  13.042   0.446   7.330
  406   HG11  VAL  52          1HG1      VAL  52  11.357  -1.022   5.266
  407   HG12  VAL  52          2HG1      VAL  52  11.401   0.725   5.513
  408   HG13  VAL  52          3HG1      VAL  52  10.761  -0.328   6.778
  409   HG21  VAL  52          1HG2      VAL  52  13.035  -2.530   6.720
  410   HG22  VAL  52          2HG2      VAL  52  12.351  -1.775   8.160
  411   HG23  VAL  52          3HG2      VAL  52  14.092  -1.712   7.873
  412    H    SER  53           H        SER  53  14.862  -2.570   5.390
  413    HA   SER  53           HA       SER  53  13.609  -3.173   2.773
  414    HB2  SER  53          2HB       SER  53  15.020  -5.299   2.964
  415    HB3  SER  53          1HB       SER  53  15.956  -3.806   2.868
  416    HG   SER  53           HG       SER  53  15.254  -4.808   5.398
  417    H    ILE  54           H        ILE  54  12.231  -4.982   2.603
  418    HA   ILE  54           HA       ILE  54  11.044  -6.071   5.084
  419    HB   ILE  54           HB       ILE  54   9.532  -4.309   4.421
  420   HG12  ILE  54          2HG1      ILE  54   8.413  -6.996   3.499
  421   HG13  ILE  54          1HG1      ILE  54   8.347  -6.344   5.129
  422   HG21  ILE  54          1HG2      ILE  54   9.516  -5.449   1.613
  423   HG22  ILE  54          2HG2      ILE  54  10.344  -3.976   2.128
  424   HG23  ILE  54          3HG2      ILE  54   8.583  -4.062   2.185
  425   HD11  ILE  54          1HD1      ILE  54   6.205  -6.203   4.033
  426   HD12  ILE  54          2HD1      ILE  54   6.901  -5.266   2.713
  427   HD13  ILE  54          3HD1      ILE  54   6.832  -4.583   4.339
  428    H    GLY  55           H        GLY  55  10.305  -8.191   4.923
  429    HA2  GLY  55          2HA       GLY  55  11.263  -9.860   2.774
  430    HA3  GLY  55          1HA       GLY  55  10.334 -10.367   4.178
  431    H    MET  56           H        MET  56  10.011 -10.975   1.232
  432    HA   MET  56           HA       MET  56   7.664  -9.656   0.268
  433    HB2  MET  56          2HB       MET  56   8.876 -12.300  -0.594
  434    HB3  MET  56          1HB       MET  56   7.669 -11.394  -1.497
  435    HG2  MET  56          2HG       MET  56   9.335  -9.510  -1.668
  436    HG3  MET  56          1HG       MET  56  10.528 -10.587  -0.944
  437    HE1  MET  56          1HE       MET  56   8.386  -9.738  -4.096
  438    HE2  MET  56          2HE       MET  56   7.677 -11.296  -3.657
  439    HE3  MET  56          3HE       MET  56   8.642 -11.149  -5.124
  440    H    GLN  57           H        GLN  57   8.052 -11.942   2.666
  441    HA   GLN  57           HA       GLN  57   5.576 -13.375   2.484
  442    HB2  GLN  57          2HB       GLN  57   7.547 -13.024   4.791
  443    HB3  GLN  57          1HB       GLN  57   6.178 -14.128   4.810
  444    HG2  GLN  57          2HG       GLN  57   8.117 -15.431   4.346
  445    HG3  GLN  57          1HG       GLN  57   7.201 -15.329   2.846
  446   HE21  GLN  57          1HE2      GLN  57   9.002 -15.825   1.593
  447   HE22  GLN  57          2HE2      GLN  57  10.297 -14.715   1.322
  448    H    GLU  58           H        GLU  58   6.687 -10.393   3.991
  449    HA   GLU  58           HA       GLU  58   4.231  -9.961   5.524
  450    HB2  GLU  58          2HB       GLU  58   6.627  -8.148   5.024
  451    HB3  GLU  58          1HB       GLU  58   5.332  -7.836   6.180
  452    HG2  GLU  58          2HG       GLU  58   7.154 -10.255   6.310
  453    HG3  GLU  58          1HG       GLU  58   7.467  -8.747   7.154
  454    H    ILE  59           H        ILE  59   5.447  -9.316   2.369
  455    HA   ILE  59           HA       ILE  59   3.690  -7.160   1.661
  456    HB   ILE  59           HB       ILE  59   5.089  -9.164  -0.150
  457   HG12  ILE  59          2HG1      ILE  59   5.996  -6.394   0.775
  458   HG13  ILE  59          1HG1      ILE  59   6.737  -7.930   1.212
  459   HG21  ILE  59          1HG2      ILE  59   3.778  -6.495  -0.795
  460   HG22  ILE  59          2HG2      ILE  59   3.250  -8.094  -1.321
  461   HG23  ILE  59          3HG2      ILE  59   4.767  -7.432  -1.923
  462   HD11  ILE  59          1HD1      ILE  59   8.059  -6.785  -0.443
  463   HD12  ILE  59          2HD1      ILE  59   6.679  -6.686  -1.536
  464   HD13  ILE  59          3HD1      ILE  59   7.387  -8.258  -1.145
  465    H    HIS  60           H        HIS  60   1.644  -7.792   2.341
  466    HA   HIS  60           HA       HIS  60   0.188  -9.536   0.512
  467    HB2  HIS  60          2HB       HIS  60   0.715 -10.273   3.278
  468    HB3  HIS  60          1HB       HIS  60  -1.003  -9.917   3.146
  469    HD1  HIS  60           HD1      HIS  60   1.634 -12.149   1.566
  470    HD2  HIS  60           HD2      HIS  60  -2.493 -11.884   1.922
  471    HE1  HIS  60           HE1      HIS  60   0.740 -14.301   0.640
  472    HE2  HIS  60           HE2      HIS  60  -1.763 -14.000   0.642
  473    HA   PRO  61           HA       PRO  61  -2.553  -5.980   0.577
  474    HB2  PRO  61          2HB       PRO  61  -4.896  -7.135  -0.340
  475    HB3  PRO  61          1HB       PRO  61  -3.514  -6.779  -1.396
  476    HG2  PRO  61          2HG       PRO  61  -4.296  -9.379  -0.135
  477    HG3  PRO  61          1HG       PRO  61  -3.737  -9.051  -1.787
  478    HD2  PRO  61          2HD       PRO  61  -2.078 -10.047   0.120
  479    HD3  PRO  61          1HD       PRO  61  -1.488  -8.958  -1.159
  480    H    ALA  62           H        ALA  62  -3.264  -8.900   2.369
  481    HA   ALA  62           HA       ALA  62  -5.322  -8.071   4.071
  482    HB1  ALA  62          1HB       ALA  62  -4.439 -10.378   4.029
  483    HB2  ALA  62          2HB       ALA  62  -4.425  -9.732   5.673
  484    HB3  ALA  62          3HB       ALA  62  -2.925  -9.821   4.744
  485    H    ASN  63           H        ASN  63  -1.831  -7.537   4.235
  486    HA   ASN  63           HA       ASN  63  -1.833  -6.052   6.710
  487    HB2  ASN  63          2HB       ASN  63   0.365  -6.221   4.590
  488    HB3  ASN  63          1HB       ASN  63   0.562  -5.736   6.272
  489   HD21  ASN  63          1HD2      ASN  63   2.124  -7.319   6.660
  490   HD22  ASN  63          2HD2      ASN  63   1.746  -8.998   6.752
  491    H    PHE  64           H        PHE  64  -2.152  -5.368   3.341
  492    HA   PHE  64           HA       PHE  64  -1.926  -2.444   3.665
  493    HB2  PHE  64          2HB       PHE  64  -1.805  -4.283   1.230
  494    HB3  PHE  64          1HB       PHE  64  -1.912  -2.530   1.088
  495    HD1  PHE  64           HD1      PHE  64   0.186  -5.182   2.710
  496    HD2  PHE  64           HD2      PHE  64   0.098  -1.300   0.936
  497    HE1  PHE  64           HE1      PHE  64   2.616  -5.058   2.867
  498    HE2  PHE  64           HE2      PHE  64   2.541  -1.175   1.126
  499    HZ   PHE  64           HZ       PHE  64   3.807  -3.060   2.091
  500    H    ALA  65           H        ALA  65  -4.235  -4.126   4.539
  501    HA   ALA  65           HA       ALA  65  -6.445  -4.103   2.812
  502    HB1  ALA  65          1HB       ALA  65  -7.805  -4.421   4.842
  503    HB2  ALA  65          2HB       ALA  65  -6.440  -3.913   5.843
  504    HB3  ALA  65          3HB       ALA  65  -6.338  -5.404   4.905
  505    H    THR  66           H        THR  66  -5.127  -1.579   4.859
  506    HA   THR  66           HA       THR  66  -6.505   0.461   3.299
  507    HB   THR  66           HB       THR  66  -6.849   1.909   5.366
  508    HG1  THR  66           HG1      THR  66  -6.492  -0.544   6.762
  509   HG21  THR  66          1HG2      THR  66  -8.832   0.800   4.399
  510   HG22  THR  66          2HG2      THR  66  -8.955   0.910   6.156
  511   HG23  THR  66          3HG2      THR  66  -8.529  -0.625   5.396
  512    H    VAL  67           H        VAL  67  -5.339   2.650   3.820
  513    HA   VAL  67           HA       VAL  67  -2.490   2.231   3.832
  514    HB   VAL  67           HB       VAL  67  -4.106   4.802   3.841
  515   HG11  VAL  67          1HG1      VAL  67  -1.125   4.437   3.350
  516   HG12  VAL  67          2HG1      VAL  67  -1.859   5.252   4.733
  517   HG13  VAL  67          3HG1      VAL  67  -2.029   5.936   3.116
  518   HG21  VAL  67          1HG2      VAL  67  -3.565   4.873   1.423
  519   HG22  VAL  67          2HG2      VAL  67  -4.449   3.400   1.828
  520   HG23  VAL  67          3HG2      VAL  67  -2.705   3.333   1.561
  521    H    GLN  68           H        GLN  68  -4.876   3.078   6.237
  522    HA   GLN  68           HA       GLN  68  -3.184   3.821   8.369
  523    HB2  GLN  68          2HB       GLN  68  -5.687   4.068   8.368
  524    HB3  GLN  68          1HB       GLN  68  -5.836   2.321   8.524
  525    HG2  GLN  68          2HG       GLN  68  -4.519   2.530  10.705
  526    HG3  GLN  68          1HG       GLN  68  -4.718   4.275  10.561
  527   HE21  GLN  68          1HE2      GLN  68  -6.876   5.143  10.715
  528   HE22  GLN  68          2HE2      GLN  68  -8.125   4.255  11.508
  529    H    SER  69           H        SER  69  -4.351   0.648   7.251
  530    HA   SER  69           HA       SER  69  -3.170  -0.976   9.250
  531    HB2  SER  69          2HB       SER  69  -3.893  -1.709   6.375
  532    HB3  SER  69          1HB       SER  69  -3.543  -2.862   7.662
  533    HG   SER  69           HG       SER  69  -5.349  -1.819   8.796
  534    H    MET  70           H        MET  70  -2.031   0.134   6.067
  535    HA   MET  70           HA       MET  70   0.183  -1.684   5.971
  536    HB2  MET  70          2HB       MET  70   0.623  -0.850   3.802
  537    HB3  MET  70          1HB       MET  70  -1.132  -0.790   3.968
  538    HG2  MET  70          2HG       MET  70  -1.019   1.626   4.333
  539    HG3  MET  70          1HG       MET  70   0.736   1.584   4.243
  540    HE1  MET  70          1HE       MET  70  -1.869  -0.411   1.998
  541    HE2  MET  70          2HE       MET  70  -2.000   0.668   0.610
  542    HE3  MET  70          3HE       MET  70  -2.635   1.173   2.176
  543    H    VAL  71           H        VAL  71  -0.192   1.739   6.890
  544    HA   VAL  71           HA       VAL  71   2.603   2.331   7.053
  545    HB   VAL  71           HB       VAL  71   0.822   4.107   6.928
  546   HG11  VAL  71          1HG1      VAL  71  -0.341   4.870   8.965
  547   HG12  VAL  71          2HG1      VAL  71   0.342   3.514   9.862
  548   HG13  VAL  71          3HG1      VAL  71  -0.792   3.213   8.548
  549   HG21  VAL  71          1HG2      VAL  71   1.994   5.737   8.384
  550   HG22  VAL  71          2HG2      VAL  71   3.138   4.692   7.538
  551   HG23  VAL  71          3HG2      VAL  71   2.776   4.405   9.241
  552    H    ALA  72           H        ALA  72   0.222   1.057   9.290
  553    HA   ALA  72           HA       ALA  72   1.759   1.130  11.684
  554    HB1  ALA  72          1HB       ALA  72  -0.703   0.982  11.709
  555    HB2  ALA  72          2HB       ALA  72   0.012  -0.380  12.582
  556    HB3  ALA  72          3HB       ALA  72  -0.620  -0.609  10.949
  557    H    LEU  73           H        LEU  73   1.281  -1.257   9.117
  558    HA   LEU  73           HA       LEU  73   2.569  -3.498  10.182
  559    HB2  LEU  73          2HB       LEU  73   1.380  -4.010   8.248
  560    HB3  LEU  73          1HB       LEU  73   1.776  -2.485   7.479
  561    HG   LEU  73           HG       LEU  73   4.155  -3.476   7.184
  562   HD11  LEU  73          1HD1      LEU  73   3.987  -5.415   8.627
  563   HD12  LEU  73          2HD1      LEU  73   4.316  -5.908   6.966
  564   HD13  LEU  73          3HD1      LEU  73   2.688  -6.084   7.631
  565   HD21  LEU  73          1HD2      LEU  73   3.540  -4.485   5.047
  566   HD22  LEU  73          2HD2      LEU  73   2.672  -2.983   5.359
  567   HD23  LEU  73          3HD2      LEU  73   1.850  -4.529   5.557
  568    H    VAL  74           H        VAL  74   3.790  -0.684   8.376
  569    HA   VAL  74           HA       VAL  74   6.440  -1.589   8.050
  570    HB   VAL  74           HB       VAL  74   5.501   1.314   8.167
  571   HG11  VAL  74          1HG1      VAL  74   7.943   1.142   8.452
  572   HG12  VAL  74          2HG1      VAL  74   7.565   1.795   6.859
  573   HG13  VAL  74          3HG1      VAL  74   8.062   0.110   7.021
  574   HG21  VAL  74          1HG2      VAL  74   5.414   1.183   5.683
  575   HG22  VAL  74          2HG2      VAL  74   4.301   0.036   6.423
  576   HG23  VAL  74          3HG2      VAL  74   5.829  -0.533   5.755
  577    H    GLN  75           H        GLN  75   4.847   0.141  10.687
  578    HA   GLN  75           HA       GLN  75   7.190   0.607  12.262
  579    HB2  GLN  75          2HB       GLN  75   4.313   0.412  13.240
  580    HB3  GLN  75          1HB       GLN  75   5.646   1.234  14.039
  581    HG2  GLN  75          2HG       GLN  75   4.203   2.062  11.510
  582    HG3  GLN  75          1HG       GLN  75   4.254   2.908  13.052
  583   HE21  GLN  75          1HE2      GLN  75   5.923   2.311  10.053
  584   HE22  GLN  75          2HE2      GLN  75   7.196   3.457  10.287
  585    H    ARG  76           H        ARG  76   5.131  -2.168  11.767
  586    HA   ARG  76           HA       ARG  76   5.922  -3.604  14.164
  587    HB2  ARG  76          2HB       ARG  76   4.552  -4.755  11.692
  588    HB3  ARG  76          1HB       ARG  76   4.638  -5.487  13.295
  589    HG2  ARG  76          2HG       ARG  76   3.290  -3.578  14.183
  590    HG3  ARG  76          1HG       ARG  76   3.138  -2.975  12.536
  591    HD2  ARG  76          2HD       ARG  76   1.131  -4.155  12.986
  592    HD3  ARG  76          1HD       ARG  76   2.083  -5.217  11.941
  593    HE   ARG  76           HE       ARG  76   2.536  -5.738  14.727
  594   HH11  ARG  76          1HH1      ARG  76   0.315  -6.430  12.099
  595   HH12  ARG  76          2HH1      ARG  76  -0.267  -7.890  12.822
  596   HH21  ARG  76          1HH2      ARG  76   1.729  -7.606  15.687
  597   HH22  ARG  76          2HH2      ARG  76   0.535  -8.561  14.868
  598    H    LEU  77           H        LEU  77   6.839  -3.648  10.707
  599    HA   LEU  77           HA       LEU  77   8.673  -5.847  10.965
  600    HB2  LEU  77          2HB       LEU  77   9.429  -5.303   8.667
  601    HB3  LEU  77          1HB       LEU  77   7.695  -5.497   8.808
  602    HG   LEU  77           HG       LEU  77   7.581  -2.915   8.872
  603   HD11  LEU  77          1HD1      LEU  77   9.371  -1.709   7.652
  604   HD12  LEU  77          2HD1      LEU  77  10.398  -3.141   7.787
  605   HD13  LEU  77          3HD1      LEU  77   9.857  -2.293   9.244
  606   HD21  LEU  77          1HD2      LEU  77   6.748  -4.223   7.017
  607   HD22  LEU  77          2HD2      LEU  77   8.360  -4.305   6.306
  608   HD23  LEU  77          3HD2      LEU  77   7.526  -2.753   6.428
  609    H    LYS  78           H        LYS  78   8.864  -2.456  11.567
  610    HA   LYS  78           HA       LYS  78  11.686  -2.131  11.758
  611    HB2  LYS  78          2HB       LYS  78   9.338  -0.758  13.119
  612    HB3  LYS  78          1HB       LYS  78  10.995  -0.260  13.408
  613    HG2  LYS  78          2HG       LYS  78   9.588  -0.216  10.719
  614    HG3  LYS  78          1HG       LYS  78   9.858   1.182  11.769
  615    HD2  LYS  78          2HD       LYS  78  12.305   0.846  11.576
  616    HD3  LYS  78          1HD       LYS  78  12.032  -0.524  10.491
  617    HE2  LYS  78          2HE       LYS  78  11.023   0.948   8.835
  618    HE3  LYS  78          1HE       LYS  78  11.134   2.322   9.941
  619    HZ1  LYS  78          1HZ       LYS  78  13.470   2.266   9.830
  620    HZ2  LYS  78          2HZ       LYS  78  12.906   2.199   8.249
  621    HZ3  LYS  78          3HZ       LYS  78  13.483   0.805   8.990
  622    H    ALA  79           H        ALA  79   9.165  -3.052  14.079
  623    HA   ALA  79           HA       ALA  79  10.859  -3.517  16.330
  624    HB1  ALA  79          1HB       ALA  79   8.035  -4.498  15.759
  625    HB2  ALA  79          2HB       ALA  79   8.462  -2.992  16.574
  626    HB3  ALA  79          3HB       ALA  79   8.837  -4.541  17.333
  627    H    HIS  80           H        HIS  80  10.088  -5.306  13.511
  628    HA   HIS  80           HA       HIS  80  10.845  -7.923  14.511
  629    HB2  HIS  80          2HB       HIS  80   9.094  -7.270  12.626
  630    HB3  HIS  80          1HB       HIS  80  10.504  -7.235  11.578
  631    HD1  HIS  80           HD1      HIS  80   7.940  -9.406  12.788
  632    HD2  HIS  80           HD2      HIS  80  11.908  -9.919  11.666
  633    HE1  HIS  80           HE1      HIS  80   8.193 -11.864  12.334
  634    HE2  HIS  80           HE2      HIS  80  10.630 -12.162  11.782
  635    HA   PRO  81           HA       PRO  81  15.132  -6.479  13.984
  636    HB2  PRO  81          2HB       PRO  81  16.442  -8.700  14.963
  637    HB3  PRO  81          1HB       PRO  81  15.572  -7.556  16.006
  638    HG2  PRO  81          2HG       PRO  81  14.624 -10.198  14.924
  639    HG3  PRO  81          1HG       PRO  81  14.512  -9.561  16.581
  640    HD2  PRO  81          2HD       PRO  81  12.407  -9.448  14.883
  641    HD3  PRO  81          1HD       PRO  81  12.713  -8.152  16.066
  642    H    GLU  82           H        GLU  82  13.851  -9.254  12.328
  643    HA   GLU  82           HA       GLU  82  16.171  -9.891  10.756
  644    HB2  GLU  82          2HB       GLU  82  13.237 -10.546  10.285
  645    HB3  GLU  82          1HB       GLU  82  14.582 -11.250   9.388
  646    HG2  GLU  82          2HG       GLU  82  15.431 -12.266  11.489
  647    HG3  GLU  82          1HG       GLU  82  14.060 -11.585  12.365
  648    H    GLN  83           H        GLN  83  13.299  -7.870  10.295
  649    HA   GLN  83           HA       GLN  83  13.951  -7.306   7.494
  650    HB2  GLN  83          2HB       GLN  83  11.600  -6.342   9.170
  651    HB3  GLN  83          1HB       GLN  83  11.750  -6.248   7.413
  652    HG2  GLN  83          2HG       GLN  83  11.797  -8.761   7.350
  653    HG3  GLN  83          1HG       GLN  83  11.476  -8.768   9.090
  654   HE21  GLN  83          1HE2      GLN  83   9.404  -8.222   9.818
  655   HE22  GLN  83          2HE2      GLN  83   8.056  -8.067   8.757
  656    H    GLY  84           H        GLY  84  13.331  -5.513  10.508
  657    HA2  GLY  84          2HA       GLY  84  14.329  -3.003   9.444
  658    HA3  GLY  84          1HA       GLY  84  13.682  -3.292  11.049
  659    H    GLY  85           H        GLY  85  16.165  -5.434   9.931
  660    HA2  GLY  85          2HA       GLY  85  17.923  -4.687  12.080
  661    HA3  GLY  85          1HA       GLY  85  18.168  -5.958  10.897
  662    H    ALA  86           H        ALA  86  18.204  -4.673   8.508
  663    HA   ALA  86           HA       ALA  86  19.899  -2.327   8.522
  664    HB1  ALA  86          1HB       ALA  86  21.053  -4.953   7.485
  665    HB2  ALA  86          2HB       ALA  86  21.579  -4.100   8.936
  666    HB3  ALA  86          3HB       ALA  86  21.815  -3.363   7.352
  667    H    ALA  87           H        ALA  87  20.531  -1.704   6.261
  668    HA   ALA  87           HA       ALA  87  19.003  -2.774   4.033
  669    HB1  ALA  87          1HB       ALA  87  17.955  -0.588   3.468
  670    HB2  ALA  87          2HB       ALA  87  18.592   0.101   4.966
  671    HB3  ALA  87          3HB       ALA  87  17.391  -1.189   5.028
  672    H    LEU  88           H        LEU  88  20.031  -2.343   2.048
  673    HA   LEU  88           HA       LEU  88  22.194  -0.430   1.880
  674    HB2  LEU  88          2HB       LEU  88  23.961  -1.914   1.289
  675    HB3  LEU  88          1HB       LEU  88  23.328  -2.426   2.842
  676    HG   LEU  88           HG       LEU  88  22.693  -3.776   0.189
  677   HD11  LEU  88          1HD1      LEU  88  25.045  -4.021   0.700
  678   HD12  LEU  88          2HD1      LEU  88  24.212  -5.560   0.897
  679   HD13  LEU  88          3HD1      LEU  88  24.669  -4.616   2.319
  680   HD21  LEU  88          1HD2      LEU  88  22.104  -4.726   3.014
  681   HD22  LEU  88          2HD2      LEU  88  21.768  -5.616   1.523
  682   HD23  LEU  88          3HD2      LEU  88  20.925  -4.103   1.861
  683    H    GLU  89           H        GLU  89  23.087  -0.218  -0.271
  684    HA   GLU  89           HA       GLU  89  21.269  -1.047  -2.459
  685    HB2  GLU  89          2HB       GLU  89  23.124   1.386  -2.296
  686    HB3  GLU  89          1HB       GLU  89  22.103   0.967  -3.670
  687    HG2  GLU  89          2HG       GLU  89  20.087   1.316  -2.326
  688    HG3  GLU  89          1HG       GLU  89  21.068   1.656  -0.900
  689   H282  PNS 101          3H28      PNS 136   0.987  -9.721  -2.893
  690   H281  PNS 101          2H28      PNS 136   0.928  -9.601  -4.651
  691   H303  PNS 101          3H51      PNS 136   3.218  -8.670  -3.064
  692   H302  PNS 101          2H51      PNS 136   4.511  -9.430  -3.984
  693   H301  PNS 101          1H51      PNS 136   3.151  -8.684  -4.832
  694   H313  PNS 101          3H52      PNS 136   4.005 -11.639  -5.234
  695   H312  PNS 101          2H52      PNS 136   2.687 -10.785  -6.036
  696   H311  PNS 101          1H52      PNS 136   2.367 -12.298  -5.161
  697    H32  PNS 101           H32      PNS 136   2.913 -10.841  -1.771
  698    H33  PNS 101           H33      PNS 136   1.405 -12.400  -2.403
  699    H36  PNS 101           H36      PNS 136   4.172 -13.689  -2.118
  700   H372  PNS 101          3H37      PNS 136   7.006 -12.895  -2.597
  701   H371  PNS 101          2H37      PNS 136   6.490 -13.897  -1.245
  702   H382  PNS 101          3H38      PNS 136   7.503 -15.241  -3.019
  703   H381  PNS 101          2H38      PNS 136   5.817 -15.678  -2.745
  704    H41  PNS 101           H41      PNS 136   6.463 -12.757  -4.575
  705   H422  PNS 101          3H42      PNS 136   4.971 -13.472  -6.819
  706   H421  PNS 101          2H42      PNS 136   6.661 -13.812  -7.193
  707   H431  PNS 101          2H43      PNS 136   5.535 -11.125  -6.336
  708   H432  PNS 101          3H43      PNS 136   7.236 -11.457  -6.707
  709    H44  PNS 101           H44      PNS 136   6.119 -10.145  -8.918
  Start of MODEL    5
    1    H1   MET   1          1H        MET   1   2.585  16.385   0.338
    2    H2   MET   1          2H        MET   1   1.242  17.393   0.196
    3    H3   MET   1          3H        MET   1   2.057  16.867  -1.191
    4    HA   MET   1           HA       MET   1   0.590  15.157   0.715
    5    HB2  MET   1          2HB       MET   1  -0.136  15.899  -2.154
    6    HB3  MET   1          1HB       MET   1  -1.047  14.816  -1.105
    7    HG2  MET   1          2HG       MET   1  -2.152  16.948  -1.169
    8    HG3  MET   1          1HG       MET   1  -1.454  16.732   0.441
    9    HE1  MET   1          1HE       MET   1  -1.067  20.612  -0.088
   10    HE2  MET   1          2HE       MET   1  -1.698  19.344   0.961
   11    HE3  MET   1          3HE       MET   1  -2.417  19.612  -0.627
   12    H    LEU   2           H        LEU   2   2.031  13.550   0.938
   13    HA   LEU   2           HA       LEU   2   3.681  12.621  -1.300
   14    HB2  LEU   2          2HB       LEU   2   4.690  13.256   0.886
   15    HB3  LEU   2          1HB       LEU   2   3.763  11.993   1.674
   16    HG   LEU   2           HG       LEU   2   5.023  10.274   0.362
   17   HD11  LEU   2          1HD1      LEU   2   5.595  11.593  -1.615
   18   HD12  LEU   2          2HD1      LEU   2   7.039  10.895  -0.887
   19   HD13  LEU   2          3HD1      LEU   2   6.675  12.606  -0.651
   20   HD21  LEU   2          1HD2      LEU   2   5.768  10.850   2.611
   21   HD22  LEU   2          2HD2      LEU   2   6.769  12.158   1.972
   22   HD23  LEU   2          3HD2      LEU   2   7.144  10.479   1.576
   23    H    GLU   3           H        GLU   3   1.176  11.496   0.935
   24    HA   GLU   3           HA       GLU   3   1.211   8.739   0.193
   25    HB2  GLU   3          2HB       GLU   3  -0.731   8.473   1.518
   26    HB3  GLU   3          1HB       GLU   3   0.224   9.694   2.339
   27    HG2  GLU   3          2HG       GLU   3  -2.117  10.320   0.522
   28    HG3  GLU   3          1HG       GLU   3  -2.245  10.118   2.253
   29    H    SER   4           H        SER   4  -0.258  11.584  -1.138
   30    HA   SER   4           HA       SER   4  -2.212  10.444  -2.839
   31    HB2  SER   4          2HB       SER   4  -0.621  13.031  -3.183
   32    HB3  SER   4          1HB       SER   4  -2.119  12.625  -4.027
   33    HG   SER   4           HG       SER   4  -1.843  12.820  -1.210
   34    H    LYS   5           H        LYS   5   1.238  10.490  -3.024
   35    HA   LYS   5           HA       LYS   5   1.486  10.237  -5.880
   36    HB2  LYS   5          2HB       LYS   5   3.225  11.283  -4.416
   37    HB3  LYS   5          1HB       LYS   5   3.555   9.702  -3.718
   38    HG2  LYS   5          2HG       LYS   5   4.237   8.883  -5.974
   39    HG3  LYS   5          1HG       LYS   5   3.962  10.501  -6.623
   40    HD2  LYS   5          2HD       LYS   5   6.020   9.711  -4.530
   41    HD3  LYS   5          1HD       LYS   5   6.344  10.159  -6.203
   42    HE2  LYS   5          2HE       LYS   5   5.278  11.971  -4.015
   43    HE3  LYS   5          1HE       LYS   5   6.874  12.034  -4.759
   44    HZ1  LYS   5          1HZ       LYS   5   5.752  12.534  -6.887
   45    HZ2  LYS   5          2HZ       LYS   5   5.526  13.719  -5.707
   46    HZ3  LYS   5          3HZ       LYS   5   4.280  12.636  -6.058
   47    H    LEU   6           H        LEU   6   1.624   7.961  -3.079
   48    HA   LEU   6           HA       LEU   6   2.335   5.653  -4.578
   49    HB2  LEU   6          2HB       LEU   6   1.754   4.317  -2.644
   50    HB3  LEU   6          1HB       LEU   6   2.582   5.762  -2.124
   51    HG   LEU   6           HG       LEU   6   0.015   6.593  -1.784
   52   HD11  LEU   6          1HD1      LEU   6  -0.150   3.622  -1.209
   53   HD12  LEU   6          2HD1      LEU   6  -1.030   4.506  -2.457
   54   HD13  LEU   6          3HD1      LEU   6  -1.354   4.834  -0.759
   55   HD21  LEU   6          1HD2      LEU   6   1.820   6.708  -0.099
   56   HD22  LEU   6          2HD2      LEU   6   1.520   5.022   0.334
   57   HD23  LEU   6          3HD2      LEU   6   0.268   6.248   0.598
   58    H    ILE   7           H        ILE   7  -0.738   7.172  -3.809
   59    HA   ILE   7           HA       ILE   7  -2.472   5.191  -4.870
   60    HB   ILE   7           HB       ILE   7  -2.906   8.203  -4.676
   61   HG12  ILE   7          2HG1      ILE   7  -3.823   6.086  -2.678
   62   HG13  ILE   7          1HG1      ILE   7  -2.344   7.018  -2.478
   63   HG21  ILE   7          1HG2      ILE   7  -4.489   7.080  -6.227
   64   HG22  ILE   7          2HG2      ILE   7  -5.308   7.707  -4.792
   65   HG23  ILE   7          3HG2      ILE   7  -4.969   5.981  -4.927
   66   HD11  ILE   7          1HD1      ILE   7  -3.667   9.086  -2.406
   67   HD12  ILE   7          2HD1      ILE   7  -4.127   7.943  -1.144
   68   HD13  ILE   7          3HD1      ILE   7  -5.147   8.133  -2.570
   69    H    ASN   8           H        ASN   8  -1.328   8.307  -6.206
   70    HA   ASN   8           HA       ASN   8  -2.460   8.205  -8.741
   71    HB2  ASN   8          2HB       ASN   8  -1.473  10.240  -7.726
   72    HB3  ASN   8          1HB       ASN   8   0.143   9.561  -7.895
   73   HD21  ASN   8          1HD2      ASN   8   1.070   9.436 -10.006
   74   HD22  ASN   8          2HD2      ASN   8   0.438  10.369 -11.318
   75    H    HIS   9           H        HIS   9   0.436   6.697  -7.558
   76    HA   HIS   9           HA       HIS   9   1.933   6.251  -9.854
   77    HB2  HIS   9          2HB       HIS   9   2.686   5.905  -7.482
   78    HB3  HIS   9          1HB       HIS   9   1.736   4.431  -7.420
   79    HD1  HIS   9           HD1      HIS   9   5.074   5.472  -7.862
   80    HD2  HIS   9           HD2      HIS   9   2.727   2.563  -9.666
   81    HE1  HIS   9           HE1      HIS   9   6.689   3.835  -8.845
   82    HE2  HIS   9           HE2      HIS   9   5.235   1.945  -9.659
   83    H    ILE  10           H        ILE  10  -0.165   3.780  -8.232
   84    HA   ILE  10           HA       ILE  10  -0.304   2.241 -10.696
   85    HB   ILE  10           HB       ILE  10  -1.720   0.668  -9.496
   86   HG12  ILE  10          2HG1      ILE  10  -1.365   1.941  -6.810
   87   HG13  ILE  10          1HG1      ILE  10  -2.572   2.672  -7.848
   88   HG21  ILE  10          1HG2      ILE  10   0.801   1.335  -7.971
   89   HG22  ILE  10          2HG2      ILE  10   0.668   0.313  -9.402
   90   HG23  ILE  10          3HG2      ILE  10  -0.071  -0.199  -7.883
   91   HD11  ILE  10          1HD1      ILE  10  -2.445  -0.209  -7.042
   92   HD12  ILE  10          2HD1      ILE  10  -3.677   0.567  -8.046
   93   HD13  ILE  10          3HD1      ILE  10  -3.494   1.030  -6.354
   94    H    ALA  11           H        ALA  11  -2.286   4.627  -9.029
   95    HA   ALA  11           HA       ALA  11  -4.801   4.195 -10.117
   96    HB1  ALA  11          1HB       ALA  11  -4.330   5.960  -8.454
   97    HB2  ALA  11          2HB       ALA  11  -5.229   6.584  -9.837
   98    HB3  ALA  11          3HB       ALA  11  -3.501   6.900  -9.696
   99    H    THR  12           H        THR  12  -1.896   5.238 -11.717
  100    HA   THR  12           HA       THR  12  -2.928   6.335 -14.099
  101    HB   THR  12           HB       THR  12  -0.373   4.694 -13.831
  102    HG1  THR  12           HG1      THR  12   0.024   6.196 -12.353
  103   HG21  THR  12          1HG2      THR  12  -0.938   5.306 -16.167
  104   HG22  THR  12          2HG2      THR  12   0.486   6.187 -15.607
  105   HG23  THR  12          3HG2      THR  12  -1.079   6.999 -15.688
  106    H    GLN  13           H        GLN  13  -2.185   2.966 -13.154
  107    HA   GLN  13           HA       GLN  13  -3.042   1.917 -15.800
  108    HB2  GLN  13          2HB       GLN  13  -1.921  -0.194 -15.079
  109    HB3  GLN  13          1HB       GLN  13  -0.828   1.187 -15.053
  110    HG2  GLN  13          2HG       GLN  13  -1.252   1.362 -12.563
  111    HG3  GLN  13          1HG       GLN  13  -2.110  -0.173 -12.670
  112   HE21  GLN  13          1HE2      GLN  13   0.993   1.401 -12.932
  113   HE22  GLN  13          2HE2      GLN  13   1.958  -0.027 -12.817
  114    H    PHE  14           H        PHE  14  -4.236   2.374 -12.677
  115    HA   PHE  14           HA       PHE  14  -6.077   0.072 -12.756
  116    HB2  PHE  14          2HB       PHE  14  -4.635   1.479 -10.527
  117    HB3  PHE  14          1HB       PHE  14  -6.286   0.975 -10.161
  118    HD1  PHE  14           HD1      PHE  14  -5.432  -0.571  -8.410
  119    HD2  PHE  14           HD2      PHE  14  -4.228  -1.034 -12.495
  120    HE1  PHE  14           HE1      PHE  14  -4.685  -2.865  -7.942
  121    HE2  PHE  14           HE2      PHE  14  -3.460  -3.309 -12.005
  122    HZ   PHE  14           HZ       PHE  14  -3.687  -4.236  -9.732
  123    H    LEU  15           H        LEU  15  -5.981   3.596 -12.686
  124    HA   LEU  15           HA       LEU  15  -8.953   3.706 -12.478
  125    HB2  LEU  15          2HB       LEU  15  -7.058   5.620 -11.069
  126    HB3  LEU  15          1HB       LEU  15  -8.810   5.612 -10.972
  127    HG   LEU  15           HG       LEU  15  -6.941   3.526  -9.787
  128   HD11  LEU  15          1HD1      LEU  15  -8.653   5.619  -8.407
  129   HD12  LEU  15          2HD1      LEU  15  -6.904   5.693  -8.638
  130   HD13  LEU  15          3HD1      LEU  15  -7.599   4.425  -7.647
  131   HD21  LEU  15          1HD2      LEU  15  -9.043   2.466 -10.473
  132   HD22  LEU  15          2HD2      LEU  15  -9.978   3.684  -9.602
  133   HD23  LEU  15          3HD2      LEU  15  -8.937   2.564  -8.718
  134    H    ASP  16           H        ASP  16  -6.864   4.180 -14.766
  135    HA   ASP  16           HA       ASP  16  -6.744   5.489 -16.638
  136    HB2  ASP  16          2HB       ASP  16  -9.276   5.445 -16.476
  137    HB3  ASP  16          1HB       ASP  16  -9.213   6.921 -15.536
  138    H    GLY  17           H        GLY  17  -5.389   6.251 -14.123
  139    HA2  GLY  17          2HA       GLY  17  -3.809   7.871 -13.618
  140    HA3  GLY  17          1HA       GLY  17  -4.475   8.925 -14.848
  141    H    GLU  18           H        GLU  18  -7.036   7.921 -12.957
  142    HA   GLU  18           HA       GLU  18  -7.135  10.553 -11.621
  143    HB2  GLU  18          2HB       GLU  18  -9.432  10.505 -11.910
  144    HB3  GLU  18          1HB       GLU  18  -9.026   9.372 -13.197
  145    HG2  GLU  18          2HG       GLU  18  -9.543   7.488 -11.663
  146    HG3  GLU  18          1HG       GLU  18  -9.987   8.643 -10.407
  147    H    LYS  19           H        LYS  19  -7.543  10.724  -9.366
  148    HA   LYS  19           HA       LYS  19  -7.230   8.264  -7.742
  149    HB2  LYS  19          2HB       LYS  19  -7.021  11.159  -6.857
  150    HB3  LYS  19          1HB       LYS  19  -6.704   9.733  -5.874
  151    HG2  LYS  19          2HG       LYS  19  -4.889   9.161  -7.639
  152    HG3  LYS  19          1HG       LYS  19  -5.058  10.840  -8.147
  153    HD2  LYS  19          2HD       LYS  19  -4.446   9.997  -5.306
  154    HD3  LYS  19          1HD       LYS  19  -3.197  10.362  -6.488
  155    HE2  LYS  19          2HE       LYS  19  -3.474  12.313  -5.116
  156    HE3  LYS  19          1HE       LYS  19  -4.177  12.688  -6.685
  157    HZ1  LYS  19          1HZ       LYS  19  -5.530  13.460  -4.822
  158    HZ2  LYS  19          2HZ       LYS  19  -5.717  11.871  -4.282
  159    HZ3  LYS  19          3HZ       LYS  19  -6.357  12.339  -5.772
  160    H    ASP  20           H        ASP  20  -9.193   7.395  -7.474
  161    HA   ASP  20           HA       ASP  20 -11.160   8.665  -5.827
  162    HB2  ASP  20          2HB       ASP  20 -11.739   9.608  -8.106
  163    HB3  ASP  20          1HB       ASP  20 -12.064   7.968  -8.662
  164    H    GLY  21           H        GLY  21 -12.038   7.110  -4.601
  165    HA2  GLY  21          2HA       GLY  21 -12.933   5.070  -3.946
  166    HA3  GLY  21          1HA       GLY  21 -12.574   4.392  -5.529
  167    H    LEU  22           H        LEU  22  -9.789   5.189  -5.466
  168    HA   LEU  22           HA       LEU  22  -8.602   3.446  -3.413
  169    HB2  LEU  22          2HB       LEU  22  -8.090   3.103  -5.872
  170    HB3  LEU  22          1HB       LEU  22  -7.407   4.710  -5.909
  171    HG   LEU  22           HG       LEU  22  -5.689   3.907  -4.195
  172   HD11  LEU  22          1HD1      LEU  22  -6.869   1.937  -3.353
  173   HD12  LEU  22          2HD1      LEU  22  -5.294   1.493  -4.003
  174   HD13  LEU  22          3HD1      LEU  22  -6.755   1.164  -4.937
  175   HD21  LEU  22          1HD2      LEU  22  -5.689   2.589  -6.932
  176   HD22  LEU  22          2HD2      LEU  22  -4.278   2.857  -5.903
  177   HD23  LEU  22          3HD2      LEU  22  -5.155   4.234  -6.562
  178    H    ASP  23           H        ASP  23  -8.241   4.672  -1.633
  179    HA   ASP  23           HA       ASP  23  -6.627   7.106  -1.864
  180    HB2  ASP  23          2HB       ASP  23  -9.107   7.021  -0.072
  181    HB3  ASP  23          1HB       ASP  23  -7.972   8.355  -0.214
  182    H    SER  24           H        SER  24  -5.946   7.767   0.437
  183    HA   SER  24           HA       SER  24  -4.612   5.564   1.661
  184    HB2  SER  24          2HB       SER  24  -3.691   7.879   1.514
  185    HB3  SER  24          1HB       SER  24  -4.958   8.448   2.595
  186    HG   SER  24           HG       SER  24  -2.768   7.881   3.449
  187    H    GLN  25           H        GLN  25  -7.358   7.653   2.614
  188    HA   GLN  25           HA       GLN  25  -7.843   6.262   5.119
  189    HB2  GLN  25          2HB       GLN  25  -9.173   8.615   3.766
  190    HB3  GLN  25          1HB       GLN  25  -9.888   7.863   5.186
  191    HG2  GLN  25          2HG       GLN  25  -8.600   9.828   5.803
  192    HG3  GLN  25          1HG       GLN  25  -7.892   8.381   6.497
  193   HE21  GLN  25          1HE2      GLN  25  -5.823   7.773   5.885
  194   HE22  GLN  25          2HE2      GLN  25  -4.793   8.770   4.923
  195    H    THR  26           H        THR  26  -8.803   5.731   1.910
  196    HA   THR  26           HA       THR  26 -11.485   4.799   2.384
  197    HB   THR  26           HB       THR  26  -9.695   4.629  -0.078
  198    HG1  THR  26           HG1      THR  26 -11.142   6.295  -0.765
  199   HG21  THR  26          1HG2      THR  26 -11.339   2.817  -0.217
  200   HG22  THR  26          2HG2      THR  26 -11.796   4.119  -1.320
  201   HG23  THR  26          3HG2      THR  26 -12.634   3.932   0.222
  202    HA   PRO  27           HA       PRO  27 -10.377   0.489   3.350
  203    HB2  PRO  27          2HB       PRO  27 -12.810  -0.668   2.911
  204    HB3  PRO  27          1HB       PRO  27 -12.478   0.316   4.361
  205    HG2  PRO  27          2HG       PRO  27 -13.847   1.141   1.810
  206    HG3  PRO  27          1HG       PRO  27 -14.347   1.443   3.488
  207    HD2  PRO  27          2HD       PRO  27 -13.073   3.329   2.043
  208    HD3  PRO  27          1HD       PRO  27 -12.772   3.159   3.784
  209    H    LEU  28           H        LEU  28  -8.993  -0.057   1.729
  210    HA   LEU  28           HA       LEU  28  -9.631  -0.145  -1.049
  211    HB2  LEU  28          2HB       LEU  28  -7.287  -1.465   0.374
  212    HB3  LEU  28          1HB       LEU  28  -7.374  -1.046  -1.330
  213    HG   LEU  28           HG       LEU  28  -7.145   0.866   1.023
  214   HD11  LEU  28          1HD1      LEU  28  -5.241   0.373  -1.281
  215   HD12  LEU  28          2HD1      LEU  28  -5.035  -0.179   0.384
  216   HD13  LEU  28          3HD1      LEU  28  -5.025   1.545   0.024
  217   HD21  LEU  28          1HD2      LEU  28  -7.117   2.717  -0.630
  218   HD22  LEU  28          2HD2      LEU  28  -8.674   1.904  -0.527
  219   HD23  LEU  28          3HD2      LEU  28  -7.599   1.576  -1.890
  220    H    PHE  29           H        PHE  29  -9.899  -2.390   1.565
  221    HA   PHE  29           HA       PHE  29 -10.087  -4.765  -0.056
  222    HB2  PHE  29          2HB       PHE  29  -9.669  -4.204   2.755
  223    HB3  PHE  29          1HB       PHE  29 -11.052  -5.286   2.625
  224    HD1  PHE  29           HD1      PHE  29  -7.571  -4.821   1.423
  225    HD2  PHE  29           HD2      PHE  29 -10.665  -7.620   2.329
  226    HE1  PHE  29           HE1      PHE  29  -6.045  -6.653   1.016
  227    HE2  PHE  29           HE2      PHE  29  -9.104  -9.474   1.919
  228    HZ   PHE  29           HZ       PHE  29  -6.780  -8.990   1.251
  229    H    GLU  30           H        GLU  30 -12.375  -2.798   1.858
  230    HA   GLU  30           HA       GLU  30 -14.608  -4.531   1.533
  231    HB2  GLU  30          2HB       GLU  30 -14.763  -1.538   2.096
  232    HB3  GLU  30          1HB       GLU  30 -15.956  -2.761   2.509
  233    HG2  GLU  30          2HG       GLU  30 -13.233  -2.347   3.761
  234    HG3  GLU  30          1HG       GLU  30 -14.804  -2.106   4.514
  235    H    LEU  31           H        LEU  31 -13.313  -1.902  -0.362
  236    HA   LEU  31           HA       LEU  31 -15.571  -1.940  -2.250
  237    HB2  LEU  31          2HB       LEU  31 -13.096  -0.186  -2.262
  238    HB3  LEU  31          1HB       LEU  31 -14.544   0.033  -3.232
  239    HG   LEU  31           HG       LEU  31 -14.232   0.459  -0.243
  240   HD11  LEU  31          1HD1      LEU  31 -14.995   2.386  -2.446
  241   HD12  LEU  31          2HD1      LEU  31 -13.420   2.270  -1.658
  242   HD13  LEU  31          3HD1      LEU  31 -14.832   2.761  -0.726
  243   HD21  LEU  31          1HD2      LEU  31 -16.838   0.572  -1.813
  244   HD22  LEU  31          2HD2      LEU  31 -16.613   1.062  -0.131
  245   HD23  LEU  31          3HD2      LEU  31 -16.407  -0.625  -0.587
  246    H    ASN  32           H        ASN  32 -12.318  -3.090  -1.878
  247    HA   ASN  32           HA       ASN  32 -10.971  -4.468  -3.066
  248    HB2  ASN  32          2HB       ASN  32 -13.113  -5.831  -3.159
  249    HB3  ASN  32          1HB       ASN  32 -13.417  -5.156  -4.753
  250   HD21  ASN  32          1HD2      ASN  32 -13.378  -7.238  -5.663
  251   HD22  ASN  32          2HD2      ASN  32 -11.905  -8.105  -5.911
  252    H    ILE  33           H        ILE  33 -10.822  -1.826  -3.762
  253    HA   ILE  33           HA       ILE  33 -11.070  -1.324  -6.587
  254    HB   ILE  33           HB       ILE  33  -9.572   0.289  -4.480
  255   HG12  ILE  33          2HG1      ILE  33 -11.961   0.030  -3.892
  256   HG13  ILE  33          1HG1      ILE  33 -11.625   1.689  -4.358
  257   HG21  ILE  33          1HG2      ILE  33  -8.833   0.897  -6.734
  258   HG22  ILE  33          2HG2      ILE  33  -9.811   2.202  -6.057
  259   HG23  ILE  33          3HG2      ILE  33 -10.507   1.109  -7.253
  260   HD11  ILE  33          1HD1      ILE  33 -13.733   0.979  -5.251
  261   HD12  ILE  33          2HD1      ILE  33 -12.984  -0.402  -6.048
  262   HD13  ILE  33          3HD1      ILE  33 -12.601   1.241  -6.577
  263    H    VAL  34           H        VAL  34  -8.356  -1.919  -4.384
  264    HA   VAL  34           HA       VAL  34  -6.511  -2.218  -6.663
  265    HB   VAL  34           HB       VAL  34  -5.744  -0.712  -4.846
  266   HG11  VAL  34          1HG1      VAL  34  -5.657  -3.156  -3.045
  267   HG12  VAL  34          2HG1      VAL  34  -6.788  -1.810  -2.891
  268   HG13  VAL  34          3HG1      VAL  34  -5.061  -1.543  -2.642
  269   HG21  VAL  34          1HG2      VAL  34  -4.087  -1.866  -6.252
  270   HG22  VAL  34          2HG2      VAL  34  -4.024  -3.200  -5.100
  271   HG23  VAL  34          3HG2      VAL  34  -3.464  -1.598  -4.623
  272    H    ASP  35           H        ASP  35  -5.656  -4.163  -7.197
  273    HA   ASP  35           HA       ASP  35  -6.501  -6.588  -5.813
  274    HB2  ASP  35          2HB       ASP  35  -6.587  -6.446  -8.304
  275    HB3  ASP  35          1HB       ASP  35  -4.846  -6.286  -8.354
  276    H    SER  36           H        SER  36  -4.814  -8.312  -5.542
  277    HA   SER  36           HA       SER  36  -2.908  -7.401  -3.627
  278    HB2  SER  36          2HB       SER  36  -2.620  -9.632  -3.038
  279    HB3  SER  36          1HB       SER  36  -4.270  -9.616  -3.656
  280    H    ALA  37           H        ALA  37  -2.721  -8.115  -6.995
  281    HA   ALA  37           HA       ALA  37   0.027  -8.669  -7.341
  282    HB1  ALA  37          1HB       ALA  37  -1.660  -9.072  -9.103
  283    HB2  ALA  37          2HB       ALA  37  -0.339  -8.076  -9.713
  284    HB3  ALA  37          3HB       ALA  37  -1.887  -7.333  -9.302
  285    H    ALA  38           H        ALA  38  -1.755  -5.615  -7.102
  286    HA   ALA  38           HA       ALA  38   0.462  -3.934  -7.888
  287    HB1  ALA  38          1HB       ALA  38  -1.040  -2.057  -7.336
  288    HB2  ALA  38          2HB       ALA  38  -2.201  -3.198  -6.651
  289    HB3  ALA  38          3HB       ALA  38  -1.835  -3.243  -8.373
  290    H    ILE  39           H        ILE  39  -0.521  -5.428  -4.935
  291    HA   ILE  39           HA       ILE  39   0.331  -3.577  -2.986
  292    HB   ILE  39           HB       ILE  39   0.339  -6.626  -2.855
  293   HG12  ILE  39          2HG1      ILE  39  -1.889  -5.674  -3.321
  294   HG13  ILE  39          1HG1      ILE  39  -1.843  -6.388  -1.718
  295   HG21  ILE  39          1HG2      ILE  39   0.339  -6.410  -0.380
  296   HG22  ILE  39          2HG2      ILE  39   0.537  -4.664  -0.537
  297   HG23  ILE  39          3HG2      ILE  39   1.817  -5.746  -1.094
  298   HD11  ILE  39          1HD1      ILE  39  -1.713  -3.448  -2.361
  299   HD12  ILE  39          2HD1      ILE  39  -1.638  -4.156  -0.743
  300   HD13  ILE  39          3HD1      ILE  39  -3.093  -4.337  -1.719
  301    H    PHE  40           H        PHE  40   2.137  -5.936  -4.913
  302    HA   PHE  40           HA       PHE  40   4.621  -5.816  -3.574
  303    HB2  PHE  40          2HB       PHE  40   4.005  -7.565  -5.249
  304    HB3  PHE  40          1HB       PHE  40   4.097  -6.365  -6.532
  305    HD1  PHE  40           HD1      PHE  40   6.187  -7.935  -3.824
  306    HD2  PHE  40           HD2      PHE  40   6.159  -6.096  -7.695
  307    HE1  PHE  40           HE1      PHE  40   8.584  -8.429  -4.086
  308    HE2  PHE  40           HE2      PHE  40   8.555  -6.596  -7.943
  309    HZ   PHE  40           HZ       PHE  40   9.770  -7.759  -6.141
  310    H    ASP  41           H        ASP  41   3.118  -3.602  -5.834
  311    HA   ASP  41           HA       ASP  41   5.490  -1.964  -6.240
  312    HB2  ASP  41          2HB       ASP  41   3.812  -2.181  -8.039
  313    HB3  ASP  41          1HB       ASP  41   2.563  -1.535  -6.976
  314    H    LEU  42           H        LEU  42   2.386  -1.728  -4.488
  315    HA   LEU  42           HA       LEU  42   2.585   0.889  -3.494
  316    HB2  LEU  42          2HB       LEU  42   1.130  -1.528  -2.369
  317    HB3  LEU  42          1HB       LEU  42   0.875   0.112  -1.788
  318    HG   LEU  42           HG       LEU  42   0.218  -0.924  -4.577
  319   HD11  LEU  42          1HD1      LEU  42  -2.118  -0.560  -3.959
  320   HD12  LEU  42          2HD1      LEU  42  -1.631  -0.078  -2.331
  321   HD13  LEU  42          3HD1      LEU  42  -1.341  -1.727  -2.892
  322   HD21  LEU  42          1HD2      LEU  42   0.951   1.402  -4.736
  323   HD22  LEU  42          2HD2      LEU  42  -0.181   1.878  -3.468
  324   HD23  LEU  42          3HD2      LEU  42  -0.784   1.283  -5.018
  325    H    VAL  43           H        VAL  43   3.752  -2.156  -2.224
  326    HA   VAL  43           HA       VAL  43   4.466  -1.259   0.368
  327    HB   VAL  43           HB       VAL  43   4.074  -3.654  -0.183
  328   HG11  VAL  43          1HG1      VAL  43   5.152  -3.793  -2.366
  329   HG12  VAL  43          2HG1      VAL  43   5.755  -5.041  -1.276
  330   HG13  VAL  43          3HG1      VAL  43   6.745  -3.618  -1.613
  331   HG21  VAL  43          1HG2      VAL  43   5.275  -3.058   1.864
  332   HG22  VAL  43          2HG2      VAL  43   6.812  -3.141   1.002
  333   HG23  VAL  43          3HG2      VAL  43   5.845  -4.599   1.223
  334    H    ASP  44           H        ASP  44   6.255  -1.586  -2.707
  335    HA   ASP  44           HA       ASP  44   8.878  -1.100  -1.950
  336    HB2  ASP  44          2HB       ASP  44   8.177  -1.674  -4.272
  337    HB3  ASP  44          1HB       ASP  44   7.443  -0.102  -4.464
  338    H    PHE  45           H        PHE  45   6.269   1.152  -2.598
  339    HA   PHE  45           HA       PHE  45   7.731   3.519  -2.607
  340    HB2  PHE  45          2HB       PHE  45   5.393   3.190  -3.485
  341    HB3  PHE  45          1HB       PHE  45   4.812   3.142  -1.826
  342    HD1  PHE  45           HD1      PHE  45   6.217   5.297  -4.474
  343    HD2  PHE  45           HD2      PHE  45   4.610   5.205  -0.509
  344    HE1  PHE  45           HE1      PHE  45   5.969   7.735  -4.503
  345    HE2  PHE  45           HE2      PHE  45   4.372   7.648  -0.555
  346    HZ   PHE  45           HZ       PHE  45   5.042   8.913  -2.545
  347    H    LEU  46           H        LEU  46   5.978   1.857   0.031
  348    HA   LEU  46           HA       LEU  46   6.432   3.734   2.104
  349    HB2  LEU  46          2HB       LEU  46   6.096   0.722   2.391
  350    HB3  LEU  46          1HB       LEU  46   5.863   1.907   3.660
  351    HG   LEU  46           HG       LEU  46   4.099   1.460   1.221
  352   HD11  LEU  46          1HD1      LEU  46   2.373   0.860   2.858
  353   HD12  LEU  46          2HD1      LEU  46   3.527   1.085   4.175
  354   HD13  LEU  46          3HD1      LEU  46   3.781  -0.190   2.981
  355   HD21  LEU  46          1HD2      LEU  46   3.765   3.607   3.342
  356   HD22  LEU  46          2HD2      LEU  46   2.610   3.220   2.064
  357   HD23  LEU  46          3HD2      LEU  46   4.192   3.871   1.649
  358    H    ARG  47           H        ARG  47   8.398   1.110   0.837
  359    HA   ARG  47           HA       ARG  47  10.372   1.108   2.944
  360    HB2  ARG  47          2HB       ARG  47  10.181  -0.231   0.224
  361    HB3  ARG  47          1HB       ARG  47  11.706  -0.259   1.106
  362    HG2  ARG  47          2HG       ARG  47  10.524  -2.323   1.543
  363    HG3  ARG  47          1HG       ARG  47  10.551  -1.359   3.018
  364    HD2  ARG  47          2HD       ARG  47   8.170  -0.556   1.933
  365    HD3  ARG  47          1HD       ARG  47   8.264  -2.201   1.330
  366    HE   ARG  47           HE       ARG  47   7.993  -3.012   3.453
  367   HH11  ARG  47          1HH1      ARG  47   8.339   0.487   3.653
  368   HH12  ARG  47          2HH1      ARG  47   7.798   0.563   5.295
  369   HH21  ARG  47          1HH2      ARG  47   7.272  -2.887   5.582
  370   HH22  ARG  47          2HH2      ARG  47   7.190  -1.359   6.393
  371    H    GLN  48           H        GLN  48   9.906   2.732  -0.066
  372    HA   GLN  48           HA       GLN  48  12.502   3.883  -0.428
  373    HB2  GLN  48          2HB       GLN  48  10.892   3.525  -2.280
  374    HB3  GLN  48          1HB       GLN  48   9.763   4.641  -1.531
  375    HG2  GLN  48          2HG       GLN  48  11.401   6.488  -1.899
  376    HG3  GLN  48          1HG       GLN  48  12.463   5.343  -2.711
  377   HE21  GLN  48          1HE2      GLN  48   8.942   5.324  -3.066
  378   HE22  GLN  48          2HE2      GLN  48   8.930   5.831  -4.713
  379    H    GLU  49           H        GLU  49   9.500   4.852   1.179
  380    HA   GLU  49           HA       GLU  49  10.302   7.544   1.821
  381    HB2  GLU  49          2HB       GLU  49   8.121   5.786   3.032
  382    HB3  GLU  49          1HB       GLU  49   8.310   7.508   3.337
  383    HG2  GLU  49          2HG       GLU  49   7.782   8.029   1.024
  384    HG3  GLU  49          1HG       GLU  49   7.712   6.310   0.622
  385    H    SER  50           H        SER  50   9.922   4.541   3.692
  386    HA   SER  50           HA       SER  50  10.843   5.822   6.143
  387    HB2  SER  50          2HB       SER  50   8.777   4.194   5.813
  388    HB3  SER  50          1HB       SER  50   9.983   2.926   6.000
  389    HG   SER  50           HG       SER  50   9.724   5.046   7.850
  390    H    LYS  51           H        LYS  51  12.393   4.298   3.647
  391    HA   LYS  51           HA       LYS  51  14.475   3.545   3.260
  392    HB2  LYS  51          2HB       LYS  51  15.158   4.825   5.945
  393    HB3  LYS  51          1HB       LYS  51  16.298   4.438   4.664
  394    HG2  LYS  51          2HG       LYS  51  14.128   6.560   4.583
  395    HG3  LYS  51          1HG       LYS  51  15.872   6.819   4.649
  396    HD2  LYS  51          2HD       LYS  51  16.109   5.813   2.392
  397    HD3  LYS  51          1HD       LYS  51  14.363   5.547   2.329
  398    HE2  LYS  51          2HE       LYS  51  14.040   8.031   2.514
  399    HE3  LYS  51          1HE       LYS  51  15.791   8.230   2.415
  400    HZ1  LYS  51          1HZ       LYS  51  14.695   8.525   0.271
  401    HZ2  LYS  51          2HZ       LYS  51  14.101   6.948   0.342
  402    HZ3  LYS  51          3HZ       LYS  51  15.765   7.216   0.239
  403    H    VAL  52           H        VAL  52  12.815   1.632   4.186
  404    HA   VAL  52           HA       VAL  52  14.496  -0.123   5.913
  405    HB   VAL  52           HB       VAL  52  12.595   0.828   7.240
  406   HG11  VAL  52          1HG1      VAL  52  10.746  -0.594   5.297
  407   HG12  VAL  52          2HG1      VAL  52  10.931   1.151   5.468
  408   HG13  VAL  52          3HG1      VAL  52  10.255   0.204   6.795
  409   HG21  VAL  52          1HG2      VAL  52  13.470  -1.383   7.870
  410   HG22  VAL  52          2HG2      VAL  52  12.325  -2.165   6.782
  411   HG23  VAL  52          3HG2      VAL  52  11.737  -1.284   8.194
  412    H    SER  53           H        SER  53  14.137  -2.437   5.490
  413    HA   SER  53           HA       SER  53  12.928  -3.063   2.859
  414    HB2  SER  53          2HB       SER  53  14.265  -5.262   3.153
  415    HB3  SER  53          1HB       SER  53  15.207  -3.803   2.859
  416    HG   SER  53           HG       SER  53  14.780  -5.127   5.324
  417    H    ILE  54           H        ILE  54  11.675  -5.027   2.703
  418    HA   ILE  54           HA       ILE  54  10.365  -5.984   5.171
  419    HB   ILE  54           HB       ILE  54   8.880  -4.339   4.002
  420   HG12  ILE  54          2HG1      ILE  54   7.795  -7.194   3.890
  421   HG13  ILE  54          1HG1      ILE  54   7.880  -6.203   5.337
  422   HG21  ILE  54          1HG2      ILE  54   9.632  -4.672   1.690
  423   HG22  ILE  54          2HG2      ILE  54   7.885  -4.868   1.809
  424   HG23  ILE  54          3HG2      ILE  54   8.917  -6.289   1.669
  425   HD11  ILE  54          1HD1      ILE  54   5.635  -6.263   4.462
  426   HD12  ILE  54          2HD1      ILE  54   6.186  -5.650   2.904
  427   HD13  ILE  54          3HD1      ILE  54   6.282  -4.626   4.341
  428    H    GLY  55           H        GLY  55   9.739  -8.208   5.102
  429    HA2  GLY  55          2HA       GLY  55  10.951  -9.898   3.077
  430    HA3  GLY  55          1HA       GLY  55   9.975 -10.423   4.444
  431    H    MET  56           H        MET  56   9.773 -11.439   1.814
  432    HA   MET  56           HA       MET  56   7.804 -10.156   0.216
  433    HB2  MET  56          2HB       MET  56   9.704 -12.174  -0.146
  434    HB3  MET  56          1HB       MET  56   8.200 -13.060  -0.270
  435    HG2  MET  56          2HG       MET  56   8.680 -10.585  -1.915
  436    HG3  MET  56          1HG       MET  56   9.329 -12.143  -2.406
  437    HE1  MET  56          1HE       MET  56   6.320  -9.794  -2.866
  438    HE2  MET  56          2HE       MET  56   5.888 -10.438  -1.281
  439    HE3  MET  56          3HE       MET  56   4.919 -10.858  -2.691
  440    H    GLN  57           H        GLN  57   7.624 -12.562   2.755
  441    HA   GLN  57           HA       GLN  57   4.935 -13.466   2.215
  442    HB2  GLN  57          2HB       GLN  57   6.706 -13.812   4.678
  443    HB3  GLN  57          1HB       GLN  57   5.135 -14.578   4.479
  444    HG2  GLN  57          2HG       GLN  57   6.778 -16.229   3.970
  445    HG3  GLN  57          1HG       GLN  57   6.062 -15.743   2.436
  446   HE21  GLN  57          1HE2      GLN  57   8.952 -15.553   4.435
  447   HE22  GLN  57          2HE2      GLN  57  10.026 -15.102   3.157
  448    H    GLU  58           H        GLU  58   6.405 -10.886   3.997
  449    HA   GLU  58           HA       GLU  58   4.132 -10.192   5.650
  450    HB2  GLU  58          2HB       GLU  58   6.797  -8.825   5.091
  451    HB3  GLU  58          1HB       GLU  58   5.594  -8.189   6.209
  452    HG2  GLU  58          2HG       GLU  58   7.401  -9.373   7.375
  453    HG3  GLU  58          1HG       GLU  58   5.838 -10.128   7.642
  454    H    ILE  59           H        ILE  59   5.426  -9.327   2.511
  455    HA   ILE  59           HA       ILE  59   3.733  -7.093   1.959
  456    HB   ILE  59           HB       ILE  59   4.875  -9.131  -0.008
  457   HG12  ILE  59          2HG1      ILE  59   6.008  -6.440   0.863
  458   HG13  ILE  59          1HG1      ILE  59   6.659  -8.018   1.289
  459   HG21  ILE  59          1HG2      ILE  59   3.780  -6.343  -0.571
  460   HG22  ILE  59          2HG2      ILE  59   3.000  -7.864  -1.004
  461   HG23  ILE  59          3HG2      ILE  59   4.531  -7.416  -1.760
  462   HD11  ILE  59          1HD1      ILE  59   7.963  -6.971  -0.451
  463   HD12  ILE  59          2HD1      ILE  59   6.536  -6.838  -1.479
  464   HD13  ILE  59          3HD1      ILE  59   7.184  -8.430  -1.064
  465    H    HIS  60           H        HIS  60   1.641  -7.512   2.601
  466    HA   HIS  60           HA       HIS  60   0.098  -9.485   1.075
  467    HB2  HIS  60          2HB       HIS  60   0.526  -9.551   4.029
  468    HB3  HIS  60          1HB       HIS  60  -1.172  -9.610   3.570
  469    HD1  HIS  60           HD1      HIS  60   2.024 -11.447   2.517
  470    HD2  HIS  60           HD2      HIS  60  -2.034 -12.104   3.160
  471    HE1  HIS  60           HE1      HIS  60   1.682 -13.909   2.158
  472    HE2  HIS  60           HE2      HIS  60  -0.806 -14.249   2.375
  473    HA   PRO  61           HA       PRO  61  -2.671  -5.951   0.674
  474    HB2  PRO  61          2HB       PRO  61  -4.957  -7.332  -0.084
  475    HB3  PRO  61          1HB       PRO  61  -3.615  -7.002  -1.198
  476    HG2  PRO  61          2HG       PRO  61  -4.166  -9.498   0.380
  477    HG3  PRO  61          1HG       PRO  61  -3.732  -9.328  -1.336
  478    HD2  PRO  61          2HD       PRO  61  -1.869  -9.992   0.480
  479    HD3  PRO  61          1HD       PRO  61  -1.466  -8.884  -0.848
  480    H    ALA  62           H        ALA  62  -3.294  -8.796   2.635
  481    HA   ALA  62           HA       ALA  62  -5.397  -8.035   4.274
  482    HB1  ALA  62          1HB       ALA  62  -2.935  -9.629   5.049
  483    HB2  ALA  62          2HB       ALA  62  -4.391 -10.286   4.304
  484    HB3  ALA  62          3HB       ALA  62  -4.468  -9.609   5.931
  485    H    ASN  63           H        ASN  63  -1.987  -7.186   4.418
  486    HA   ASN  63           HA       ASN  63  -2.249  -5.547   6.823
  487    HB2  ASN  63          2HB       ASN  63   0.150  -6.014   4.991
  488    HB3  ASN  63          1HB       ASN  63   0.194  -5.157   6.529
  489   HD21  ASN  63          1HD2      ASN  63   1.722  -7.476   5.773
  490   HD22  ASN  63          2HD2      ASN  63   1.317  -8.737   6.881
  491    H    PHE  64           H        PHE  64  -2.468  -5.147   3.395
  492    HA   PHE  64           HA       PHE  64  -2.140  -2.199   3.571
  493    HB2  PHE  64          2HB       PHE  64  -1.977  -4.145   1.227
  494    HB3  PHE  64          1HB       PHE  64  -2.098  -2.402   0.994
  495    HD1  PHE  64           HD1      PHE  64  -0.014  -4.984   2.699
  496    HD2  PHE  64           HD2      PHE  64  -0.134  -1.092   0.965
  497    HE1  PHE  64           HE1      PHE  64   2.403  -4.820   2.940
  498    HE2  PHE  64           HE2      PHE  64   2.298  -0.927   1.225
  499    HZ   PHE  64           HZ       PHE  64   3.570  -2.793   2.219
  500    H    ALA  65           H        ALA  65  -4.526  -3.835   4.409
  501    HA   ALA  65           HA       ALA  65  -6.689  -3.591   2.641
  502    HB1  ALA  65          1HB       ALA  65  -6.746  -3.557   5.680
  503    HB2  ALA  65          2HB       ALA  65  -6.712  -4.997   4.661
  504    HB3  ALA  65          3HB       ALA  65  -8.110  -3.921   4.617
  505    H    THR  66           H        THR  66  -5.313  -1.295   4.936
  506    HA   THR  66           HA       THR  66  -6.538   0.988   3.586
  507    HB   THR  66           HB       THR  66  -7.066   2.117   5.812
  508    HG1  THR  66           HG1      THR  66  -7.091  -0.475   6.966
  509   HG21  THR  66          1HG2      THR  66  -8.745  -0.361   5.295
  510   HG22  THR  66          2HG2      THR  66  -8.948   1.206   4.504
  511   HG23  THR  66          3HG2      THR  66  -9.237   1.046   6.237
  512    H    VAL  67           H        VAL  67  -5.461   3.096   4.644
  513    HA   VAL  67           HA       VAL  67  -2.646   2.823   4.782
  514    HB   VAL  67           HB       VAL  67  -3.765   5.006   4.245
  515   HG11  VAL  67          1HG1      VAL  67  -5.512   5.055   5.982
  516   HG12  VAL  67          2HG1      VAL  67  -4.523   6.513   6.038
  517   HG13  VAL  67          3HG1      VAL  67  -4.280   5.240   7.236
  518   HG21  VAL  67          1HG2      VAL  67  -1.366   4.925   4.781
  519   HG22  VAL  67          2HG2      VAL  67  -1.725   5.137   6.497
  520   HG23  VAL  67          3HG2      VAL  67  -2.082   6.433   5.354
  521    H    GLN  68           H        GLN  68  -5.157   2.712   7.249
  522    HA   GLN  68           HA       GLN  68  -3.614   3.153   9.562
  523    HB2  GLN  68          2HB       GLN  68  -6.094   1.385   9.301
  524    HB3  GLN  68          1HB       GLN  68  -5.481   2.081  10.796
  525    HG2  GLN  68          2HG       GLN  68  -6.614   3.630   8.450
  526    HG3  GLN  68          1HG       GLN  68  -7.451   3.298   9.967
  527   HE21  GLN  68          1HE2      GLN  68  -6.716   4.380  11.883
  528   HE22  GLN  68          2HE2      GLN  68  -5.809   5.848  11.772
  529    H    SER  69           H        SER  69  -4.528   0.176   7.905
  530    HA   SER  69           HA       SER  69  -3.204  -1.643   9.606
  531    HB2  SER  69          2HB       SER  69  -3.914  -2.011   6.667
  532    HB3  SER  69          1HB       SER  69  -3.693  -3.283   7.870
  533    HG   SER  69           HG       SER  69  -5.672  -3.000   8.487
  534    H    MET  70           H        MET  70  -2.191   0.007   6.582
  535    HA   MET  70           HA       MET  70   0.181  -1.627   6.265
  536    HB2  MET  70          2HB       MET  70   0.461  -0.636   4.146
  537    HB3  MET  70          1HB       MET  70  -1.288  -0.678   4.361
  538    HG2  MET  70          2HG       MET  70  -1.294   1.701   4.903
  539    HG3  MET  70          1HG       MET  70   0.461   1.760   4.780
  540    HE1  MET  70          1HE       MET  70  -2.352   1.063   1.163
  541    HE2  MET  70          2HE       MET  70  -2.918   1.293   2.820
  542    HE3  MET  70          3HE       MET  70  -2.085  -0.194   2.369
  543    H    VAL  71           H        VAL  71  -0.539   1.543   7.569
  544    HA   VAL  71           HA       VAL  71   2.138   2.593   7.508
  545    HB   VAL  71           HB       VAL  71  -0.275   3.782   7.870
  546   HG11  VAL  71          1HG1      VAL  71  -0.735   2.920  10.093
  547   HG12  VAL  71          2HG1      VAL  71  -0.634   4.682  10.097
  548   HG13  VAL  71          3HG1      VAL  71   0.713   3.722  10.709
  549   HG21  VAL  71          1HG2      VAL  71   2.330   4.935   8.902
  550   HG22  VAL  71          2HG2      VAL  71   0.903   5.880   8.470
  551   HG23  VAL  71          3HG2      VAL  71   1.766   4.969   7.229
  552    H    ALA  72           H        ALA  72   0.146   0.844   9.713
  553    HA   ALA  72           HA       ALA  72   1.824   1.034  12.030
  554    HB1  ALA  72          1HB       ALA  72  -0.649   0.971  12.104
  555    HB2  ALA  72          2HB       ALA  72   0.074  -0.333  13.060
  556    HB3  ALA  72          3HB       ALA  72  -0.615  -0.676  11.469
  557    H    LEU  73           H        LEU  73   1.236  -1.265   9.420
  558    HA   LEU  73           HA       LEU  73   2.574  -3.555  10.299
  559    HB2  LEU  73          2HB       LEU  73   1.329  -3.845   8.333
  560    HB3  LEU  73          1HB       LEU  73   1.806  -2.291   7.680
  561    HG   LEU  73           HG       LEU  73   4.119  -3.337   7.306
  562   HD11  LEU  73          1HD1      LEU  73   4.207  -5.773   6.989
  563   HD12  LEU  73          2HD1      LEU  73   2.586  -5.919   7.677
  564   HD13  LEU  73          3HD1      LEU  73   3.918  -5.317   8.668
  565   HD21  LEU  73          1HD2      LEU  73   1.798  -4.325   5.637
  566   HD22  LEU  73          2HD2      LEU  73   3.483  -4.203   5.122
  567   HD23  LEU  73          3HD2      LEU  73   2.576  -2.746   5.519
  568    H    VAL  74           H        VAL  74   3.708  -0.686   8.504
  569    HA   VAL  74           HA       VAL  74   6.408  -1.373   8.184
  570    HB   VAL  74           HB       VAL  74   5.210   1.433   8.493
  571   HG11  VAL  74          1HG1      VAL  74   7.234   2.274   7.313
  572   HG12  VAL  74          2HG1      VAL  74   7.928   0.652   7.348
  573   HG13  VAL  74          3HG1      VAL  74   7.647   1.524   8.856
  574   HG21  VAL  74          1HG2      VAL  74   4.209   0.174   6.615
  575   HG22  VAL  74          2HG2      VAL  74   5.811  -0.130   5.949
  576   HG23  VAL  74          3HG2      VAL  74   5.187   1.518   6.022
  577    H    GLN  75           H        GLN  75   4.771   0.354  10.839
  578    HA   GLN  75           HA       GLN  75   7.149   1.035  12.283
  579    HB2  GLN  75          2HB       GLN  75   4.299   0.888  13.349
  580    HB3  GLN  75          1HB       GLN  75   5.636   1.775  14.069
  581    HG2  GLN  75          2HG       GLN  75   4.225   2.389  11.465
  582    HG3  GLN  75          1HG       GLN  75   4.167   3.327  12.951
  583   HE21  GLN  75          1HE2      GLN  75   4.966   4.079  10.210
  584   HE22  GLN  75          2HE2      GLN  75   6.557   4.744  10.354
  585    H    ARG  76           H        ARG  76   5.087  -1.793  12.236
  586    HA   ARG  76           HA       ARG  76   6.018  -2.975  14.684
  587    HB2  ARG  76          2HB       ARG  76   4.551  -4.146  12.288
  588    HB3  ARG  76          1HB       ARG  76   4.989  -5.105  13.701
  589    HG2  ARG  76          2HG       ARG  76   3.610  -3.660  15.135
  590    HG3  ARG  76          1HG       ARG  76   3.189  -2.658  13.748
  591    HD2  ARG  76          2HD       ARG  76   1.368  -4.203  14.309
  592    HD3  ARG  76          1HD       ARG  76   2.030  -4.584  12.717
  593    HE   ARG  76           HE       ARG  76   3.418  -6.293  14.133
  594   HH11  ARG  76          1HH1      ARG  76   0.008  -5.566  14.604
  595   HH12  ARG  76          2HH1      ARG  76  -0.348  -7.144  15.229
  596   HH21  ARG  76          1HH2      ARG  76   2.911  -8.346  14.951
  597   HH22  ARG  76          2HH2      ARG  76   1.277  -8.701  15.425
  598    H    LEU  77           H        LEU  77   6.687  -3.640  11.205
  599    HA   LEU  77           HA       LEU  77   8.667  -5.622  11.735
  600    HB2  LEU  77          2HB       LEU  77   9.188  -5.506   9.290
  601    HB3  LEU  77          1HB       LEU  77   7.505  -5.780   9.670
  602    HG   LEU  77           HG       LEU  77   7.151  -3.269   9.213
  603   HD11  LEU  77          1HD1      LEU  77   8.706  -2.181   7.635
  604   HD12  LEU  77          2HD1      LEU  77   9.869  -3.487   7.885
  605   HD13  LEU  77          3HD1      LEU  77   9.418  -2.428   9.231
  606   HD21  LEU  77          1HD2      LEU  77   7.882  -5.093   6.916
  607   HD22  LEU  77          2HD2      LEU  77   6.864  -3.655   6.825
  608   HD23  LEU  77          3HD2      LEU  77   6.335  -5.045   7.766
  609    H    LYS  78           H        LYS  78   8.864  -2.159  11.505
  610    HA   LYS  78           HA       LYS  78  11.556  -1.623  11.130
  611    HB2  LYS  78          2HB       LYS  78   9.415  -0.342  12.836
  612    HB3  LYS  78          1HB       LYS  78  11.055   0.249  12.954
  613    HG2  LYS  78          2HG       LYS  78   9.346   0.241  10.464
  614    HG3  LYS  78          1HG       LYS  78   9.739   1.637  11.467
  615    HD2  LYS  78          2HD       LYS  78  12.225   1.051  10.931
  616    HD3  LYS  78          1HD       LYS  78  11.556   0.057   9.636
  617    HE2  LYS  78          2HE       LYS  78  12.158   2.225   8.748
  618    HE3  LYS  78          1HE       LYS  78  10.400   2.067   8.743
  619    HZ1  LYS  78          1HZ       LYS  78  11.996   3.527  10.781
  620    HZ2  LYS  78          2HZ       LYS  78  10.310   3.395  10.756
  621    HZ3  LYS  78          3HZ       LYS  78  11.109   4.233   9.528
  622    H    ALA  79           H        ALA  79   9.889  -2.630  14.075
  623    HA   ALA  79           HA       ALA  79  12.200  -2.593  15.779
  624    HB1  ALA  79          1HB       ALA  79   9.945  -2.174  16.669
  625    HB2  ALA  79          2HB       ALA  79  10.692  -3.558  17.469
  626    HB3  ALA  79          3HB       ALA  79   9.458  -3.813  16.231
  627    H    HIS  80           H        HIS  80  10.796  -4.942  13.605
  628    HA   HIS  80           HA       HIS  80  11.892  -7.315  14.819
  629    HB2  HIS  80          2HB       HIS  80  10.813  -6.798  12.004
  630    HB3  HIS  80          1HB       HIS  80  11.413  -8.372  12.530
  631    HD1  HIS  80           HD1      HIS  80   8.977  -5.872  13.999
  632    HD2  HIS  80           HD2      HIS  80   9.296  -9.918  13.239
  633    HE1  HIS  80           HE1      HIS  80   6.846  -6.865  14.814
  634    HE2  HIS  80           HE2      HIS  80   7.146  -9.345  14.531
  635    HA   PRO  81           HA       PRO  81  16.057  -6.180  13.411
  636    HB2  PRO  81          2HB       PRO  81  16.946  -8.656  14.801
  637    HB3  PRO  81          1HB       PRO  81  17.328  -6.965  15.181
  638    HG2  PRO  81          2HG       PRO  81  15.736  -8.417  16.783
  639    HG3  PRO  81          1HG       PRO  81  15.446  -6.682  16.507
  640    HD2  PRO  81          2HD       PRO  81  14.077  -9.040  15.180
  641    HD3  PRO  81          1HD       PRO  81  13.353  -7.590  15.924
  642    H    GLU  82           H        GLU  82  14.290  -8.986  12.665
  643    HA   GLU  82           HA       GLU  82  16.018 -10.541  11.089
  644    HB2  GLU  82          2HB       GLU  82  13.818 -11.332  11.911
  645    HB3  GLU  82          1HB       GLU  82  13.003 -10.141  10.909
  646    HG2  GLU  82          2HG       GLU  82  12.755 -12.243   9.812
  647    HG3  GLU  82          1HG       GLU  82  13.951 -11.341   8.881
  648    H    GLN  83           H        GLN  83  13.707  -7.983  10.169
  649    HA   GLN  83           HA       GLN  83  14.901  -7.814   7.448
  650    HB2  GLN  83          2HB       GLN  83  12.606  -7.540   6.537
  651    HB3  GLN  83          1HB       GLN  83  12.847  -9.112   7.290
  652    HG2  GLN  83          2HG       GLN  83  11.634  -8.344   9.303
  653    HG3  GLN  83          1HG       GLN  83  11.397  -6.764   8.555
  654   HE21  GLN  83          1HE2      GLN  83  11.132  -9.865   6.846
  655   HE22  GLN  83          2HE2      GLN  83   9.429  -9.762   6.567
  656    H    GLY  84           H        GLY  84  13.804  -6.165  10.228
  657    HA2  GLY  84          2HA       GLY  84  13.444  -3.566   8.872
  658    HA3  GLY  84          1HA       GLY  84  12.964  -3.978  10.513
  659    H    GLY  85           H        GLY  85  14.013  -2.135  11.322
  660    HA2  GLY  85          2HA       GLY  85  15.716  -0.893  12.197
  661    HA3  GLY  85          1HA       GLY  85  16.771  -2.284  11.986
  662    H    ALA  86           H        ALA  86  18.019  -2.459  10.128
  663    HA   ALA  86           HA       ALA  86  17.766  -0.702   7.863
  664    HB1  ALA  86          1HB       ALA  86  20.192  -0.349   9.669
  665    HB2  ALA  86          2HB       ALA  86  18.911   0.841   9.431
  666    HB3  ALA  86          3HB       ALA  86  19.969   0.404   8.086
  667    H    ALA  87           H        ALA  87  19.930  -1.017   6.480
  668    HA   ALA  87           HA       ALA  87  21.116  -3.692   6.782
  669    HB1  ALA  87          1HB       ALA  87  20.760  -4.205   4.385
  670    HB2  ALA  87          2HB       ALA  87  19.821  -2.721   4.202
  671    HB3  ALA  87          3HB       ALA  87  19.223  -4.022   5.233
  672    H    LEU  88           H        LEU  88  23.194  -3.129   7.041
  673    HA   LEU  88           HA       LEU  88  24.395  -0.779   5.918
  674    HB2  LEU  88          2HB       LEU  88  25.487  -3.101   7.538
  675    HB3  LEU  88          1HB       LEU  88  26.555  -1.878   6.878
  676    HG   LEU  88           HG       LEU  88  26.129  -1.383   9.203
  677   HD11  LEU  88          1HD1      LEU  88  26.382   0.539   7.737
  678   HD12  LEU  88          2HD1      LEU  88  25.324   0.903   9.095
  679   HD13  LEU  88          3HD1      LEU  88  24.633   0.615   7.495
  680   HD21  LEU  88          1HD2      LEU  88  24.009  -2.549   9.534
  681   HD22  LEU  88          2HD2      LEU  88  23.157  -1.318   8.598
  682   HD23  LEU  88          3HD2      LEU  88  23.919  -0.896  10.135
  683    H    GLU  89           H        GLU  89  24.529  -0.774   3.778
  684    HA   GLU  89           HA       GLU  89  25.162  -3.035   2.124
  685    HB2  GLU  89          2HB       GLU  89  25.001  -0.066   1.432
  686    HB3  GLU  89          1HB       GLU  89  25.026  -1.389   0.272
  687    HG2  GLU  89          2HG       GLU  89  22.850  -2.186   1.083
  688    HG3  GLU  89          1HG       GLU  89  22.830  -0.923   2.318
  689   H282  PNS 101          3H28      PNS 136   0.158  -9.875  -4.038
  690   H281  PNS 101          2H28      PNS 136   0.162 -11.302  -5.058
  691   H303  PNS 101          3H51      PNS 136   0.443 -11.221  -1.363
  692   H302  PNS 101          2H51      PNS 136   2.202 -11.261  -1.299
  693   H301  PNS 101          1H51      PNS 136   1.380  -9.816  -1.899
  694   H313  PNS 101          3H52      PNS 136   3.526 -11.352  -3.467
  695   H312  PNS 101          2H52      PNS 136   2.673  -9.917  -4.023
  696   H311  PNS 101          1H52      PNS 136   2.675 -11.386  -5.015
  697    H32  PNS 101           H32      PNS 136   0.450 -13.323  -2.712
  698    H33  PNS 101           H33      PNS 136   0.445 -13.338  -4.967
  699    H36  PNS 101           H36      PNS 136   3.520 -13.970  -4.230
  700   H372  PNS 101          3H37      PNS 136   5.543 -13.899  -2.522
  701   H371  PNS 101          2H37      PNS 136   4.605 -15.192  -1.783
  702   H382  PNS 101          3H38      PNS 136   6.348 -16.141  -3.175
  703   H381  PNS 101          2H38      PNS 136   4.774 -16.503  -3.866
  704    H41  PNS 101           H41      PNS 136   6.345 -13.350  -4.288
  705   H422  PNS 101          3H42      PNS 136   6.195 -13.420  -7.140
  706   H421  PNS 101          2H42      PNS 136   7.850 -13.672  -6.578
  707   H431  PNS 101          2H43      PNS 136   7.728 -11.521  -5.326
  708   H432  PNS 101          3H43      PNS 136   7.447 -11.292  -7.061
  709    H44  PNS 101           H44      PNS 136   4.658 -11.176  -6.812
  Start of MODEL    6
    1    H1   MET   1          1H        MET   1   3.858  15.638  -0.052
    2    H2   MET   1          2H        MET   1   3.235  16.679  -1.231
    3    H3   MET   1          3H        MET   1   4.442  15.574  -1.636
    4    HA   MET   1           HA       MET   1   1.715  14.876  -0.748
    5    HB2  MET   1          2HB       MET   1   2.980  14.776  -3.526
    6    HB3  MET   1          1HB       MET   1   1.438  14.027  -3.125
    7    HG2  MET   1          2HG       MET   1   0.483  16.226  -2.613
    8    HG3  MET   1          1HG       MET   1   2.036  16.992  -2.965
    9    HE1  MET   1          1HE       MET   1   0.977  18.649  -4.697
   10    HE2  MET   1          2HE       MET   1  -0.635  17.992  -4.407
   11    HE3  MET   1          3HE       MET   1  -0.035  18.162  -6.056
   12    H    LEU   2           H        LEU   2   2.010  13.099   0.490
   13    HA   LEU   2           HA       LEU   2   3.811  10.936  -0.433
   14    HB2  LEU   2          2HB       LEU   2   4.138  11.858   1.899
   15    HB3  LEU   2          1HB       LEU   2   2.517  11.320   2.302
   16    HG   LEU   2           HG       LEU   2   3.231   8.945   1.847
   17   HD11  LEU   2          1HD1      LEU   2   5.623   8.409   1.644
   18   HD12  LEU   2          2HD1      LEU   2   6.011  10.129   1.568
   19   HD13  LEU   2          3HD1      LEU   2   5.060   9.380   0.283
   20   HD21  LEU   2          1HD2      LEU   2   3.219   9.797   4.148
   21   HD22  LEU   2          2HD2      LEU   2   4.879  10.368   3.963
   22   HD23  LEU   2          3HD2      LEU   2   4.529   8.638   3.910
   23    H    GLU   3           H        GLU   3   0.605  11.570   1.003
   24    HA   GLU   3           HA       GLU   3  -0.521   9.006   0.430
   25    HB2  GLU   3          2HB       GLU   3  -2.074  11.559   1.030
   26    HB3  GLU   3          1HB       GLU   3  -2.615   9.899   1.259
   27    HG2  GLU   3          2HG       GLU   3  -0.458  11.330   2.823
   28    HG3  GLU   3          1HG       GLU   3  -2.059  10.898   3.400
   29    H    SER   4           H        SER   4  -0.879  12.222  -1.036
   30    HA   SER   4           HA       SER   4  -2.622  11.555  -3.144
   31    HB2  SER   4          2HB       SER   4  -0.478  13.728  -3.082
   32    HB3  SER   4          1HB       SER   4  -1.860  13.669  -4.175
   33    HG   SER   4           HG       SER   4  -3.159  13.681  -2.173
   34    H    LYS   5           H        LYS   5   0.827  11.109  -2.753
   35    HA   LYS   5           HA       LYS   5   1.445  10.747  -5.541
   36    HB2  LYS   5          2HB       LYS   5   3.081  11.716  -3.980
   37    HB3  LYS   5          1HB       LYS   5   3.089  10.236  -3.031
   38    HG2  LYS   5          2HG       LYS   5   4.174   9.011  -4.813
   39    HG3  LYS   5          1HG       LYS   5   3.968  10.357  -5.936
   40    HD2  LYS   5          2HD       LYS   5   6.296  10.170  -5.084
   41    HD3  LYS   5          1HD       LYS   5   5.551  11.717  -4.675
   42    HE2  LYS   5          2HE       LYS   5   5.156  10.940  -2.375
   43    HE3  LYS   5          1HE       LYS   5   5.795   9.347  -2.780
   44    HZ1  LYS   5          1HZ       LYS   5   7.318  11.879  -2.842
   45    HZ2  LYS   5          2HZ       LYS   5   7.931  10.341  -3.195
   46    HZ3  LYS   5          3HZ       LYS   5   7.401  10.702  -1.631
   47    H    LEU   6           H        LEU   6   0.981   8.564  -2.698
   48    HA   LEU   6           HA       LEU   6   1.680   6.177  -4.103
   49    HB2  LEU   6          2HB       LEU   6   0.795   4.913  -2.192
   50    HB3  LEU   6          1HB       LEU   6   1.840   6.217  -1.684
   51    HG   LEU   6           HG       LEU   6  -0.490   7.494  -1.333
   52   HD11  LEU   6          1HD1      LEU   6  -1.961   5.751  -2.152
   53   HD12  LEU   6          2HD1      LEU   6  -2.265   6.057  -0.445
   54   HD13  LEU   6          3HD1      LEU   6  -1.359   4.621  -0.933
   55   HD21  LEU   6          1HD2      LEU   6   0.561   5.524   0.723
   56   HD22  LEU   6          2HD2      LEU   6  -0.414   6.969   1.039
   57   HD23  LEU   6          3HD2      LEU   6   1.221   7.132   0.401
   58    H    ILE   7           H        ILE   7  -1.347   7.927  -3.666
   59    HA   ILE   7           HA       ILE   7  -3.076   6.056  -4.954
   60    HB   ILE   7           HB       ILE   7  -3.314   9.087  -4.774
   61   HG12  ILE   7          2HG1      ILE   7  -4.747   7.043  -3.023
   62   HG13  ILE   7          1HG1      ILE   7  -3.227   7.795  -2.552
   63   HG21  ILE   7          1HG2      ILE   7  -4.735   8.193  -6.591
   64   HG22  ILE   7          2HG2      ILE   7  -5.727   8.786  -5.258
   65   HG23  ILE   7          3HG2      ILE   7  -5.477   7.052  -5.464
   66   HD11  ILE   7          1HD1      ILE   7  -5.097   8.901  -1.502
   67   HD12  ILE   7          2HD1      ILE   7  -5.830   9.231  -3.069
   68   HD13  ILE   7          3HD1      ILE   7  -4.303  10.002  -2.628
   69    H    ASN   8           H        ASN   8  -1.514   9.055  -6.141
   70    HA   ASN   8           HA       ASN   8  -2.512   9.016  -8.754
   71    HB2  ASN   8          2HB       ASN   8  -1.459  10.976  -7.532
   72    HB3  ASN   8          1HB       ASN   8   0.120  10.281  -7.873
   73   HD21  ASN   8          1HD2      ASN   8   0.911  10.358 -10.006
   74   HD22  ASN   8          2HD2      ASN   8   0.196  11.363 -11.217
   75    H    HIS   9           H        HIS   9   0.191   7.336  -7.388
   76    HA   HIS   9           HA       HIS   9   1.780   6.811  -9.633
   77    HB2  HIS   9          2HB       HIS   9   2.430   6.465  -7.239
   78    HB3  HIS   9          1HB       HIS   9   1.356   5.078  -7.157
   79    HD1  HIS   9           HD1      HIS   9   4.785   5.882  -7.594
   80    HD2  HIS   9           HD2      HIS   9   2.287   3.021  -9.252
   81    HE1  HIS   9           HE1      HIS   9   6.300   4.089  -8.454
   82    HE2  HIS   9           HE2      HIS   9   4.746   2.257  -9.207
   83    H    ILE  10           H        ILE  10  -0.470   4.517  -8.032
   84    HA   ILE  10           HA       ILE  10  -0.535   2.839 -10.403
   85    HB   ILE  10           HB       ILE  10  -2.122   1.399  -8.890
   86   HG12  ILE  10          2HG1      ILE  10  -1.619   1.618  -6.422
   87   HG13  ILE  10          1HG1      ILE  10  -0.811   3.140  -6.737
   88   HG21  ILE  10          1HG2      ILE  10   0.848   1.648  -8.260
   89   HG22  ILE  10          2HG2      ILE  10   0.126   0.700  -9.560
   90   HG23  ILE  10          3HG2      ILE  10  -0.163   0.245  -7.881
   91   HD11  ILE  10          1HD1      ILE  10  -2.999   3.490  -5.817
   92   HD12  ILE  10          2HD1      ILE  10  -3.734   2.544  -7.113
   93   HD13  ILE  10          3HD1      ILE  10  -2.944   4.079  -7.481
   94    H    ALA  11           H        ALA  11  -2.554   5.294  -9.019
   95    HA   ALA  11           HA       ALA  11  -5.097   4.746  -9.934
   96    HB1  ALA  11          1HB       ALA  11  -4.543   6.734  -8.596
   97    HB2  ALA  11          2HB       ALA  11  -5.465   7.188 -10.032
   98    HB3  ALA  11          3HB       ALA  11  -3.718   7.457  -9.979
   99    H    THR  12           H        THR  12  -2.298   5.581 -11.846
  100    HA   THR  12           HA       THR  12  -3.608   6.402 -14.236
  101    HB   THR  12           HB       THR  12  -0.836   5.188 -13.921
  102    HG1  THR  12           HG1      THR  12  -0.198   7.109 -13.235
  103   HG21  THR  12          1HG2      THR  12  -0.290   6.464 -15.974
  104   HG22  THR  12          2HG2      THR  12  -1.971   6.985 -16.105
  105   HG23  THR  12          3HG2      THR  12  -1.558   5.277 -16.284
  106    H    GLN  13           H        GLN  13  -2.416   3.285 -13.062
  107    HA   GLN  13           HA       GLN  13  -3.205   1.873 -15.530
  108    HB2  GLN  13          2HB       GLN  13  -1.916  -0.041 -14.597
  109    HB3  GLN  13          1HB       GLN  13  -0.941   1.418 -14.735
  110    HG2  GLN  13          2HG       GLN  13  -1.145   1.825 -12.326
  111    HG3  GLN  13          1HG       GLN  13  -2.203   0.424 -12.160
  112   HE21  GLN  13          1HE2      GLN  13   1.087   1.485 -12.729
  113   HE22  GLN  13          2HE2      GLN  13   1.838  -0.034 -12.394
  114    H    PHE  14           H        PHE  14  -4.442   2.513 -12.438
  115    HA   PHE  14           HA       PHE  14  -6.059   0.037 -12.354
  116    HB2  PHE  14          2HB       PHE  14  -4.661   1.610 -10.225
  117    HB3  PHE  14          1HB       PHE  14  -6.269   1.058  -9.776
  118    HD1  PHE  14           HD1      PHE  14  -5.607  -0.557  -8.102
  119    HD2  PHE  14           HD2      PHE  14  -3.937  -0.798 -12.040
  120    HE1  PHE  14           HE1      PHE  14  -4.758  -2.814  -7.633
  121    HE2  PHE  14           HE2      PHE  14  -3.092  -3.039 -11.544
  122    HZ   PHE  14           HZ       PHE  14  -3.505  -4.056  -9.342
  123    H    LEU  15           H        LEU  15  -6.287   3.494 -12.582
  124    HA   LEU  15           HA       LEU  15  -9.245   3.358 -12.253
  125    HB2  LEU  15          2HB       LEU  15  -7.505   5.668 -11.328
  126    HB3  LEU  15          1HB       LEU  15  -9.230   5.470 -11.071
  127    HG   LEU  15           HG       LEU  15  -7.068   3.759  -9.777
  128   HD11  LEU  15          1HD1      LEU  15  -8.724   5.958  -8.507
  129   HD12  LEU  15          2HD1      LEU  15  -7.047   6.115  -9.032
  130   HD13  LEU  15          3HD1      LEU  15  -7.456   4.981  -7.758
  131   HD21  LEU  15          1HD2      LEU  15  -9.162   2.510 -10.009
  132   HD22  LEU  15          2HD2      LEU  15 -10.074   3.826  -9.261
  133   HD23  LEU  15          3HD2      LEU  15  -8.882   2.925  -8.320
  134    H    ASP  16           H        ASP  16  -7.116   3.640 -14.576
  135    HA   ASP  16           HA       ASP  16  -7.109   4.511 -16.684
  136    HB2  ASP  16          2HB       ASP  16  -9.640   4.295 -16.515
  137    HB3  ASP  16          1HB       ASP  16  -9.700   5.933 -15.912
  138    H    GLY  17           H        GLY  17  -6.099   5.994 -14.187
  139    HA2  GLY  17          2HA       GLY  17  -4.651   7.855 -14.107
  140    HA3  GLY  17          1HA       GLY  17  -5.505   8.583 -15.458
  141    H    GLU  18           H        GLU  18  -7.960   7.552 -13.518
  142    HA   GLU  18           HA       GLU  18  -8.471  10.284 -12.615
  143    HB2  GLU  18          2HB       GLU  18 -10.727   9.691 -12.452
  144    HB3  GLU  18          1HB       GLU  18 -10.210   8.462 -13.606
  145    HG2  GLU  18          2HG       GLU  18 -10.013   6.835 -11.741
  146    HG3  GLU  18          1HG       GLU  18 -10.585   8.059 -10.616
  147    H    LYS  19           H        LYS  19  -8.402  10.986 -10.497
  148    HA   LYS  19           HA       LYS  19  -7.825   9.002  -8.357
  149    HB2  LYS  19          2HB       LYS  19  -7.396  12.014  -8.315
  150    HB3  LYS  19          1HB       LYS  19  -6.985  10.869  -7.034
  151    HG2  LYS  19          2HG       LYS  19  -5.532   9.696  -8.866
  152    HG3  LYS  19          1HG       LYS  19  -5.688  11.220  -9.737
  153    HD2  LYS  19          2HD       LYS  19  -4.676  11.073  -6.889
  154    HD3  LYS  19          1HD       LYS  19  -3.607  10.892  -8.274
  155    HE2  LYS  19          2HE       LYS  19  -3.432  13.176  -7.580
  156    HE3  LYS  19          1HE       LYS  19  -4.391  13.184  -9.056
  157    HZ1  LYS  19          1HZ       LYS  19  -6.373  13.427  -7.757
  158    HZ2  LYS  19          2HZ       LYS  19  -5.275  14.633  -7.317
  159    HZ3  LYS  19          3HZ       LYS  19  -5.505  13.296  -6.314
  160    H    ASP  20           H        ASP  20  -9.748   8.308  -7.866
  161    HA   ASP  20           HA       ASP  20 -11.462   9.690  -6.118
  162    HB2  ASP  20          2HB       ASP  20 -12.324  10.764  -8.222
  163    HB3  ASP  20          1HB       ASP  20 -12.667   9.177  -8.896
  164    H    GLY  21           H        GLY  21 -12.667   8.178  -5.001
  165    HA2  GLY  21          2HA       GLY  21 -13.638   6.148  -4.468
  166    HA3  GLY  21          1HA       GLY  21 -13.123   5.476  -6.005
  167    H    LEU  22           H        LEU  22 -10.326   6.297  -5.593
  168    HA   LEU  22           HA       LEU  22  -9.443   4.355  -3.548
  169    HB2  LEU  22          2HB       LEU  22  -8.878   3.905  -5.977
  170    HB3  LEU  22          1HB       LEU  22  -8.002   5.408  -6.016
  171    HG   LEU  22           HG       LEU  22  -6.250   4.582  -4.599
  172   HD11  LEU  22          1HD1      LEU  22  -7.579   3.377  -2.928
  173   HD12  LEU  22          2HD1      LEU  22  -6.263   2.371  -3.527
  174   HD13  LEU  22          3HD1      LEU  22  -7.911   2.093  -4.094
  175   HD21  LEU  22          1HD2      LEU  22  -7.002   2.383  -6.560
  176   HD22  LEU  22          2HD2      LEU  22  -5.403   2.642  -5.862
  177   HD23  LEU  22          3HD2      LEU  22  -6.097   3.852  -6.939
  178    H    ASP  23           H        ASP  23  -9.046   5.539  -1.761
  179    HA   ASP  23           HA       ASP  23  -7.019   7.672  -1.918
  180    HB2  ASP  23          2HB       ASP  23  -9.263   8.752  -1.527
  181    HB3  ASP  23          1HB       ASP  23  -9.483   7.752  -0.094
  182    H    SER  24           H        SER  24  -5.877   7.934   0.159
  183    HA   SER  24           HA       SER  24  -4.804   5.597   1.210
  184    HB2  SER  24          2HB       SER  24  -3.833   7.189   2.932
  185    HB3  SER  24          1HB       SER  24  -3.627   7.727   1.267
  186    HG   SER  24           HG       SER  24  -5.762   8.895   1.775
  187    H    GLN  25           H        GLN  25  -7.351   7.708   2.534
  188    HA   GLN  25           HA       GLN  25  -7.674   6.268   5.008
  189    HB2  GLN  25          2HB       GLN  25  -9.416   8.404   3.711
  190    HB3  GLN  25          1HB       GLN  25  -9.619   7.806   5.356
  191    HG2  GLN  25          2HG       GLN  25  -7.446   8.707   5.996
  192    HG3  GLN  25          1HG       GLN  25  -7.139   9.224   4.335
  193   HE21  GLN  25          1HE2      GLN  25  -6.930  11.395   4.914
  194   HE22  GLN  25          2HE2      GLN  25  -8.275  12.363   5.403
  195    H    THR  26           H        THR  26  -8.826   5.791   1.850
  196    HA   THR  26           HA       THR  26 -11.404   4.673   2.409
  197    HB   THR  26           HB       THR  26  -9.653   4.551  -0.084
  198    HG1  THR  26           HG1      THR  26 -11.357   6.458   0.992
  199   HG21  THR  26          1HG2      THR  26 -11.758   4.090  -1.309
  200   HG22  THR  26          2HG2      THR  26 -12.616   3.976   0.234
  201   HG23  THR  26          3HG2      THR  26 -11.369   2.797  -0.170
  202    HA   PRO  27           HA       PRO  27  -9.983   0.408   3.270
  203    HB2  PRO  27          2HB       PRO  27 -12.373  -0.896   2.907
  204    HB3  PRO  27          1HB       PRO  27 -12.011   0.053   4.365
  205    HG2  PRO  27          2HG       PRO  27 -13.611   0.854   1.954
  206    HG3  PRO  27          1HG       PRO  27 -13.969   1.121   3.673
  207    HD2  PRO  27          2HD       PRO  27 -12.915   3.068   2.109
  208    HD3  PRO  27          1HD       PRO  27 -12.523   2.943   3.831
  209    H    LEU  28           H        LEU  28  -8.677  -0.268   1.670
  210    HA   LEU  28           HA       LEU  28  -9.334  -0.270  -1.106
  211    HB2  LEU  28          2HB       LEU  28  -7.005  -1.780   0.144
  212    HB3  LEU  28          1HB       LEU  28  -7.114  -1.103  -1.471
  213    HG   LEU  28           HG       LEU  28  -6.676   0.384   1.142
  214   HD11  LEU  28          1HD1      LEU  28  -4.617   1.183   0.078
  215   HD12  LEU  28          2HD1      LEU  28  -4.978   0.224  -1.361
  216   HD13  LEU  28          3HD1      LEU  28  -4.671  -0.575   0.182
  217   HD21  LEU  28          1HD2      LEU  28  -8.271   1.743  -0.064
  218   HD22  LEU  28          2HD2      LEU  28  -7.329   1.628  -1.547
  219   HD23  LEU  28          3HD2      LEU  28  -6.688   2.514  -0.164
  220    H    PHE  29           H        PHE  29  -9.578  -2.611   1.450
  221    HA   PHE  29           HA       PHE  29  -9.856  -4.924  -0.278
  222    HB2  PHE  29          2HB       PHE  29  -9.279  -4.492   2.552
  223    HB3  PHE  29          1HB       PHE  29 -10.595  -5.651   2.405
  224    HD1  PHE  29           HD1      PHE  29  -7.431  -4.914   0.562
  225    HD2  PHE  29           HD2      PHE  29  -9.847  -7.888   2.460
  226    HE1  PHE  29           HE1      PHE  29  -5.818  -6.608  -0.037
  227    HE2  PHE  29           HE2      PHE  29  -8.201  -9.607   1.842
  228    HZ   PHE  29           HZ       PHE  29  -6.185  -8.975   0.578
  229    H    GLU  30           H        GLU  30 -11.938  -3.046   1.884
  230    HA   GLU  30           HA       GLU  30 -14.222  -4.717   1.626
  231    HB2  GLU  30          2HB       GLU  30 -14.033  -1.810   2.504
  232    HB3  GLU  30          1HB       GLU  30 -15.440  -2.849   2.734
  233    HG2  GLU  30          2HG       GLU  30 -14.079  -4.356   4.155
  234    HG3  GLU  30          1HG       GLU  30 -12.691  -3.295   3.950
  235    H    LEU  31           H        LEU  31 -12.962  -2.111  -0.296
  236    HA   LEU  31           HA       LEU  31 -15.340  -2.124  -2.049
  237    HB2  LEU  31          2HB       LEU  31 -12.961  -0.260  -2.196
  238    HB3  LEU  31          1HB       LEU  31 -14.508  -0.083  -3.007
  239    HG   LEU  31           HG       LEU  31 -13.887   0.317  -0.060
  240   HD11  LEU  31          1HD1      LEU  31 -14.668   2.574  -0.405
  241   HD12  LEU  31          2HD1      LEU  31 -15.085   2.217  -2.084
  242   HD13  LEU  31          3HD1      LEU  31 -13.397   2.184  -1.567
  243   HD21  LEU  31          1HD2      LEU  31 -16.304   0.780   0.323
  244   HD22  LEU  31          2HD2      LEU  31 -15.997  -0.900  -0.097
  245   HD23  LEU  31          3HD2      LEU  31 -16.664   0.200  -1.307
  246    H    ASN  32           H        ASN  32 -12.184  -3.404  -1.783
  247    HA   ASN  32           HA       ASN  32 -10.985  -4.873  -3.014
  248    HB2  ASN  32          2HB       ASN  32 -13.236  -5.971  -3.263
  249    HB3  ASN  32          1HB       ASN  32 -13.489  -5.065  -4.748
  250   HD21  ASN  32          1HD2      ASN  32 -13.735  -6.954  -5.959
  251   HD22  ASN  32          2HD2      ASN  32 -12.412  -7.997  -6.340
  252    H    ILE  33           H        ILE  33 -10.701  -2.102  -3.567
  253    HA   ILE  33           HA       ILE  33 -10.723  -1.476  -6.339
  254    HB   ILE  33           HB       ILE  33  -8.974  -0.143  -4.245
  255   HG12  ILE  33          2HG1      ILE  33 -11.860   0.641  -4.849
  256   HG13  ILE  33          1HG1      ILE  33 -11.430  -0.411  -3.505
  257   HG21  ILE  33          1HG2      ILE  33  -9.279   1.879  -5.669
  258   HG22  ILE  33          2HG2      ILE  33 -10.253   0.931  -6.794
  259   HG23  ILE  33          3HG2      ILE  33  -8.544   0.551  -6.574
  260   HD11  ILE  33          1HD1      ILE  33 -10.535   2.437  -3.890
  261   HD12  ILE  33          2HD1      ILE  33 -10.069   1.386  -2.550
  262   HD13  ILE  33          3HD1      ILE  33 -11.757   1.855  -2.759
  263    H    VAL  34           H        VAL  34  -8.016  -2.276  -4.123
  264    HA   VAL  34           HA       VAL  34  -6.138  -2.363  -6.370
  265    HB   VAL  34           HB       VAL  34  -5.564  -1.072  -4.285
  266   HG11  VAL  34          1HG1      VAL  34  -4.798  -2.220  -2.250
  267   HG12  VAL  34          2HG1      VAL  34  -5.254  -3.780  -2.940
  268   HG13  VAL  34          3HG1      VAL  34  -6.499  -2.581  -2.576
  269   HG21  VAL  34          1HG2      VAL  34  -3.599  -3.293  -4.962
  270   HG22  VAL  34          2HG2      VAL  34  -3.193  -1.769  -4.166
  271   HG23  VAL  34          3HG2      VAL  34  -3.780  -1.767  -5.830
  272    H    ASP  35           H        ASP  35  -5.072  -4.218  -7.028
  273    HA   ASP  35           HA       ASP  35  -5.997  -6.826  -6.041
  274    HB2  ASP  35          2HB       ASP  35  -5.970  -6.287  -8.514
  275    HB3  ASP  35          1HB       ASP  35  -4.226  -6.183  -8.450
  276    H    SER  36           H        SER  36  -4.215  -8.521  -5.956
  277    HA   SER  36           HA       SER  36  -2.402  -7.748  -3.876
  278    HB2  SER  36          2HB       SER  36  -1.965 -10.050  -3.576
  279    HB3  SER  36          1HB       SER  36  -3.653 -10.002  -4.102
  280    H    ALA  37           H        ALA  37  -2.179  -8.107  -7.308
  281    HA   ALA  37           HA       ALA  37   0.609  -8.514  -7.672
  282    HB1  ALA  37          1HB       ALA  37  -1.387  -7.205  -9.565
  283    HB2  ALA  37          2HB       ALA  37  -1.043  -8.931  -9.471
  284    HB3  ALA  37          3HB       ALA  37   0.213  -7.815 -10.009
  285    H    ALA  38           H        ALA  38  -1.372  -5.642  -7.201
  286    HA   ALA  38           HA       ALA  38   0.716  -3.739  -7.845
  287    HB1  ALA  38          1HB       ALA  38  -1.625  -3.135  -8.261
  288    HB2  ALA  38          2HB       ALA  38  -0.904  -2.017  -7.100
  289    HB3  ALA  38          3HB       ALA  38  -1.992  -3.291  -6.547
  290    H    ILE  39           H        ILE  39  -0.188  -5.563  -5.040
  291    HA   ILE  39           HA       ILE  39   0.681  -3.847  -2.967
  292    HB   ILE  39           HB       ILE  39   0.760  -6.898  -3.039
  293   HG12  ILE  39          2HG1      ILE  39  -1.499  -5.950  -3.476
  294   HG13  ILE  39          1HG1      ILE  39  -1.441  -6.817  -1.949
  295   HG21  ILE  39          1HG2      ILE  39   2.166  -6.072  -1.198
  296   HG22  ILE  39          2HG2      ILE  39   0.698  -6.798  -0.546
  297   HG23  ILE  39          3HG2      ILE  39   0.854  -5.041  -0.620
  298   HD11  ILE  39          1HD1      ILE  39  -1.352  -3.816  -2.260
  299   HD12  ILE  39          2HD1      ILE  39  -1.356  -4.718  -0.736
  300   HD13  ILE  39          3HD1      ILE  39  -2.756  -4.781  -1.805
  301    H    PHE  40           H        PHE  40   2.452  -6.051  -5.095
  302    HA   PHE  40           HA       PHE  40   5.028  -5.948  -3.985
  303    HB2  PHE  40          2HB       PHE  40   4.275  -7.469  -5.830
  304    HB3  PHE  40          1HB       PHE  40   4.235  -6.100  -6.930
  305    HD1  PHE  40           HD1      PHE  40   6.511  -8.214  -4.859
  306    HD2  PHE  40           HD2      PHE  40   6.251  -5.417  -8.085
  307    HE1  PHE  40           HE1      PHE  40   8.850  -8.669  -5.442
  308    HE2  PHE  40           HE2      PHE  40   8.593  -5.879  -8.663
  309    HZ   PHE  40           HZ       PHE  40   9.898  -7.506  -7.345
  310    H    ASP  41           H        ASP  41   3.257  -3.526  -5.776
  311    HA   ASP  41           HA       ASP  41   5.534  -1.752  -6.182
  312    HB2  ASP  41          2HB       ASP  41   3.728  -1.874  -7.876
  313    HB3  ASP  41          1HB       ASP  41   2.553  -1.333  -6.684
  314    H    LEU  42           H        LEU  42   2.578  -1.866  -4.153
  315    HA   LEU  42           HA       LEU  42   2.900   0.590  -2.816
  316    HB2  LEU  42          2HB       LEU  42   1.307  -1.903  -2.203
  317    HB3  LEU  42          1HB       LEU  42   1.450  -0.688  -0.952
  318    HG   LEU  42           HG       LEU  42  -0.655  -0.360  -2.082
  319   HD11  LEU  42          1HD1      LEU  42   1.252   1.807  -2.992
  320   HD12  LEU  42          2HD1      LEU  42   0.504   1.680  -1.398
  321   HD13  LEU  42          3HD1      LEU  42  -0.500   1.956  -2.818
  322   HD21  LEU  42          1HD2      LEU  42  -0.198  -1.491  -4.195
  323   HD22  LEU  42          2HD2      LEU  42   0.842  -0.159  -4.707
  324   HD23  LEU  42          3HD2      LEU  42  -0.890   0.108  -4.476
  325    H    VAL  43           H        VAL  43   4.334  -2.558  -2.180
  326    HA   VAL  43           HA       VAL  43   5.357  -1.947   0.442
  327    HB   VAL  43           HB       VAL  43   6.676  -3.990   0.295
  328   HG11  VAL  43          1HG1      VAL  43   4.413  -4.338   0.919
  329   HG12  VAL  43          2HG1      VAL  43   4.833  -5.635  -0.189
  330   HG13  VAL  43          3HG1      VAL  43   3.859  -4.284  -0.751
  331   HG21  VAL  43          1HG2      VAL  43   6.727  -5.435  -1.737
  332   HG22  VAL  43          2HG2      VAL  43   7.504  -3.877  -2.022
  333   HG23  VAL  43          3HG2      VAL  43   5.880  -4.179  -2.639
  334    H    ASP  44           H        ASP  44   6.518  -1.605  -2.872
  335    HA   ASP  44           HA       ASP  44   9.250  -1.053  -2.359
  336    HB2  ASP  44          2HB       ASP  44   8.295  -1.510  -4.645
  337    HB3  ASP  44          1HB       ASP  44   7.507   0.050  -4.607
  338    H    PHE  45           H        PHE  45   6.338   0.888  -2.544
  339    HA   PHE  45           HA       PHE  45   7.473   3.424  -2.442
  340    HB2  PHE  45          2HB       PHE  45   5.129   2.892  -3.151
  341    HB3  PHE  45          1HB       PHE  45   4.712   2.553  -1.476
  342    HD1  PHE  45           HD1      PHE  45   5.599   5.227  -3.891
  343    HD2  PHE  45           HD2      PHE  45   4.313   4.389   0.109
  344    HE1  PHE  45           HE1      PHE  45   5.045   7.595  -3.564
  345    HE2  PHE  45           HE2      PHE  45   3.762   6.759   0.419
  346    HZ   PHE  45           HZ       PHE  45   4.125   8.364  -1.414
  347    H    LEU  46           H        LEU  46   6.217   1.327   0.178
  348    HA   LEU  46           HA       LEU  46   6.775   3.241   2.268
  349    HB2  LEU  46          2HB       LEU  46   6.010   0.319   2.509
  350    HB3  LEU  46          1HB       LEU  46   6.039   1.477   3.828
  351    HG   LEU  46           HG       LEU  46   4.129   1.473   1.456
  352   HD11  LEU  46          1HD1      LEU  46   3.591   1.075   4.412
  353   HD12  LEU  46          2HD1      LEU  46   3.605  -0.189   3.180
  354   HD13  LEU  46          3HD1      LEU  46   2.389   1.082   3.119
  355   HD21  LEU  46          1HD2      LEU  46   3.030   3.441   2.499
  356   HD22  LEU  46          2HD2      LEU  46   4.669   3.806   1.970
  357   HD23  LEU  46          3HD2      LEU  46   4.337   3.539   3.684
  358    H    ARG  47           H        ARG  47   8.480   0.374   1.017
  359    HA   ARG  47           HA       ARG  47  10.338   0.168   3.197
  360    HB2  ARG  47          2HB       ARG  47  11.526  -1.441   1.895
  361    HB3  ARG  47          1HB       ARG  47   9.838  -1.666   1.463
  362    HG2  ARG  47          2HG       ARG  47  10.218  -0.372  -0.621
  363    HG3  ARG  47          1HG       ARG  47  11.913  -0.185  -0.187
  364    HD2  ARG  47          2HD       ARG  47  12.189  -2.642  -0.285
  365    HD3  ARG  47          1HD       ARG  47  10.491  -2.804  -0.748
  366    HE   ARG  47           HE       ARG  47  11.230  -1.245  -2.697
  367   HH11  ARG  47          1HH1      ARG  47  13.181  -3.849  -1.376
  368   HH12  ARG  47          2HH1      ARG  47  14.018  -4.138  -2.867
  369   HH21  ARG  47          1HH2      ARG  47  12.344  -1.638  -4.632
  370   HH22  ARG  47          2HH2      ARG  47  13.541  -2.883  -4.706
  371    H    GLN  48           H        GLN  48  10.174   1.982   0.248
  372    HA   GLN  48           HA       GLN  48  12.728   3.163   0.082
  373    HB2  GLN  48          2HB       GLN  48  11.137   3.168  -1.767
  374    HB3  GLN  48          1HB       GLN  48   9.942   4.013  -0.795
  375    HG2  GLN  48          2HG       GLN  48  11.499   6.009  -0.775
  376    HG3  GLN  48          1HG       GLN  48  12.502   5.151  -1.945
  377   HE21  GLN  48          1HE2      GLN  48   8.952   5.080  -1.835
  378   HE22  GLN  48          2HE2      GLN  48   8.723   5.887  -3.343
  379    H    GLU  49           H        GLU  49   9.653   4.294   1.468
  380    HA   GLU  49           HA       GLU  49  10.603   6.792   2.437
  381    HB2  GLU  49          2HB       GLU  49   8.073   5.217   3.027
  382    HB3  GLU  49          1HB       GLU  49   8.357   6.846   3.614
  383    HG2  GLU  49          2HG       GLU  49   8.077   5.965   0.725
  384    HG3  GLU  49          1HG       GLU  49   6.951   6.963   1.643
  385    H    SER  50           H        SER  50  10.424   3.621   3.820
  386    HA   SER  50           HA       SER  50  11.241   4.592   6.504
  387    HB2  SER  50          2HB       SER  50  10.392   1.804   5.665
  388    HB3  SER  50          1HB       SER  50  10.595   2.389   7.320
  389    HG   SER  50           HG       SER  50   8.500   2.672   5.585
  390    H    LYS  51           H        LYS  51  12.723   3.501   3.731
  391    HA   LYS  51           HA       LYS  51  14.837   2.911   3.190
  392    HB2  LYS  51          2HB       LYS  51  15.453   4.031   5.950
  393    HB3  LYS  51          1HB       LYS  51  16.653   3.734   4.698
  394    HG2  LYS  51          2HG       LYS  51  16.292   5.985   4.377
  395    HG3  LYS  51          1HG       LYS  51  15.095   5.339   3.268
  396    HD2  LYS  51          2HD       LYS  51  13.377   5.659   5.085
  397    HD3  LYS  51          1HD       LYS  51  14.620   6.456   6.051
  398    HE2  LYS  51          2HE       LYS  51  14.889   8.134   4.202
  399    HE3  LYS  51          1HE       LYS  51  13.536   7.366   3.368
  400    HZ1  LYS  51          1HZ       LYS  51  13.454   8.665   6.029
  401    HZ2  LYS  51          2HZ       LYS  51  12.153   7.880   5.293
  402    HZ3  LYS  51          3HZ       LYS  51  12.799   9.274   4.592
  403    H    VAL  52           H        VAL  52  13.223   0.897   4.275
  404    HA   VAL  52           HA       VAL  52  15.127  -0.991   5.530
  405    HB   VAL  52           HB       VAL  52  13.230  -0.321   7.061
  406   HG11  VAL  52          1HG1      VAL  52  11.487   0.145   5.367
  407   HG12  VAL  52          2HG1      VAL  52  10.893  -0.989   6.582
  408   HG13  VAL  52          3HG1      VAL  52  11.378  -1.578   4.991
  409   HG21  VAL  52          1HG2      VAL  52  14.235  -2.559   7.339
  410   HG22  VAL  52          2HG2      VAL  52  13.082  -3.234   6.188
  411   HG23  VAL  52          3HG2      VAL  52  12.513  -2.597   7.732
  412    H    SER  53           H        SER  53  14.819  -3.244   4.759
  413    HA   SER  53           HA       SER  53  13.570  -3.469   2.080
  414    HB2  SER  53          2HB       SER  53  15.996  -4.120   2.291
  415    HB3  SER  53          1HB       SER  53  15.540  -5.382   3.434
  416    HG   SER  53           HG       SER  53  15.064  -6.590   1.789
  417    H    ILE  54           H        ILE  54  11.580  -4.291   2.097
  418    HA   ILE  54           HA       ILE  54  10.563  -5.800   4.383
  419    HB   ILE  54           HB       ILE  54   9.202  -3.931   3.483
  420   HG12  ILE  54          2HG1      ILE  54   7.888  -6.664   3.154
  421   HG13  ILE  54          1HG1      ILE  54   8.089  -5.809   4.676
  422   HG21  ILE  54          1HG2      ILE  54   8.890  -5.604   0.961
  423   HG22  ILE  54          2HG2      ILE  54   9.808  -4.100   1.088
  424   HG23  ILE  54          3HG2      ILE  54   8.058  -4.086   1.308
  425   HD11  ILE  54          1HD1      ILE  54   6.377  -4.921   2.364
  426   HD12  ILE  54          2HD1      ILE  54   6.536  -4.093   3.917
  427   HD13  ILE  54          3HD1      ILE  54   5.820  -5.706   3.840
  428    H    GLY  55           H        GLY  55   9.810  -7.930   4.256
  429    HA2  GLY  55          2HA       GLY  55  10.595  -9.494   1.857
  430    HA3  GLY  55          1HA       GLY  55  10.467 -10.119   3.495
  431    H    MET  56           H        MET  56   9.181 -11.391   1.341
  432    HA   MET  56           HA       MET  56   6.470 -10.613   0.992
  433    HB2  MET  56          2HB       MET  56   8.027 -13.118   0.366
  434    HB3  MET  56          1HB       MET  56   6.273 -13.153   0.232
  435    HG2  MET  56          2HG       MET  56   8.111 -11.256  -1.245
  436    HG3  MET  56          1HG       MET  56   7.291 -12.673  -1.928
  437    HE1  MET  56          1HE       MET  56   5.390  -9.374  -3.296
  438    HE2  MET  56          2HE       MET  56   6.260 -10.806  -3.824
  439    HE3  MET  56          3HE       MET  56   7.109  -9.544  -2.937
  440    H    GLN  57           H        GLN  57   7.995 -12.184   3.608
  441    HA   GLN  57           HA       GLN  57   5.807 -13.472   4.858
  442    HB2  GLN  57          2HB       GLN  57   7.162 -13.218   6.939
  443    HB3  GLN  57          1HB       GLN  57   8.119 -13.836   5.597
  444    HG2  GLN  57          2HG       GLN  57   8.982 -11.492   5.229
  445    HG3  GLN  57          1HG       GLN  57   8.140 -11.006   6.697
  446   HE21  GLN  57          1HE2      GLN  57  10.794 -12.880   5.403
  447   HE22  GLN  57          2HE2      GLN  57  11.629 -13.099   6.900
  448    H    GLU  58           H        GLU  58   6.730 -10.125   4.545
  449    HA   GLU  58           HA       GLU  58   4.684  -9.148   6.442
  450    HB2  GLU  58          2HB       GLU  58   6.973  -7.695   5.048
  451    HB3  GLU  58          1HB       GLU  58   5.892  -6.979   6.239
  452    HG2  GLU  58          2HG       GLU  58   7.858  -9.231   6.734
  453    HG3  GLU  58          1HG       GLU  58   8.055  -7.547   7.225
  454    H    ILE  59           H        ILE  59   5.565  -9.246   3.054
  455    HA   ILE  59           HA       ILE  59   3.802  -7.206   2.103
  456    HB   ILE  59           HB       ILE  59   5.097  -9.505   0.583
  457   HG12  ILE  59          2HG1      ILE  59   5.988  -6.600   0.882
  458   HG13  ILE  59          1HG1      ILE  59   6.734  -7.976   1.671
  459   HG21  ILE  59          1HG2      ILE  59   3.182  -8.678  -0.697
  460   HG22  ILE  59          2HG2      ILE  59   4.672  -8.161  -1.482
  461   HG23  ILE  59          3HG2      ILE  59   3.737  -7.012  -0.523
  462   HD11  ILE  59          1HD1      ILE  59   8.054  -7.239  -0.181
  463   HD12  ILE  59          2HD1      ILE  59   6.685  -7.410  -1.278
  464   HD13  ILE  59          3HD1      ILE  59   7.402  -8.841  -0.528
  465    H    HIS  60           H        HIS  60   1.775  -7.597   2.918
  466    HA   HIS  60           HA       HIS  60   0.258  -9.821   1.719
  467    HB2  HIS  60          2HB       HIS  60   0.743  -9.415   4.568
  468    HB3  HIS  60          1HB       HIS  60  -0.966  -9.163   4.252
  469    HD1  HIS  60           HD1      HIS  60   1.710 -11.811   4.003
  470    HD2  HIS  60           HD2      HIS  60  -2.424 -11.452   3.820
  471    HE1  HIS  60           HE1      HIS  60   0.828 -14.161   4.049
  472    HE2  HIS  60           HE2      HIS  60  -1.648 -13.907   3.699
  473    HA   PRO  61           HA       PRO  61  -2.289  -6.349   0.469
  474    HB2  PRO  61          2HB       PRO  61  -4.505  -7.784  -0.373
  475    HB3  PRO  61          1HB       PRO  61  -3.022  -7.637  -1.333
  476    HG2  PRO  61          2HG       PRO  61  -3.909  -9.895   0.422
  477    HG3  PRO  61          1HG       PRO  61  -3.149  -9.947  -1.186
  478    HD2  PRO  61          2HD       PRO  61  -1.746 -10.385   1.101
  479    HD3  PRO  61          1HD       PRO  61  -1.009  -9.613  -0.320
  480    H    ALA  62           H        ALA  62  -3.418  -8.843   2.735
  481    HA   ALA  62           HA       ALA  62  -5.593  -7.392   3.875
  482    HB1  ALA  62          1HB       ALA  62  -5.446  -9.014   5.737
  483    HB2  ALA  62          2HB       ALA  62  -3.893  -9.582   5.121
  484    HB3  ALA  62          3HB       ALA  62  -5.358  -9.825   4.171
  485    H    ASN  63           H        ASN  63  -2.128  -7.343   4.392
  486    HA   ASN  63           HA       ASN  63  -2.176  -5.631   6.732
  487    HB2  ASN  63          2HB       ASN  63   0.111  -6.449   4.883
  488    HB3  ASN  63          1HB       ASN  63   0.314  -5.484   6.343
  489   HD21  ASN  63          1HD2      ASN  63   1.758  -7.126   7.081
  490   HD22  ASN  63          2HD2      ASN  63   1.157  -8.584   7.778
  491    H    PHE  64           H        PHE  64  -2.203  -5.256   3.279
  492    HA   PHE  64           HA       PHE  64  -1.842  -2.311   3.451
  493    HB2  PHE  64          2HB       PHE  64  -1.563  -4.280   1.136
  494    HB3  PHE  64          1HB       PHE  64  -1.664  -2.541   0.876
  495    HD1  PHE  64           HD1      PHE  64   0.359  -5.130   2.663
  496    HD2  PHE  64           HD2      PHE  64   0.295  -1.213   0.985
  497    HE1  PHE  64           HE1      PHE  64   2.759  -4.945   3.026
  498    HE2  PHE  64           HE2      PHE  64   2.706  -1.027   1.373
  499    HZ   PHE  64           HZ       PHE  64   3.946  -2.897   2.394
  500    H    ALA  65           H        ALA  65  -4.257  -3.981   4.157
  501    HA   ALA  65           HA       ALA  65  -6.314  -3.733   2.234
  502    HB1  ALA  65          1HB       ALA  65  -6.416  -5.281   4.152
  503    HB2  ALA  65          2HB       ALA  65  -7.838  -4.238   4.112
  504    HB3  ALA  65          3HB       ALA  65  -6.543  -3.919   5.268
  505    H    THR  66           H        THR  66  -5.024  -1.461   4.579
  506    HA   THR  66           HA       THR  66  -6.516   0.788   3.433
  507    HB   THR  66           HB       THR  66  -6.847   1.810   5.741
  508    HG1  THR  66           HG1      THR  66  -6.144  -0.810   6.600
  509   HG21  THR  66          1HG2      THR  66  -8.382  -0.781   5.363
  510   HG22  THR  66          2HG2      THR  66  -8.812   0.782   4.665
  511   HG23  THR  66          3HG2      THR  66  -8.856   0.555   6.416
  512    H    VAL  67           H        VAL  67  -5.366   2.949   4.265
  513    HA   VAL  67           HA       VAL  67  -2.515   2.572   4.157
  514    HB   VAL  67           HB       VAL  67  -3.801   4.690   3.347
  515   HG11  VAL  67          1HG1      VAL  67  -4.956   5.276   5.451
  516   HG12  VAL  67          2HG1      VAL  67  -3.907   6.591   4.921
  517   HG13  VAL  67          3HG1      VAL  67  -3.400   5.543   6.246
  518   HG21  VAL  67          1HG2      VAL  67  -1.182   4.985   4.861
  519   HG22  VAL  67          2HG2      VAL  67  -1.777   6.086   3.616
  520   HG23  VAL  67          3HG2      VAL  67  -1.359   4.424   3.196
  521    H    GLN  68           H        GLN  68  -4.877   2.953   6.685
  522    HA   GLN  68           HA       GLN  68  -3.260   3.547   8.897
  523    HB2  GLN  68          2HB       GLN  68  -5.727   3.639   8.990
  524    HB3  GLN  68          1HB       GLN  68  -5.827   1.906   8.703
  525    HG2  GLN  68          2HG       GLN  68  -4.657   1.535  10.901
  526    HG3  GLN  68          1HG       GLN  68  -4.756   3.271  11.200
  527   HE21  GLN  68          1HE2      GLN  68  -6.018   2.886  13.072
  528   HE22  GLN  68          2HE2      GLN  68  -7.679   2.430  12.968
  529    H    SER  69           H        SER  69  -4.316   0.414   7.575
  530    HA   SER  69           HA       SER  69  -2.993  -1.240   9.437
  531    HB2  SER  69          2HB       SER  69  -3.462  -3.085   7.799
  532    HB3  SER  69          1HB       SER  69  -4.881  -2.085   8.108
  533    HG   SER  69           HG       SER  69  -3.170  -1.999   5.843
  534    H    MET  70           H        MET  70  -2.021   0.076   6.265
  535    HA   MET  70           HA       MET  70   0.302  -1.633   6.034
  536    HB2  MET  70          2HB       MET  70   0.681  -0.687   3.895
  537    HB3  MET  70          1HB       MET  70  -1.069  -0.748   4.052
  538    HG2  MET  70          2HG       MET  70  -1.139   1.645   4.490
  539    HG3  MET  70          1HG       MET  70   0.618   1.733   4.467
  540    HE1  MET  70          1HE       MET  70  -1.980   0.867   0.734
  541    HE2  MET  70          2HE       MET  70  -2.636   1.166   2.349
  542    HE3  MET  70          3HE       MET  70  -1.767  -0.330   2.007
  543    H    VAL  71           H        VAL  71  -0.300   1.727   7.055
  544    HA   VAL  71           HA       VAL  71   2.438   2.554   7.045
  545    HB   VAL  71           HB       VAL  71   0.262   4.053   7.124
  546   HG11  VAL  71          1HG1      VAL  71  -0.362   4.998   9.286
  547   HG12  VAL  71          2HG1      VAL  71   0.764   3.912  10.100
  548   HG13  VAL  71          3HG1      VAL  71  -0.643   3.252   9.269
  549   HG21  VAL  71          1HG2      VAL  71   2.780   4.878   8.614
  550   HG22  VAL  71          2HG2      VAL  71   1.578   5.989   7.948
  551   HG23  VAL  71          3HG2      VAL  71   2.522   4.962   6.870
  552    H    ALA  72           H        ALA  72   0.279   1.116   9.385
  553    HA   ALA  72           HA       ALA  72   2.054   1.400  11.655
  554    HB1  ALA  72          1HB       ALA  72  -0.386   1.631  11.896
  555    HB2  ALA  72          2HB       ALA  72   0.245   0.328  12.910
  556    HB3  ALA  72          3HB       ALA  72  -0.596  -0.050  11.401
  557    H    LEU  73           H        LEU  73   1.201  -1.069   9.309
  558    HA   LEU  73           HA       LEU  73   2.251  -3.399  10.451
  559    HB2  LEU  73          2HB       LEU  73   1.180  -3.926   8.466
  560    HB3  LEU  73          1HB       LEU  73   1.582  -2.389   7.735
  561    HG   LEU  73           HG       LEU  73   3.951  -3.354   7.398
  562   HD11  LEU  73          1HD1      LEU  73   3.838  -5.282   8.840
  563   HD12  LEU  73          2HD1      LEU  73   4.140  -5.791   7.179
  564   HD13  LEU  73          3HD1      LEU  73   2.527  -5.979   7.879
  565   HD21  LEU  73          1HD2      LEU  73   2.417  -2.893   5.587
  566   HD22  LEU  73          2HD2      LEU  73   1.654  -4.471   5.787
  567   HD23  LEU  73          3HD2      LEU  73   3.336  -4.362   5.262
  568    H    VAL  74           H        VAL  74   3.737  -0.866   8.460
  569    HA   VAL  74           HA       VAL  74   6.349  -1.859   8.358
  570    HB   VAL  74           HB       VAL  74   5.437   1.051   8.216
  571   HG11  VAL  74          1HG1      VAL  74   8.117  -0.173   7.407
  572   HG12  VAL  74          2HG1      VAL  74   7.845   0.947   8.744
  573   HG13  VAL  74          3HG1      VAL  74   7.617   1.491   7.083
  574   HG21  VAL  74          1HG2      VAL  74   6.009  -0.952   5.982
  575   HG22  VAL  74          2HG2      VAL  74   5.576   0.744   5.752
  576   HG23  VAL  74          3HG2      VAL  74   4.415  -0.372   6.471
  577    H    GLN  75           H        GLN  75   4.856   0.472  10.616
  578    HA   GLN  75           HA       GLN  75   7.157   1.069  12.156
  579    HB2  GLN  75          2HB       GLN  75   4.246   1.075  13.090
  580    HB3  GLN  75          1HB       GLN  75   5.572   1.986  13.811
  581    HG2  GLN  75          2HG       GLN  75   5.778   3.320  11.741
  582    HG3  GLN  75          1HG       GLN  75   4.471   2.387  11.019
  583   HE21  GLN  75          1HE2      GLN  75   4.625   5.238  11.429
  584   HE22  GLN  75          2HE2      GLN  75   3.271   5.678  12.411
  585    H    ARG  76           H        ARG  76   5.046  -1.712  12.237
  586    HA   ARG  76           HA       ARG  76   5.870  -2.635  14.870
  587    HB2  ARG  76          2HB       ARG  76   4.107  -3.879  12.730
  588    HB3  ARG  76          1HB       ARG  76   4.434  -4.638  14.288
  589    HG2  ARG  76          2HG       ARG  76   3.337  -2.849  15.481
  590    HG3  ARG  76          1HG       ARG  76   3.192  -1.881  14.014
  591    HD2  ARG  76          2HD       ARG  76   1.657  -3.574  13.074
  592    HD3  ARG  76          1HD       ARG  76   1.779  -4.507  14.570
  593    HE   ARG  76           HE       ARG  76   0.924  -1.755  14.909
  594   HH11  ARG  76          1HH1      ARG  76  -0.184  -5.049  14.459
  595   HH12  ARG  76          2HH1      ARG  76  -1.765  -4.732  15.086
  596   HH21  ARG  76          1HH2      ARG  76  -1.176  -1.351  15.686
  597   HH22  ARG  76          2HH2      ARG  76  -2.327  -2.643  15.778
  598    H    LEU  77           H        LEU  77   6.458  -3.557  11.439
  599    HA   LEU  77           HA       LEU  77   8.174  -5.747  12.114
  600    HB2  LEU  77          2HB       LEU  77   8.817  -5.817   9.726
  601    HB3  LEU  77          1HB       LEU  77   7.091  -5.834   9.982
  602    HG   LEU  77           HG       LEU  77   7.134  -3.322   9.382
  603   HD11  LEU  77          1HD1      LEU  77   9.485  -2.811   9.510
  604   HD12  LEU  77          2HD1      LEU  77   8.919  -2.550   7.863
  605   HD13  LEU  77          3HD1      LEU  77   9.864  -3.992   8.252
  606   HD21  LEU  77          1HD2      LEU  77   6.161  -5.020   7.941
  607   HD22  LEU  77          2HD2      LEU  77   7.736  -5.339   7.209
  608   HD23  LEU  77          3HD2      LEU  77   6.955  -3.769   6.988
  609    H    LYS  78           H        LYS  78   8.672  -2.317  11.724
  610    HA   LYS  78           HA       LYS  78  11.440  -2.089  11.409
  611    HB2  LYS  78          2HB       LYS  78   9.444  -0.342  12.894
  612    HB3  LYS  78          1HB       LYS  78  11.120   0.136  12.684
  613    HG2  LYS  78          2HG       LYS  78   9.180  -0.419  10.416
  614    HG3  LYS  78          1HG       LYS  78   9.541   1.182  11.040
  615    HD2  LYS  78          2HD       LYS  78  11.740  -0.602   9.956
  616    HD3  LYS  78          1HD       LYS  78  10.742   0.356   8.865
  617    HE2  LYS  78          2HE       LYS  78  12.796   1.564   9.355
  618    HE3  LYS  78          1HE       LYS  78  11.436   2.414  10.089
  619    HZ1  LYS  78          1HZ       LYS  78  12.028   1.525  12.215
  620    HZ2  LYS  78          2HZ       LYS  78  13.390   2.252  11.537
  621    HZ3  LYS  78          3HZ       LYS  78  13.247   0.572  11.545
  622    H    ALA  79           H        ALA  79   9.514  -2.791  14.258
  623    HA   ALA  79           HA       ALA  79  11.560  -2.472  16.227
  624    HB1  ALA  79          1HB       ALA  79   9.923  -3.518  17.761
  625    HB2  ALA  79          2HB       ALA  79   8.905  -3.944  16.382
  626    HB3  ALA  79          3HB       ALA  79   9.173  -2.249  16.790
  627    H    HIS  80           H        HIS  80  10.758  -4.995  14.003
  628    HA   HIS  80           HA       HIS  80  11.919  -7.196  15.493
  629    HB2  HIS  80          2HB       HIS  80  10.845  -6.947  12.652
  630    HB3  HIS  80          1HB       HIS  80  11.612  -8.425  13.233
  631    HD1  HIS  80           HD1      HIS  80   8.408  -7.470  12.584
  632    HD2  HIS  80           HD2      HIS  80  10.206  -8.891  16.047
  633    HE1  HIS  80           HE1      HIS  80   6.554  -8.437  13.966
  634    HE2  HIS  80           HE2      HIS  80   7.680  -9.412  15.987
  635    HA   PRO  81           HA       PRO  81  16.147  -6.610  14.128
  636    HB2  PRO  81          2HB       PRO  81  17.178  -9.102  14.571
  637    HB3  PRO  81          1HB       PRO  81  16.669  -8.053  15.912
  638    HG2  PRO  81          2HG       PRO  81  15.161 -10.321  14.634
  639    HG3  PRO  81          1HG       PRO  81  15.396  -9.968  16.362
  640    HD2  PRO  81          2HD       PRO  81  13.111  -9.278  15.030
  641    HD3  PRO  81          1HD       PRO  81  13.745  -8.318  16.389
  642    H    GLU  82           H        GLU  82  14.082  -9.010  12.624
  643    HA   GLU  82           HA       GLU  82  15.703  -9.781  10.420
  644    HB2  GLU  82          2HB       GLU  82  12.655  -9.635  10.576
  645    HB3  GLU  82          1HB       GLU  82  13.576 -10.510   9.357
  646    HG2  GLU  82          2HG       GLU  82  13.419 -11.137  12.317
  647    HG3  GLU  82          1HG       GLU  82  12.715 -12.071  10.994
  648    H    GLN  83           H        GLN  83  13.535  -7.112  11.041
  649    HA   GLN  83           HA       GLN  83  13.994  -5.905   8.373
  650    HB2  GLN  83          2HB       GLN  83  11.864  -5.270  10.451
  651    HB3  GLN  83          1HB       GLN  83  11.937  -4.646   8.810
  652    HG2  GLN  83          2HG       GLN  83  11.522  -7.566   9.535
  653    HG3  GLN  83          1HG       GLN  83  10.232  -6.435   9.123
  654   HE21  GLN  83          1HE2      GLN  83  10.110  -5.641   6.983
  655   HE22  GLN  83          2HE2      GLN  83  10.864  -6.473   5.676
  656    H    GLY  84           H        GLY  84  15.826  -5.904  10.769
  657    HA2  GLY  84          2HA       GLY  84  15.886  -3.335  11.977
  658    HA3  GLY  84          1HA       GLY  84  17.217  -4.484  11.892
  659    H    GLY  85           H        GLY  85  16.704  -1.441  11.280
  660    HA2  GLY  85          2HA       GLY  85  17.449  -0.990   8.576
  661    HA3  GLY  85          1HA       GLY  85  17.558   0.169   9.894
  662    H    ALA  86           H        ALA  86  19.229  -2.161   7.984
  663    HA   ALA  86           HA       ALA  86  21.462  -2.850   9.451
  664    HB1  ALA  86          1HB       ALA  86  22.520  -3.417   7.296
  665    HB2  ALA  86          2HB       ALA  86  21.299  -2.472   6.439
  666    HB3  ALA  86          3HB       ALA  86  20.830  -3.923   7.326
  667    H    ALA  87           H        ALA  87  21.177  -0.133   7.143
  668    HA   ALA  87           HA       ALA  87  22.883   1.544   8.759
  669    HB1  ALA  87          1HB       ALA  87  24.602   0.300   7.500
  670    HB2  ALA  87          2HB       ALA  87  24.573   1.996   7.007
  671    HB3  ALA  87          3HB       ALA  87  23.838   0.760   5.979
  672    H    LEU  88           H        LEU  88  21.630   3.338   8.750
  673    HA   LEU  88           HA       LEU  88  20.366   4.379   6.349
  674    HB2  LEU  88          2HB       LEU  88  19.368   4.730   8.637
  675    HB3  LEU  88          1HB       LEU  88  20.770   5.696   9.077
  676    HG   LEU  88           HG       LEU  88  20.174   7.352   7.301
  677   HD11  LEU  88          1HD1      LEU  88  17.685   5.661   6.872
  678   HD12  LEU  88          2HD1      LEU  88  19.004   5.895   5.724
  679   HD13  LEU  88          3HD1      LEU  88  17.979   7.255   6.171
  680   HD21  LEU  88          1HD2      LEU  88  18.233   8.348   8.435
  681   HD22  LEU  88          2HD2      LEU  88  19.424   7.752   9.588
  682   HD23  LEU  88          3HD2      LEU  88  17.945   6.832   9.294
  683    H    GLU  89           H        GLU  89  22.273   4.327   5.082
  684    HA   GLU  89           HA       GLU  89  24.607   5.889   5.861
  685    HB2  GLU  89          2HB       GLU  89  25.573   4.876   3.716
  686    HB3  GLU  89          1HB       GLU  89  25.185   3.765   5.018
  687    HG2  GLU  89          2HG       GLU  89  23.019   3.241   3.803
  688    HG3  GLU  89          1HG       GLU  89  23.629   4.185   2.446
  689   H282  PNS 101          3H28      PNS 136  -0.036 -12.006  -2.978
  690   H281  PNS 101          2H28      PNS 136   0.190 -10.333  -3.484
  691   H303  PNS 101          3H51      PNS 136   3.489 -11.274  -2.110
  692   H302  PNS 101          2H51      PNS 136   2.161 -10.124  -1.992
  693   H301  PNS 101          1H51      PNS 136   1.926 -11.798  -1.466
  694   H313  PNS 101          3H52      PNS 136   2.316 -10.870  -5.634
  695   H312  PNS 101          2H52      PNS 136   3.722 -10.745  -4.581
  696   H311  PNS 101          1H52      PNS 136   2.397  -9.581  -4.424
  697    H32  PNS 101           H32      PNS 136   1.836 -13.644  -3.194
  698    H33  PNS 101           H33      PNS 136   0.978 -13.348  -5.292
  699    H36  PNS 101           H36      PNS 136   4.069 -13.088  -5.781
  700   H372  PNS 101          3H37      PNS 136   6.456 -13.728  -4.126
  701   H371  PNS 101          2H37      PNS 136   6.153 -14.416  -5.717
  702   H382  PNS 101          3H38      PNS 136   6.697 -11.497  -5.122
  703   H381  PNS 101          2H38      PNS 136   7.841 -12.630  -5.827
  704    H41  PNS 101           H41      PNS 136   4.937 -10.767  -6.350
  705   H422  PNS 101          3H42      PNS 136   4.082 -11.443  -8.874
  706   H421  PNS 101          2H42      PNS 136   5.412 -10.313  -9.119
  707   H431  PNS 101          2H43      PNS 136   2.926  -9.773  -7.465
  708   H432  PNS 101          3H43      PNS 136   4.254  -8.635  -7.748
  709    H44  PNS 101           H44      PNS 136   3.878  -8.581 -10.538
  Start of MODEL    7
    1    H1   MET   1          1H        MET   1   2.350  16.270   1.206
    2    H2   MET   1          2H        MET   1   2.778  15.494   2.644
    3    H3   MET   1          3H        MET   1   1.324  16.349   2.544
    4    HA   MET   1           HA       MET   1   0.988  13.962   2.450
    5    HB2  MET   1          2HB       MET   1  -0.502  13.946   0.477
    6    HB3  MET   1          1HB       MET   1  -0.626  15.471   1.336
    7    HG2  MET   1          2HG       MET   1   1.185  16.227  -0.480
    8    HG3  MET   1          1HG       MET   1   0.442  14.921  -1.397
    9    HE1  MET   1          1HE       MET   1  -2.690  15.172  -0.291
   10    HE2  MET   1          2HE       MET   1  -2.222  14.870  -1.965
   11    HE3  MET   1          3HE       MET   1  -3.318  16.199  -1.578
   12    H    LEU   2           H        LEU   2   1.419  11.968   1.431
   13    HA   LEU   2           HA       LEU   2   3.662  11.781  -0.476
   14    HB2  LEU   2          2HB       LEU   2   4.712  11.975   1.732
   15    HB3  LEU   2          1HB       LEU   2   3.678  10.717   2.383
   16    HG   LEU   2           HG       LEU   2   4.823   9.052   0.871
   17   HD11  LEU   2          1HD1      LEU   2   5.566  10.556  -0.905
   18   HD12  LEU   2          2HD1      LEU   2   6.918   9.641  -0.245
   19   HD13  LEU   2          3HD1      LEU   2   6.702  11.336   0.202
   20   HD21  LEU   2          1HD2      LEU   2   6.890   8.891   2.165
   21   HD22  LEU   2          2HD2      LEU   2   5.535   9.299   3.210
   22   HD23  LEU   2          3HD2      LEU   2   6.692  10.548   2.739
   23    H    GLU   3           H        GLU   3   1.484  10.060   1.701
   24    HA   GLU   3           HA       GLU   3   1.297   7.630   0.257
   25    HB2  GLU   3          2HB       GLU   3  -0.468   7.027   1.749
   26    HB3  GLU   3          1HB       GLU   3   0.752   7.880   2.679
   27    HG2  GLU   3          2HG       GLU   3  -1.847   9.076   1.693
   28    HG3  GLU   3          1HG       GLU   3  -1.566   8.456   3.307
   29    H    SER   4           H        SER   4  -0.295  10.683  -0.108
   30    HA   SER   4           HA       SER   4  -2.432   9.998  -1.805
   31    HB2  SER   4          2HB       SER   4  -0.704  12.509  -1.913
   32    HB3  SER   4          1HB       SER   4  -2.357  12.342  -2.513
   33    HG   SER   4           HG       SER   4  -2.773  11.703  -0.183
   34    H    LYS   5           H        LYS   5   1.015  10.173  -2.407
   35    HA   LYS   5           HA       LYS   5   0.804  10.244  -5.284
   36    HB2  LYS   5          2HB       LYS   5   2.689  11.363  -4.141
   37    HB3  LYS   5          1HB       LYS   5   3.242   9.813  -3.508
   38    HG2  LYS   5          2HG       LYS   5   3.666   9.019  -5.813
   39    HG3  LYS   5          1HG       LYS   5   3.097  10.564  -6.450
   40    HD2  LYS   5          2HD       LYS   5   4.968  11.728  -5.379
   41    HD3  LYS   5          1HD       LYS   5   5.513  10.223  -4.630
   42    HE2  LYS   5          2HE       LYS   5   5.919   9.266  -6.876
   43    HE3  LYS   5          1HE       LYS   5   5.390  10.778  -7.617
   44    HZ1  LYS   5          1HZ       LYS   5   7.229  11.897  -6.558
   45    HZ2  LYS   5          2HZ       LYS   5   7.781  10.614  -7.507
   46    HZ3  LYS   5          3HZ       LYS   5   7.726  10.458  -5.825
   47    H    LEU   6           H        LEU   6   1.406   7.683  -2.810
   48    HA   LEU   6           HA       LEU   6   2.087   5.646  -4.697
   49    HB2  LEU   6          2HB       LEU   6   1.700   3.986  -2.910
   50    HB3  LEU   6          1HB       LEU   6   2.693   5.319  -2.371
   51    HG   LEU   6           HG       LEU   6   0.459   6.260  -1.360
   52   HD11  LEU   6          1HD1      LEU   6  -1.144   4.605  -0.549
   53   HD12  LEU   6          2HD1      LEU   6  -0.336   3.341  -1.480
   54   HD13  LEU   6          3HD1      LEU   6  -1.122   4.685  -2.307
   55   HD21  LEU   6          1HD2      LEU   6   2.426   5.579  -0.058
   56   HD22  LEU   6          2HD2      LEU   6   1.812   3.924   0.012
   57   HD23  LEU   6          3HD2      LEU   6   0.906   5.247   0.771
   58    H    ILE   7           H        ILE   7  -0.967   6.901  -3.501
   59    HA   ILE   7           HA       ILE   7  -2.768   5.111  -4.739
   60    HB   ILE   7           HB       ILE   7  -3.040   8.129  -4.411
   61   HG12  ILE   7          2HG1      ILE   7  -4.179   5.994  -2.557
   62   HG13  ILE   7          1HG1      ILE   7  -2.638   6.797  -2.268
   63   HG21  ILE   7          1HG2      ILE   7  -5.261   6.095  -4.843
   64   HG22  ILE   7          2HG2      ILE   7  -4.655   7.203  -6.073
   65   HG23  ILE   7          3HG2      ILE   7  -5.462   7.836  -4.630
   66   HD11  ILE   7          1HD1      ILE   7  -5.323   8.163  -2.441
   67   HD12  ILE   7          2HD1      ILE   7  -3.774   8.956  -2.142
   68   HD13  ILE   7          3HD1      ILE   7  -4.418   7.807  -0.972
   69    H    ASN   8           H        ASN   8  -1.579   8.285  -5.913
   70    HA   ASN   8           HA       ASN   8  -2.771   8.214  -8.450
   71    HB2  ASN   8          2HB       ASN   8  -1.828  10.252  -7.214
   72    HB3  ASN   8          1HB       ASN   8  -0.232   9.761  -7.769
   73   HD21  ASN   8          1HD2      ASN   8   0.252   9.952 -10.004
   74   HD22  ASN   8          2HD2      ASN   8  -0.707  10.912 -11.069
   75    H    HIS   9           H        HIS   9   0.192   6.850  -7.311
   76    HA   HIS   9           HA       HIS   9   1.701   6.498  -9.613
   77    HB2  HIS   9          2HB       HIS   9   2.456   6.096  -7.242
   78    HB3  HIS   9          1HB       HIS   9   1.515   4.615  -7.220
   79    HD1  HIS   9           HD1      HIS   9   4.848   5.744  -7.699
   80    HD2  HIS   9           HD2      HIS   9   2.522   2.785  -9.456
   81    HE1  HIS   9           HE1      HIS   9   6.473   4.125  -8.706
   82    HE2  HIS   9           HE2      HIS   9   5.041   2.235  -9.541
   83    H    ILE  10           H        ILE  10  -0.376   3.997  -8.026
   84    HA   ILE  10           HA       ILE  10  -0.374   2.431 -10.488
   85    HB   ILE  10           HB       ILE  10  -1.727   0.758  -9.221
   86   HG12  ILE  10          2HG1      ILE  10  -1.407   1.228  -6.517
   87   HG13  ILE  10          1HG1      ILE  10  -1.723   2.862  -7.075
   88   HG21  ILE  10          1HG2      ILE  10   0.666   0.521  -9.414
   89   HG22  ILE  10          2HG2      ILE  10   0.144  -0.054  -7.831
   90   HG23  ILE  10          3HG2      ILE  10   0.926   1.522  -7.983
   91   HD11  ILE  10          1HD1      ILE  10  -3.729   1.818  -6.326
   92   HD12  ILE  10          2HD1      ILE  10  -3.491   0.454  -7.415
   93   HD13  ILE  10          3HD1      ILE  10  -3.824   2.062  -8.070
   94    H    ALA  11           H        ALA  11  -2.588   4.614  -8.838
   95    HA   ALA  11           HA       ALA  11  -4.999   4.179 -10.082
   96    HB1  ALA  11          1HB       ALA  11  -5.460   6.567  -9.839
   97    HB2  ALA  11          2HB       ALA  11  -3.740   6.897  -9.613
   98    HB3  ALA  11          3HB       ALA  11  -4.624   5.960  -8.408
   99    H    THR  12           H        THR  12  -2.005   5.262 -11.529
  100    HA   THR  12           HA       THR  12  -2.975   6.330 -13.974
  101    HB   THR  12           HB       THR  12  -0.290   5.028 -13.351
  102    HG1  THR  12           HG1      THR  12  -1.304   7.179 -12.350
  103   HG21  THR  12          1HG2      THR  12  -1.048   6.874 -15.658
  104   HG22  THR  12          2HG2      THR  12  -0.617   5.171 -15.801
  105   HG23  THR  12          3HG2      THR  12   0.595   6.331 -15.269
  106    H    GLN  13           H        GLN  13  -1.942   3.047 -13.048
  107    HA   GLN  13           HA       GLN  13  -2.629   1.924 -15.685
  108    HB2  GLN  13          2HB       GLN  13  -1.513  -0.140 -14.902
  109    HB3  GLN  13          1HB       GLN  13  -0.455   1.258 -14.775
  110    HG2  GLN  13          2HG       GLN  13  -0.763   1.360 -12.382
  111    HG3  GLN  13          1HG       GLN  13  -1.995   0.104 -12.435
  112   HE21  GLN  13          1HE2      GLN  13   1.016  -0.074 -14.299
  113   HE22  GLN  13          2HE2      GLN  13   1.693  -1.373 -13.392
  114    H    PHE  14           H        PHE  14  -4.093   2.351 -12.682
  115    HA   PHE  14           HA       PHE  14  -5.782  -0.056 -12.859
  116    HB2  PHE  14          2HB       PHE  14  -4.705   1.572 -10.570
  117    HB3  PHE  14          1HB       PHE  14  -6.344   0.942 -10.364
  118    HD1  PHE  14           HD1      PHE  14  -5.502  -0.369  -8.422
  119    HD2  PHE  14           HD2      PHE  14  -3.949  -1.031 -12.365
  120    HE1  PHE  14           HE1      PHE  14  -4.590  -2.529  -7.721
  121    HE2  PHE  14           HE2      PHE  14  -3.045  -3.187 -11.640
  122    HZ   PHE  14           HZ       PHE  14  -3.365  -3.945  -9.321
  123    H    LEU  15           H        LEU  15  -5.926   3.471 -12.834
  124    HA   LEU  15           HA       LEU  15  -8.903   3.359 -13.017
  125    HB2  LEU  15          2HB       LEU  15  -7.334   5.452 -11.465
  126    HB3  LEU  15          1HB       LEU  15  -9.079   5.295 -11.567
  127    HG   LEU  15           HG       LEU  15  -7.179   3.425 -10.094
  128   HD11  LEU  15          1HD1      LEU  15  -8.258   4.290  -8.086
  129   HD12  LEU  15          2HD1      LEU  15  -9.247   5.391  -9.047
  130   HD13  LEU  15          3HD1      LEU  15  -7.490   5.578  -9.005
  131   HD21  LEU  15          1HD2      LEU  15  -9.199   2.274  -9.246
  132   HD22  LEU  15          2HD2      LEU  15  -9.046   2.112 -10.990
  133   HD23  LEU  15          3HD2      LEU  15 -10.220   3.244 -10.316
  134    H    ASP  16           H        ASP  16  -6.487   3.918 -14.954
  135    HA   ASP  16           HA       ASP  16  -6.189   5.114 -16.874
  136    HB2  ASP  16          2HB       ASP  16  -8.706   4.858 -17.068
  137    HB3  ASP  16          1HB       ASP  16  -8.891   6.400 -16.265
  138    H    GLY  17           H        GLY  17  -5.346   6.087 -14.222
  139    HA2  GLY  17          2HA       GLY  17  -3.914   7.853 -13.653
  140    HA3  GLY  17          1HA       GLY  17  -4.627   8.854 -14.903
  141    H    GLU  18           H        GLU  18  -7.285   7.666 -13.463
  142    HA   GLU  18           HA       GLU  18  -7.742  10.246 -12.199
  143    HB2  GLU  18          2HB       GLU  18  -9.992   9.888 -12.605
  144    HB3  GLU  18          1HB       GLU  18  -9.356   8.740 -13.779
  145    HG2  GLU  18          2HG       GLU  18  -9.689   6.929 -12.052
  146    HG3  GLU  18          1HG       GLU  18 -10.510   8.117 -11.041
  147    H    LYS  19           H        LYS  19  -8.096  10.582 -10.026
  148    HA   LYS  19           HA       LYS  19  -7.824   8.299  -8.169
  149    HB2  LYS  19          2HB       LYS  19  -7.491  11.273  -7.663
  150    HB3  LYS  19          1HB       LYS  19  -7.312   9.997  -6.456
  151    HG2  LYS  19          2HG       LYS  19  -5.496   9.033  -8.081
  152    HG3  LYS  19          1HG       LYS  19  -5.513  10.644  -8.797
  153    HD2  LYS  19          2HD       LYS  19  -5.031  10.083  -5.859
  154    HD3  LYS  19          1HD       LYS  19  -3.748  10.309  -7.045
  155    HE2  LYS  19          2HE       LYS  19  -4.543  12.605  -7.479
  156    HE3  LYS  19          1HE       LYS  19  -5.854  12.374  -6.318
  157    HZ1  LYS  19          1HZ       LYS  19  -2.962  12.279  -5.687
  158    HZ2  LYS  19          2HZ       LYS  19  -4.230  12.110  -4.580
  159    HZ3  LYS  19          3HZ       LYS  19  -3.997  13.578  -5.380
  160    H    ASP  20           H        ASP  20  -9.809   7.513  -7.935
  161    HA   ASP  20           HA       ASP  20 -11.890   9.016  -6.640
  162    HB2  ASP  20          2HB       ASP  20 -12.178   9.682  -9.070
  163    HB3  ASP  20          1HB       ASP  20 -12.445   7.988  -9.471
  164    H    GLY  21           H        GLY  21 -12.559   7.589  -5.172
  165    HA2  GLY  21          2HA       GLY  21 -13.539   5.640  -4.336
  166    HA3  GLY  21          1HA       GLY  21 -13.218   4.815  -5.853
  167    H    LEU  22           H        LEU  22 -10.362   5.931  -5.597
  168    HA   LEU  22           HA       LEU  22  -9.254   3.948  -3.705
  169    HB2  LEU  22          2HB       LEU  22  -8.728   3.570  -6.096
  170    HB3  LEU  22          1HB       LEU  22  -8.076   5.187  -6.218
  171    HG   LEU  22           HG       LEU  22  -6.256   4.511  -4.583
  172   HD11  LEU  22          1HD1      LEU  22  -7.320   1.699  -5.000
  173   HD12  LEU  22          2HD1      LEU  22  -7.384   2.620  -3.495
  174   HD13  LEU  22          3HD1      LEU  22  -5.826   2.136  -4.162
  175   HD21  LEU  22          1HD2      LEU  22  -6.357   2.864  -7.137
  176   HD22  LEU  22          2HD2      LEU  22  -4.916   3.353  -6.239
  177   HD23  LEU  22          3HD2      LEU  22  -5.903   4.571  -7.036
  178    H    ASP  23           H        ASP  23  -8.830   5.034  -1.901
  179    HA   ASP  23           HA       ASP  23  -6.832   7.160  -1.981
  180    HB2  ASP  23          2HB       ASP  23  -8.956   8.419  -1.818
  181    HB3  ASP  23          1HB       ASP  23  -9.467   7.437  -0.450
  182    H    SER  24           H        SER  24  -5.796   7.443   0.152
  183    HA   SER  24           HA       SER  24  -4.915   5.027   1.253
  184    HB2  SER  24          2HB       SER  24  -4.735   7.838   2.412
  185    HB3  SER  24          1HB       SER  24  -3.702   6.474   2.839
  186    HG   SER  24           HG       SER  24  -2.656   6.660   0.980
  187    H    GLN  25           H        GLN  25  -7.294   7.410   2.514
  188    HA   GLN  25           HA       GLN  25  -7.760   5.983   4.989
  189    HB2  GLN  25          2HB       GLN  25  -9.486   8.148   3.713
  190    HB3  GLN  25          1HB       GLN  25  -9.519   7.633   5.398
  191    HG2  GLN  25          2HG       GLN  25  -7.256   8.528   5.730
  192    HG3  GLN  25          1HG       GLN  25  -7.191   9.010   4.032
  193   HE21  GLN  25          1HE2      GLN  25  -6.959  11.190   4.468
  194   HE22  GLN  25          2HE2      GLN  25  -8.214  12.160   5.156
  195    H    THR  26           H        THR  26  -8.897   5.695   1.795
  196    HA   THR  26           HA       THR  26 -11.550   4.760   2.264
  197    HB   THR  26           HB       THR  26  -9.730   4.683  -0.170
  198    HG1  THR  26           HG1      THR  26 -10.581   6.729   0.673
  199   HG21  THR  26          1HG2      THR  26 -11.335   2.863  -0.437
  200   HG22  THR  26          2HG2      THR  26 -11.779   4.198  -1.500
  201   HG23  THR  26          3HG2      THR  26 -12.670   3.932   0.003
  202    HA   PRO  27           HA       PRO  27 -10.520   0.465   3.265
  203    HB2  PRO  27          2HB       PRO  27 -12.971  -0.672   2.833
  204    HB3  PRO  27          1HB       PRO  27 -12.619   0.329   4.265
  205    HG2  PRO  27          2HG       PRO  27 -14.002   1.117   1.712
  206    HG3  PRO  27          1HG       PRO  27 -14.461   1.486   3.387
  207    HD2  PRO  27          2HD       PRO  27 -13.174   3.290   1.848
  208    HD3  PRO  27          1HD       PRO  27 -12.874   3.188   3.591
  209    H    LEU  28           H        LEU  28  -9.133  -0.251   1.723
  210    HA   LEU  28           HA       LEU  28  -9.666  -0.285  -1.070
  211    HB2  LEU  28          2HB       LEU  28  -7.478  -1.762   0.432
  212    HB3  LEU  28          1HB       LEU  28  -7.473  -1.351  -1.274
  213    HG   LEU  28           HG       LEU  28  -7.291   0.619   1.045
  214   HD11  LEU  28          1HD1      LEU  28  -5.009   1.066   0.259
  215   HD12  LEU  28          2HD1      LEU  28  -5.174  -0.193  -0.970
  216   HD13  LEU  28          3HD1      LEU  28  -5.218  -0.617   0.744
  217   HD21  LEU  28          1HD2      LEU  28  -6.930   2.371  -0.664
  218   HD22  LEU  28          2HD2      LEU  28  -8.536   1.657  -0.761
  219   HD23  LEU  28          3HD2      LEU  28  -7.298   1.201  -1.934
  220    H    PHE  29           H        PHE  29  -9.949  -2.760   1.435
  221    HA   PHE  29           HA       PHE  29 -10.405  -4.946  -0.407
  222    HB2  PHE  29          2HB       PHE  29 -10.185  -4.658   2.561
  223    HB3  PHE  29          1HB       PHE  29 -11.247  -5.953   2.031
  224    HD1  PHE  29           HD1      PHE  29  -7.815  -4.593   1.355
  225    HD2  PHE  29           HD2      PHE  29 -10.320  -8.048   1.651
  226    HE1  PHE  29           HE1      PHE  29  -5.885  -6.052   1.013
  227    HE2  PHE  29           HE2      PHE  29  -8.373  -9.497   1.312
  228    HZ   PHE  29           HZ       PHE  29  -6.154  -8.498   0.991
  229    H    GLU  30           H        GLU  30 -12.418  -2.857   1.612
  230    HA   GLU  30           HA       GLU  30 -14.848  -4.288   1.353
  231    HB2  GLU  30          2HB       GLU  30 -14.523  -2.565   3.087
  232    HB3  GLU  30          1HB       GLU  30 -14.374  -1.320   1.855
  233    HG2  GLU  30          2HG       GLU  30 -16.575  -1.245   2.936
  234    HG3  GLU  30          1HG       GLU  30 -16.722  -1.626   1.219
  235    H    LEU  31           H        LEU  31 -13.426  -1.642  -0.510
  236    HA   LEU  31           HA       LEU  31 -15.652  -1.643  -2.425
  237    HB2  LEU  31          2HB       LEU  31 -13.171   0.105  -2.410
  238    HB3  LEU  31          1HB       LEU  31 -14.616   0.341  -3.380
  239    HG   LEU  31           HG       LEU  31 -14.255   0.796  -0.399
  240   HD11  LEU  31          1HD1      LEU  31 -15.206   2.660  -2.594
  241   HD12  LEU  31          2HD1      LEU  31 -13.580   2.610  -1.910
  242   HD13  LEU  31          3HD1      LEU  31 -14.945   3.068  -0.894
  243   HD21  LEU  31          1HD2      LEU  31 -16.920   0.756  -1.875
  244   HD22  LEU  31          2HD2      LEU  31 -16.665   1.336  -0.227
  245   HD23  LEU  31          3HD2      LEU  31 -16.400  -0.362  -0.609
  246    H    ASN  32           H        ASN  32 -12.568  -3.050  -2.017
  247    HA   ASN  32           HA       ASN  32 -11.274  -4.458  -3.227
  248    HB2  ASN  32          2HB       ASN  32 -13.811  -4.750  -4.901
  249    HB3  ASN  32          1HB       ASN  32 -12.405  -5.792  -5.072
  250   HD21  ASN  32          1HD2      ASN  32 -15.096  -4.931  -3.023
  251   HD22  ASN  32          2HD2      ASN  32 -15.008  -6.321  -2.008
  252    H    ILE  33           H        ILE  33 -11.019  -1.684  -3.840
  253    HA   ILE  33           HA       ILE  33 -11.083  -1.196  -6.658
  254    HB   ILE  33           HB       ILE  33  -9.593   0.383  -4.523
  255   HG12  ILE  33          2HG1      ILE  33 -12.038   0.190  -4.016
  256   HG13  ILE  33          1HG1      ILE  33 -11.572   1.843  -4.393
  257   HG21  ILE  33          1HG2      ILE  33  -9.793   2.275  -6.159
  258   HG22  ILE  33          2HG2      ILE  33 -10.454   1.151  -7.346
  259   HG23  ILE  33          3HG2      ILE  33  -8.800   0.950  -6.765
  260   HD11  ILE  33          1HD1      ILE  33 -12.964  -0.075  -6.258
  261   HD12  ILE  33          2HD1      ILE  33 -12.495   1.583  -6.646
  262   HD13  ILE  33          3HD1      ILE  33 -13.696   1.278  -5.394
  263    H    VAL  34           H        VAL  34  -8.371  -1.622  -4.354
  264    HA   VAL  34           HA       VAL  34  -6.470  -1.836  -6.573
  265    HB   VAL  34           HB       VAL  34  -5.874  -0.536  -4.517
  266   HG11  VAL  34          1HG1      VAL  34  -6.861  -1.976  -2.776
  267   HG12  VAL  34          2HG1      VAL  34  -5.159  -1.658  -2.447
  268   HG13  VAL  34          3HG1      VAL  34  -5.651  -3.221  -3.105
  269   HG21  VAL  34          1HG2      VAL  34  -3.974  -2.824  -5.141
  270   HG22  VAL  34          2HG2      VAL  34  -3.528  -1.312  -4.346
  271   HG23  VAL  34          3HG2      VAL  34  -4.099  -1.296  -6.016
  272    H    ASP  35           H        ASP  35  -5.607  -3.680  -7.300
  273    HA   ASP  35           HA       ASP  35  -6.462  -6.273  -6.326
  274    HB2  ASP  35          2HB       ASP  35  -6.372  -5.833  -8.764
  275    HB3  ASP  35          1HB       ASP  35  -4.662  -5.493  -8.670
  276    H    SER  36           H        SER  36  -4.782  -7.961  -6.116
  277    HA   SER  36           HA       SER  36  -3.155  -7.281  -3.885
  278    HB2  SER  36          2HB       SER  36  -2.871  -9.596  -3.596
  279    HB3  SER  36          1HB       SER  36  -4.437  -9.504  -4.400
  280    H    ALA  37           H        ALA  37  -2.541  -7.487  -7.279
  281    HA   ALA  37           HA       ALA  37   0.248  -8.052  -7.313
  282    HB1  ALA  37          1HB       ALA  37   0.210  -7.189  -9.625
  283    HB2  ALA  37          2HB       ALA  37  -1.399  -6.510  -9.362
  284    HB3  ALA  37          3HB       ALA  37  -1.165  -8.258  -9.333
  285    H    ALA  38           H        ALA  38  -1.613  -5.001  -7.291
  286    HA   ALA  38           HA       ALA  38   0.604  -3.224  -7.529
  287    HB1  ALA  38          1HB       ALA  38  -1.007  -1.445  -6.947
  288    HB2  ALA  38          2HB       ALA  38  -2.192  -2.678  -6.513
  289    HB3  ALA  38          3HB       ALA  38  -1.648  -2.533  -8.182
  290    H    ILE  39           H        ILE  39  -0.669  -4.985  -4.827
  291    HA   ILE  39           HA       ILE  39   0.160  -3.508  -2.619
  292    HB   ILE  39           HB       ILE  39   0.298  -6.525  -3.049
  293   HG12  ILE  39          2HG1      ILE  39  -1.970  -5.588  -3.194
  294   HG13  ILE  39          1HG1      ILE  39  -1.813  -6.573  -1.748
  295   HG21  ILE  39          1HG2      ILE  39   0.643  -5.034  -0.410
  296   HG22  ILE  39          2HG2      ILE  39   1.863  -6.010  -1.235
  297   HG23  ILE  39          3HG2      ILE  39   0.425  -6.780  -0.561
  298   HD11  ILE  39          1HD1      ILE  39  -1.626  -4.569  -0.386
  299   HD12  ILE  39          2HD1      ILE  39  -3.103  -4.564  -1.349
  300   HD13  ILE  39          3HD1      ILE  39  -1.738  -3.559  -1.835
  301    H    PHE  40           H        PHE  40   2.075  -5.686  -4.719
  302    HA   PHE  40           HA       PHE  40   4.548  -5.503  -3.358
  303    HB2  PHE  40          2HB       PHE  40   3.930  -7.249  -5.051
  304    HB3  PHE  40          1HB       PHE  40   4.041  -6.045  -6.324
  305    HD1  PHE  40           HD1      PHE  40   6.041  -7.829  -3.725
  306    HD2  PHE  40           HD2      PHE  40   6.181  -5.593  -7.369
  307    HE1  PHE  40           HE1      PHE  40   8.426  -8.367  -3.978
  308    HE2  PHE  40           HE2      PHE  40   8.568  -6.137  -7.608
  309    HZ   PHE  40           HZ       PHE  40   9.691  -7.528  -5.914
  310    H    ASP  41           H        ASP  41   2.986  -3.296  -5.583
  311    HA   ASP  41           HA       ASP  41   5.314  -1.694  -6.184
  312    HB2  ASP  41          2HB       ASP  41   3.392  -1.778  -7.742
  313    HB3  ASP  41          1HB       ASP  41   2.344  -1.072  -6.514
  314    H    LEU  42           H        LEU  42   2.394  -1.208  -4.192
  315    HA   LEU  42           HA       LEU  42   3.083   1.210  -2.930
  316    HB2  LEU  42          2HB       LEU  42   1.125  -1.009  -2.278
  317    HB3  LEU  42          1HB       LEU  42   1.374   0.285  -1.121
  318    HG   LEU  42           HG       LEU  42   0.601   1.966  -2.751
  319   HD11  LEU  42          1HD1      LEU  42  -0.366   1.413  -4.908
  320   HD12  LEU  42          2HD1      LEU  42   0.060  -0.286  -4.694
  321   HD13  LEU  42          3HD1      LEU  42   1.329   0.930  -4.847
  322   HD21  LEU  42          1HD2      LEU  42  -1.367  -0.321  -2.426
  323   HD22  LEU  42          2HD2      LEU  42  -1.784   1.344  -2.838
  324   HD23  LEU  42          3HD2      LEU  42  -1.063   0.984  -1.273
  325    H    VAL  43           H        VAL  43   3.917  -2.073  -2.250
  326    HA   VAL  43           HA       VAL  43   4.995  -2.006   0.310
  327    HB   VAL  43           HB       VAL  43   5.551  -3.618  -2.192
  328   HG11  VAL  43          1HG1      VAL  43   7.211  -5.066  -1.082
  329   HG12  VAL  43          2HG1      VAL  43   7.261  -3.936   0.272
  330   HG13  VAL  43          3HG1      VAL  43   7.802  -3.422  -1.324
  331   HG21  VAL  43          1HG2      VAL  43   4.783  -5.535  -0.950
  332   HG22  VAL  43          2HG2      VAL  43   3.626  -4.214  -0.743
  333   HG23  VAL  43          3HG2      VAL  43   4.762  -4.603   0.549
  334    H    ASP  44           H        ASP  44   6.728  -1.579  -2.809
  335    HA   ASP  44           HA       ASP  44   9.198  -0.974  -1.542
  336    HB2  ASP  44          2HB       ASP  44   8.296  -0.799  -4.445
  337    HB3  ASP  44          1HB       ASP  44   9.938  -0.382  -3.949
  338    H    PHE  45           H        PHE  45   6.569   1.028  -2.617
  339    HA   PHE  45           HA       PHE  45   7.856   3.547  -2.591
  340    HB2  PHE  45          2HB       PHE  45   5.496   2.988  -3.441
  341    HB3  PHE  45          1HB       PHE  45   4.976   2.974  -1.764
  342    HD1  PHE  45           HD1      PHE  45   5.882   5.085  -4.627
  343    HD2  PHE  45           HD2      PHE  45   4.970   5.134  -0.433
  344    HE1  PHE  45           HE1      PHE  45   5.517   7.521  -4.718
  345    HE2  PHE  45           HE2      PHE  45   4.613   7.566  -0.549
  346    HZ   PHE  45           HZ       PHE  45   4.884   8.757  -2.686
  347    H    LEU  46           H        LEU  46   6.217   1.640  -0.043
  348    HA   LEU  46           HA       LEU  46   6.726   3.440   2.113
  349    HB2  LEU  46          2HB       LEU  46   6.023   0.481   2.141
  350    HB3  LEU  46          1HB       LEU  46   6.083   1.482   3.580
  351    HG   LEU  46           HG       LEU  46   4.096   1.651   1.284
  352   HD11  LEU  46          1HD1      LEU  46   3.644   1.122   4.235
  353   HD12  LEU  46          2HD1      LEU  46   3.614  -0.079   2.944
  354   HD13  LEU  46          3HD1      LEU  46   2.403   1.198   2.980
  355   HD21  LEU  46          1HD2      LEU  46   4.362   3.617   3.589
  356   HD22  LEU  46          2HD2      LEU  46   3.038   3.570   2.422
  357   HD23  LEU  46          3HD2      LEU  46   4.668   3.955   1.883
  358    H    ARG  47           H        ARG  47   8.567   0.720   0.746
  359    HA   ARG  47           HA       ARG  47  10.356   0.331   2.950
  360    HB2  ARG  47          2HB       ARG  47  11.081  -0.263   0.041
  361    HB3  ARG  47          1HB       ARG  47  11.753  -1.003   1.486
  362    HG2  ARG  47          2HG       ARG  47   9.178  -1.563   0.073
  363    HG3  ARG  47          1HG       ARG  47  10.396  -2.691   0.649
  364    HD2  ARG  47          2HD       ARG  47   8.477  -1.138   2.405
  365    HD3  ARG  47          1HD       ARG  47   8.233  -2.794   1.871
  366    HE   ARG  47           HE       ARG  47  10.719  -2.438   3.264
  367   HH11  ARG  47          1HH1      ARG  47   7.275  -2.837   3.810
  368   HH12  ARG  47          2HH1      ARG  47   7.495  -3.560   5.363
  369   HH21  ARG  47          1HH2      ARG  47  10.971  -3.578   5.216
  370   HH22  ARG  47          2HH2      ARG  47   9.575  -3.989   6.160
  371    H    GLN  48           H        GLN  48  10.401   2.221   0.055
  372    HA   GLN  48           HA       GLN  48  12.967   3.259  -0.107
  373    HB2  GLN  48          2HB       GLN  48  11.331   3.380  -1.907
  374    HB3  GLN  48          1HB       GLN  48  10.234   4.325  -0.913
  375    HG2  GLN  48          2HG       GLN  48  11.942   6.192  -0.969
  376    HG3  GLN  48          1HG       GLN  48  12.840   5.233  -2.146
  377   HE21  GLN  48          1HE2      GLN  48   9.301   5.450  -1.952
  378   HE22  GLN  48          2HE2      GLN  48   9.095   6.263  -3.459
  379    H    GLU  49           H        GLU  49  10.068   4.582   1.437
  380    HA   GLU  49           HA       GLU  49  11.329   7.015   2.335
  381    HB2  GLU  49          2HB       GLU  49   8.555   5.824   2.752
  382    HB3  GLU  49          1HB       GLU  49   9.027   7.419   3.343
  383    HG2  GLU  49          2HG       GLU  49   8.914   6.528   0.443
  384    HG3  GLU  49          1HG       GLU  49   7.797   7.632   1.247
  385    H    SER  50           H        SER  50  10.090   4.063   3.877
  386    HA   SER  50           HA       SER  50  10.701   4.977   6.557
  387    HB2  SER  50          2HB       SER  50   8.684   3.565   5.976
  388    HB3  SER  50          1HB       SER  50   9.778   2.213   5.674
  389    HG   SER  50           HG       SER  50   9.185   3.527   8.094
  390    H    LYS  51           H        LYS  51  12.546   3.585   4.105
  391    HA   LYS  51           HA       LYS  51  14.721   3.011   3.957
  392    HB2  LYS  51          2HB       LYS  51  14.835   3.988   6.841
  393    HB3  LYS  51          1HB       LYS  51  16.248   3.671   5.840
  394    HG2  LYS  51          2HG       LYS  51  14.120   5.762   5.276
  395    HG3  LYS  51          1HG       LYS  51  15.719   6.076   5.952
  396    HD2  LYS  51          2HD       LYS  51  16.783   5.295   3.873
  397    HD3  LYS  51          1HD       LYS  51  15.203   4.881   3.198
  398    HE2  LYS  51          2HE       LYS  51  16.126   7.678   3.940
  399    HE3  LYS  51          1HE       LYS  51  16.040   7.018   2.307
  400    HZ1  LYS  51          1HZ       LYS  51  13.714   7.362   4.123
  401    HZ2  LYS  51          2HZ       LYS  51  13.663   6.799   2.530
  402    HZ3  LYS  51          3HZ       LYS  51  14.117   8.395   2.848
  403    H    VAL  52           H        VAL  52  12.898   0.978   4.507
  404    HA   VAL  52           HA       VAL  52  14.537  -1.004   5.982
  405    HB   VAL  52           HB       VAL  52  12.807  -0.352   7.556
  406   HG11  VAL  52          1HG1      VAL  52  10.723  -0.982   5.425
  407   HG12  VAL  52          2HG1      VAL  52  11.148   0.625   6.016
  408   HG13  VAL  52          3HG1      VAL  52  10.381  -0.535   7.101
  409   HG21  VAL  52          1HG2      VAL  52  13.400  -2.749   7.511
  410   HG22  VAL  52          2HG2      VAL  52  12.105  -3.063   6.354
  411   HG23  VAL  52          3HG2      VAL  52  11.714  -2.531   7.991
  412    H    SER  53           H        SER  53  14.694  -2.936   4.992
  413    HA   SER  53           HA       SER  53  13.586  -3.295   2.314
  414    HB2  SER  53          2HB       SER  53  15.517  -5.067   3.895
  415    HB3  SER  53          1HB       SER  53  15.168  -5.173   2.167
  416    HG   SER  53           HG       SER  53  16.957  -3.966   2.212
  417    H    ILE  54           H        ILE  54  12.632  -5.486   1.717
  418    HA   ILE  54           HA       ILE  54  10.893  -6.499   3.893
  419    HB   ILE  54           HB       ILE  54   9.781  -4.674   2.563
  420   HG12  ILE  54          2HG1      ILE  54   8.335  -7.341   2.298
  421   HG13  ILE  54          1HG1      ILE  54   8.535  -6.482   3.816
  422   HG21  ILE  54          1HG2      ILE  54   8.904  -5.148   0.336
  423   HG22  ILE  54          2HG2      ILE  54   9.824  -6.652   0.278
  424   HG23  ILE  54          3HG2      ILE  54  10.667  -5.102   0.351
  425   HD11  ILE  54          1HD1      ILE  54   6.352  -6.113   2.928
  426   HD12  ILE  54          2HD1      ILE  54   7.016  -5.515   1.412
  427   HD13  ILE  54          3HD1      ILE  54   7.255  -4.600   2.902
  428    H    GLY  55           H        GLY  55  10.158  -8.573   3.732
  429    HA2  GLY  55          2HA       GLY  55  10.901 -10.228   1.366
  430    HA3  GLY  55          1HA       GLY  55  10.664 -10.841   2.996
  431    H    MET  56           H        MET  56   9.251 -11.959   0.852
  432    HA   MET  56           HA       MET  56   6.666 -10.923   0.402
  433    HB2  MET  56          2HB       MET  56   7.830 -13.710   0.200
  434    HB3  MET  56          1HB       MET  56   6.128 -13.423  -0.142
  435    HG2  MET  56          2HG       MET  56   8.426 -12.073  -1.587
  436    HG3  MET  56          1HG       MET  56   7.510 -13.465  -2.181
  437    HE1  MET  56          1HE       MET  56   7.013 -12.063  -4.433
  438    HE2  MET  56          2HE       MET  56   7.851 -10.642  -3.802
  439    HE3  MET  56          3HE       MET  56   6.212 -10.489  -4.444
  440    H    GLN  57           H        GLN  57   7.925 -12.267   3.271
  441    HA   GLN  57           HA       GLN  57   5.647 -13.393   4.510
  442    HB2  GLN  57          2HB       GLN  57   7.970 -11.903   5.825
  443    HB3  GLN  57          1HB       GLN  57   6.893 -13.045   6.621
  444    HG2  GLN  57          2HG       GLN  57   8.872 -13.712   4.417
  445    HG3  GLN  57          1HG       GLN  57   9.099 -14.037   6.133
  446   HE21  GLN  57          1HE2      GLN  57   9.092 -15.907   3.888
  447   HE22  GLN  57          2HE2      GLN  57   7.862 -17.069   4.227
  448    H    GLU  58           H        GLU  58   6.878 -10.062   4.318
  449    HA   GLU  58           HA       GLU  58   4.813  -8.945   6.064
  450    HB2  GLU  58          2HB       GLU  58   6.945  -7.521   4.423
  451    HB3  GLU  58          1HB       GLU  58   6.010  -6.825   5.740
  452    HG2  GLU  58          2HG       GLU  58   7.233  -7.954   7.382
  453    HG3  GLU  58          1HG       GLU  58   7.786  -9.201   6.263
  454    H    ILE  59           H        ILE  59   5.529  -9.309   2.649
  455    HA   ILE  59           HA       ILE  59   3.742  -7.314   1.625
  456    HB   ILE  59           HB       ILE  59   4.815  -9.766   0.154
  457   HG12  ILE  59          2HG1      ILE  59   5.992  -6.962   0.383
  458   HG13  ILE  59          1HG1      ILE  59   6.684  -8.438   1.040
  459   HG21  ILE  59          1HG2      ILE  59   2.892  -8.705  -0.994
  460   HG22  ILE  59          2HG2      ILE  59   4.374  -8.504  -1.922
  461   HG23  ILE  59          3HG2      ILE  59   3.729  -7.153  -0.982
  462   HD11  ILE  59          1HD1      ILE  59   6.376  -7.761  -1.876
  463   HD12  ILE  59          2HD1      ILE  59   7.067  -9.255  -1.232
  464   HD13  ILE  59          3HD1      ILE  59   7.865  -7.712  -0.930
  465    H    HIS  60           H        HIS  60   1.829  -7.631   2.692
  466    HA   HIS  60           HA       HIS  60   0.089  -9.776   1.712
  467    HB2  HIS  60          2HB       HIS  60   0.741  -9.190   4.588
  468    HB3  HIS  60          1HB       HIS  60  -0.956  -9.473   4.222
  469    HD1  HIS  60           HD1      HIS  60   2.398 -11.260   3.848
  470    HD2  HIS  60           HD2      HIS  60  -1.691 -12.034   4.052
  471    HE1  HIS  60           HE1      HIS  60   2.208 -13.756   4.066
  472    HE2  HIS  60           HE2      HIS  60  -0.278 -14.215   4.007
  473    HA   PRO  61           HA       PRO  61  -2.416  -6.097   0.993
  474    HB2  PRO  61          2HB       PRO  61  -4.708  -7.402   0.158
  475    HB3  PRO  61          1HB       PRO  61  -3.311  -7.125  -0.889
  476    HG2  PRO  61          2HG       PRO  61  -4.092  -9.607   0.583
  477    HG3  PRO  61          1HG       PRO  61  -3.432  -9.427  -1.059
  478    HD2  PRO  61          2HD       PRO  61  -1.888 -10.179   1.063
  479    HD3  PRO  61          1HD       PRO  61  -1.242  -9.240  -0.296
  480    H    ALA  62           H        ALA  62  -3.196  -8.819   3.085
  481    HA   ALA  62           HA       ALA  62  -5.287  -7.856   4.631
  482    HB1  ALA  62          1HB       ALA  62  -2.906  -9.484   5.566
  483    HB2  ALA  62          2HB       ALA  62  -4.394 -10.133   4.875
  484    HB3  ALA  62          3HB       ALA  62  -4.434  -9.316   6.438
  485    H    ASN  63           H        ASN  63  -1.840  -7.219   4.835
  486    HA   ASN  63           HA       ASN  63  -2.006  -5.493   7.169
  487    HB2  ASN  63          2HB       ASN  63   0.310  -6.284   5.348
  488    HB3  ASN  63          1HB       ASN  63   0.484  -5.270   6.777
  489   HD21  ASN  63          1HD2      ASN  63   1.703  -7.854   6.181
  490   HD22  ASN  63          2HD2      ASN  63   1.233  -8.916   7.463
  491    H    PHE  64           H        PHE  64  -1.787  -5.163   3.680
  492    HA   PHE  64           HA       PHE  64  -1.431  -2.238   3.792
  493    HB2  PHE  64          2HB       PHE  64  -1.301  -4.242   1.479
  494    HB3  PHE  64          1HB       PHE  64  -1.223  -2.502   1.249
  495    HD1  PHE  64           HD1      PHE  64   0.592  -5.428   2.634
  496    HD2  PHE  64           HD2      PHE  64   0.851  -1.296   1.618
  497    HE1  PHE  64           HE1      PHE  64   3.022  -5.559   2.820
  498    HE2  PHE  64           HE2      PHE  64   3.300  -1.427   1.822
  499    HZ   PHE  64           HZ       PHE  64   4.408  -3.562   2.379
  500    H    ALA  65           H        ALA  65  -3.963  -3.724   4.575
  501    HA   ALA  65           HA       ALA  65  -5.945  -3.625   2.559
  502    HB1  ALA  65          1HB       ALA  65  -6.135  -5.027   4.570
  503    HB2  ALA  65          2HB       ALA  65  -7.555  -3.999   4.376
  504    HB3  ALA  65          3HB       ALA  65  -6.320  -3.584   5.571
  505    H    THR  66           H        THR  66  -4.908  -1.231   4.896
  506    HA   THR  66           HA       THR  66  -6.291   0.923   3.474
  507    HB   THR  66           HB       THR  66  -7.085   1.969   5.668
  508    HG1  THR  66           HG1      THR  66  -6.735  -0.656   6.714
  509   HG21  THR  66          1HG2      THR  66  -9.156   0.662   5.930
  510   HG22  THR  66          2HG2      THR  66  -8.444  -0.672   5.024
  511   HG23  THR  66          3HG2      THR  66  -8.763   0.864   4.218
  512    H    VAL  67           H        VAL  67  -5.548   3.113   4.610
  513    HA   VAL  67           HA       VAL  67  -2.703   3.182   4.700
  514    HB   VAL  67           HB       VAL  67  -4.077   5.173   4.081
  515   HG11  VAL  67          1HG1      VAL  67  -5.004   6.689   5.801
  516   HG12  VAL  67          2HG1      VAL  67  -4.645   5.493   7.049
  517   HG13  VAL  67          3HG1      VAL  67  -5.827   5.125   5.790
  518   HG21  VAL  67          1HG2      VAL  67  -2.054   5.688   6.294
  519   HG22  VAL  67          2HG2      VAL  67  -2.589   6.874   5.098
  520   HG23  VAL  67          3HG2      VAL  67  -1.693   5.445   4.581
  521    H    GLN  68           H        GLN  68  -5.155   3.128   7.277
  522    HA   GLN  68           HA       GLN  68  -3.370   3.613   9.443
  523    HB2  GLN  68          2HB       GLN  68  -5.255   2.936  10.895
  524    HB3  GLN  68          1HB       GLN  68  -5.778   4.070   9.656
  525    HG2  GLN  68          2HG       GLN  68  -6.730   2.212   8.348
  526    HG3  GLN  68          1HG       GLN  68  -6.195   1.065   9.577
  527   HE21  GLN  68          1HE2      GLN  68  -8.267   0.342  10.033
  528   HE22  GLN  68          2HE2      GLN  68  -9.446   1.307  10.844
  529    H    SER  69           H        SER  69  -4.490   0.711   7.780
  530    HA   SER  69           HA       SER  69  -3.374  -1.220   9.545
  531    HB2  SER  69          2HB       SER  69  -4.031  -1.456   6.577
  532    HB3  SER  69          1HB       SER  69  -3.698  -2.810   7.662
  533    HG   SER  69           HG       SER  69  -5.533  -1.667   8.917
  534    H    MET  70           H        MET  70  -2.179   0.333   6.527
  535    HA   MET  70           HA       MET  70   0.155  -1.340   6.396
  536    HB2  MET  70          2HB       MET  70   0.708  -0.256   4.341
  537    HB3  MET  70          1HB       MET  70  -1.036  -0.438   4.355
  538    HG2  MET  70          2HG       MET  70  -1.287   1.940   4.932
  539    HG3  MET  70          1HG       MET  70   0.465   2.126   4.942
  540    HE1  MET  70          1HE       MET  70  -1.655  -0.048   2.355
  541    HE2  MET  70          2HE       MET  70  -1.972   1.170   1.118
  542    HE3  MET  70          3HE       MET  70  -2.693   1.333   2.721
  543    H    VAL  71           H        VAL  71  -0.462   1.977   7.520
  544    HA   VAL  71           HA       VAL  71   2.281   2.741   7.749
  545    HB   VAL  71           HB       VAL  71   0.373   4.401   7.667
  546   HG11  VAL  71          1HG1      VAL  71  -0.036   3.735  10.594
  547   HG12  VAL  71          2HG1      VAL  71  -1.163   3.377   9.289
  548   HG13  VAL  71          3HG1      VAL  71  -0.816   5.054   9.719
  549   HG21  VAL  71          1HG2      VAL  71   2.657   5.122   8.261
  550   HG22  VAL  71          2HG2      VAL  71   2.336   4.778   9.961
  551   HG23  VAL  71          3HG2      VAL  71   1.460   6.074   9.144
  552    H    ALA  72           H        ALA  72  -0.046   1.248   9.924
  553    HA   ALA  72           HA       ALA  72   1.624   1.284  12.266
  554    HB1  ALA  72          1HB       ALA  72  -0.818   1.320  12.457
  555    HB2  ALA  72          2HB       ALA  72  -0.154  -0.101  13.267
  556    HB3  ALA  72          3HB       ALA  72  -0.921  -0.266  11.684
  557    H    LEU  73           H        LEU  73   0.902  -0.980   9.651
  558    HA   LEU  73           HA       LEU  73   2.148  -3.331  10.515
  559    HB2  LEU  73          2HB       LEU  73   0.950  -3.680   8.543
  560    HB3  LEU  73          1HB       LEU  73   1.314  -2.083   7.927
  561    HG   LEU  73           HG       LEU  73   3.692  -3.006   7.470
  562   HD11  LEU  73          1HD1      LEU  73   3.573  -5.054   8.734
  563   HD12  LEU  73          2HD1      LEU  73   3.859  -5.418   7.035
  564   HD13  LEU  73          3HD1      LEU  73   2.252  -5.656   7.726
  565   HD21  LEU  73          1HD2      LEU  73   1.357  -3.925   5.773
  566   HD22  LEU  73          2HD2      LEU  73   3.035  -3.792   5.242
  567   HD23  LEU  73          3HD2      LEU  73   2.147  -2.348   5.723
  568    H    VAL  74           H        VAL  74   3.343  -0.511   8.719
  569    HA   VAL  74           HA       VAL  74   6.019  -1.173   8.398
  570    HB   VAL  74           HB       VAL  74   4.681   1.547   8.725
  571   HG11  VAL  74          1HG1      VAL  74   7.003   1.838   9.482
  572   HG12  VAL  74          2HG1      VAL  74   6.771   2.628   7.924
  573   HG13  VAL  74          3HG1      VAL  74   7.604   1.074   8.009
  574   HG21  VAL  74          1HG2      VAL  74   4.117   0.302   6.666
  575   HG22  VAL  74          2HG2      VAL  74   5.824   0.158   6.262
  576   HG23  VAL  74          3HG2      VAL  74   5.053   1.745   6.277
  577    H    GLN  75           H        GLN  75   4.473   0.570  11.124
  578    HA   GLN  75           HA       GLN  75   6.869   1.079  12.589
  579    HB2  GLN  75          2HB       GLN  75   4.048   0.805  13.747
  580    HB3  GLN  75          1HB       GLN  75   5.402   1.675  14.465
  581    HG2  GLN  75          2HG       GLN  75   5.337   3.302  12.591
  582    HG3  GLN  75          1HG       GLN  75   3.973   2.426  11.899
  583   HE21  GLN  75          1HE2      GLN  75   4.062   5.190  12.728
  584   HE22  GLN  75          2HE2      GLN  75   2.847   5.385  13.940
  585    H    ARG  76           H        ARG  76   4.817  -1.756  12.395
  586    HA   ARG  76           HA       ARG  76   5.777  -3.135  14.725
  587    HB2  ARG  76          2HB       ARG  76   4.409  -4.170  12.200
  588    HB3  ARG  76          1HB       ARG  76   4.728  -5.160  13.625
  589    HG2  ARG  76          2HG       ARG  76   3.218  -3.842  14.972
  590    HG3  ARG  76          1HG       ARG  76   3.042  -2.641  13.692
  591    HD2  ARG  76          2HD       ARG  76   1.975  -4.395  12.258
  592    HD3  ARG  76          1HD       ARG  76   2.043  -5.507  13.632
  593    HE   ARG  76           HE       ARG  76   0.747  -3.356  14.655
  594   HH11  ARG  76          1HH1      ARG  76   0.118  -5.283  11.791
  595   HH12  ARG  76          2HH1      ARG  76  -1.592  -4.998  11.837
  596   HH21  ARG  76          1HH2      ARG  76  -1.485  -2.975  14.672
  597   HH22  ARG  76          2HH2      ARG  76  -2.494  -3.700  13.453
  598    H    LEU  77           H        LEU  77   6.411  -3.567  11.201
  599    HA   LEU  77           HA       LEU  77   8.491  -5.484  11.528
  600    HB2  LEU  77          2HB       LEU  77   8.910  -5.157   9.067
  601    HB3  LEU  77          1HB       LEU  77   7.252  -5.532   9.492
  602    HG   LEU  77           HG       LEU  77   6.850  -2.957   9.346
  603   HD11  LEU  77          1HD1      LEU  77   8.237  -1.744   7.694
  604   HD12  LEU  77          2HD1      LEU  77   9.419  -3.055   7.743
  605   HD13  LEU  77          3HD1      LEU  77   9.079  -2.105   9.201
  606   HD21  LEU  77          1HD2      LEU  77   5.830  -4.554   7.847
  607   HD22  LEU  77          2HD2      LEU  77   7.266  -4.564   6.820
  608   HD23  LEU  77          3HD2      LEU  77   6.295  -3.095   6.977
  609    H    LYS  78           H        LYS  78   8.555  -2.052  11.736
  610    HA   LYS  78           HA       LYS  78  11.238  -1.455  11.104
  611    HB2  LYS  78          2HB       LYS  78   9.298  -0.178  13.053
  612    HB3  LYS  78          1HB       LYS  78  10.891   0.491  12.752
  613    HG2  LYS  78          2HG       LYS  78   8.586   0.251  10.821
  614    HG3  LYS  78          1HG       LYS  78   9.275   1.728  11.469
  615    HD2  LYS  78          2HD       LYS  78  10.839  -0.172   9.693
  616    HD3  LYS  78          1HD       LYS  78   9.843   1.124   9.043
  617    HE2  LYS  78          2HE       LYS  78  12.032   1.997   9.096
  618    HE3  LYS  78          1HE       LYS  78  11.236   2.713  10.496
  619    HZ1  LYS  78          1HZ       LYS  78  13.402   2.000  11.094
  620    HZ2  LYS  78          2HZ       LYS  78  13.151   0.454  10.478
  621    HZ3  LYS  78          3HZ       LYS  78  12.309   0.963  11.851
  622    H    ALA  79           H        ALA  79   9.720  -2.630  14.064
  623    HA   ALA  79           HA       ALA  79  12.018  -2.539  15.743
  624    HB1  ALA  79          1HB       ALA  79  10.671  -3.924  17.285
  625    HB2  ALA  79          2HB       ALA  79   9.490  -4.213  16.002
  626    HB3  ALA  79          3HB       ALA  79   9.719  -2.584  16.640
  627    H    HIS  80           H        HIS  80  11.089  -4.641  13.204
  628    HA   HIS  80           HA       HIS  80  12.561  -6.987  14.151
  629    HB2  HIS  80          2HB       HIS  80  10.925  -6.484  11.619
  630    HB3  HIS  80          1HB       HIS  80  11.730  -8.006  11.991
  631    HD1  HIS  80           HD1      HIS  80  10.000  -9.633  12.695
  632    HD2  HIS  80           HD2      HIS  80   9.218  -5.842  14.188
  633    HE1  HIS  80           HE1      HIS  80   7.888  -9.853  14.028
  634    HE2  HIS  80           HE2      HIS  80   7.333  -7.501  14.746
  635    HA   PRO  81           HA       PRO  81  16.262  -5.323  12.082
  636    HB2  PRO  81          2HB       PRO  81  17.557  -7.909  12.815
  637    HB3  PRO  81          1HB       PRO  81  17.943  -6.264  13.363
  638    HG2  PRO  81          2HG       PRO  81  16.825  -8.053  15.025
  639    HG3  PRO  81          1HG       PRO  81  16.429  -6.320  15.113
  640    HD2  PRO  81          2HD       PRO  81  14.837  -8.546  13.827
  641    HD3  PRO  81          1HD       PRO  81  14.281  -7.223  14.883
  642    H    GLU  82           H        GLU  82  15.944  -8.869  11.679
  643    HA   GLU  82           HA       GLU  82  15.551  -8.575   8.785
  644    HB2  GLU  82          2HB       GLU  82  17.999  -8.961   9.087
  645    HB3  GLU  82          1HB       GLU  82  17.663 -10.430  10.001
  646    HG2  GLU  82          2HG       GLU  82  16.491 -11.330   7.922
  647    HG3  GLU  82          1HG       GLU  82  17.100  -9.921   7.055
  648    H    GLN  83           H        GLN  83  14.294 -10.171   7.918
  649    HA   GLN  83           HA       GLN  83  13.487 -12.560   9.325
  650    HB2  GLN  83          2HB       GLN  83  10.978 -11.864   9.128
  651    HB3  GLN  83          1HB       GLN  83  11.909 -11.228  10.477
  652    HG2  GLN  83          2HG       GLN  83  12.178  -9.078   9.332
  653    HG3  GLN  83          1HG       GLN  83  11.323  -9.708   7.917
  654   HE21  GLN  83          1HE2      GLN  83   9.930  -7.831   8.285
  655   HE22  GLN  83          2HE2      GLN  83   8.647  -7.942   9.437
  656    H    GLY  84           H        GLY  84  12.501 -14.036   7.965
  657    HA2  GLY  84          2HA       GLY  84  11.265 -14.059   5.642
  658    HA3  GLY  84          1HA       GLY  84  12.868 -13.586   5.084
  659    H    GLY  85           H        GLY  85  14.468 -15.073   6.795
  660    HA2  GLY  85          2HA       GLY  85  15.334 -17.139   7.266
  661    HA3  GLY  85          1HA       GLY  85  13.741 -17.840   7.025
  662    H    ALA  86           H        ALA  86  13.806 -19.394   5.479
  663    HA   ALA  86           HA       ALA  86  15.894 -19.494   3.463
  664    HB1  ALA  86          1HB       ALA  86  15.141 -21.561   4.583
  665    HB2  ALA  86          2HB       ALA  86  14.889 -21.657   2.838
  666    HB3  ALA  86          3HB       ALA  86  13.524 -21.345   3.913
  667    H    ALA  87           H        ALA  87  15.448 -17.628   2.268
  668    HA   ALA  87           HA       ALA  87  12.955 -17.208   0.847
  669    HB1  ALA  87          1HB       ALA  87  14.319 -15.277   1.585
  670    HB2  ALA  87          2HB       ALA  87  14.126 -15.281  -0.170
  671    HB3  ALA  87          3HB       ALA  87  15.647 -15.813   0.552
  672    H    LEU  88           H        LEU  88  12.512 -17.839  -1.219
  673    HA   LEU  88           HA       LEU  88  14.050 -19.845  -2.527
  674    HB2  LEU  88          2HB       LEU  88  11.580 -19.709  -2.671
  675    HB3  LEU  88          1HB       LEU  88  11.703 -18.172  -3.510
  676    HG   LEU  88           HG       LEU  88  12.830 -19.338  -5.430
  677   HD11  LEU  88          1HD1      LEU  88  12.190 -21.905  -3.958
  678   HD12  LEU  88          2HD1      LEU  88  13.795 -21.244  -4.273
  679   HD13  LEU  88          3HD1      LEU  88  12.789 -21.780  -5.615
  680   HD21  LEU  88          1HD2      LEU  88  10.434 -18.881  -5.538
  681   HD22  LEU  88          2HD2      LEU  88  10.079 -20.427  -4.763
  682   HD23  LEU  88          3HD2      LEU  88  10.825 -20.389  -6.363
  683    H    GLU  89           H        GLU  89  15.713 -19.599  -3.946
  684    HA   GLU  89           HA       GLU  89  16.290 -16.952  -5.098
  685    HB2  GLU  89          2HB       GLU  89  18.516 -17.917  -5.677
  686    HB3  GLU  89          1HB       GLU  89  18.171 -17.986  -3.961
  687    HG2  GLU  89          2HG       GLU  89  19.122 -20.060  -4.249
  688    HG3  GLU  89          1HG       GLU  89  17.432 -20.473  -4.517
  689   H282  PNS 101          3H28      PNS 136  -1.167 -11.575  -2.686
  690   H281  PNS 101          2H28      PNS 136  -1.071  -9.927  -3.295
  691   H303  PNS 101          3H51      PNS 136   0.295 -10.836  -0.810
  692   H302  PNS 101          2H51      PNS 136   1.868 -10.121  -1.135
  693   H301  PNS 101          1H51      PNS 136   0.404  -9.212  -1.516
  694   H313  PNS 101          3H52      PNS 136   2.642  -9.820  -3.532
  695   H312  PNS 101          2H52      PNS 136   1.169  -8.912  -3.850
  696   H311  PNS 101          1H52      PNS 136   1.583 -10.307  -4.862
  697    H32  PNS 101           H32      PNS 136   2.530 -12.070  -2.416
  698    H33  PNS 101           H33      PNS 136  -0.022 -13.309  -2.343
  699    H36  PNS 101           H36      PNS 136   3.449 -12.096  -4.460
  700   H372  PNS 101          3H37      PNS 136   3.175 -14.382  -6.040
  701   H371  PNS 101          2H37      PNS 136   2.383 -13.044  -6.877
  702   H382  PNS 101          3H38      PNS 136   5.268 -13.084  -5.931
  703   H381  PNS 101          2H38      PNS 136   4.731 -13.296  -7.598
  704    H41  PNS 101           H41      PNS 136   4.592 -11.508  -8.835
  705   H422  PNS 101          3H42      PNS 136   4.769  -9.377  -9.587
  706   H421  PNS 101          2H42      PNS 136   5.506  -8.957  -8.043
  707   H431  PNS 101          2H43      PNS 136   2.520  -9.130  -8.588
  708   H432  PNS 101          3H43      PNS 136   3.274  -8.693  -7.038
  709    H44  PNS 101           H44      PNS 136   4.548  -6.409  -8.098
  Start of MODEL    8
    1    H1   MET   1          1H        MET   1   3.646  13.965   3.055
    2    H2   MET   1          2H        MET   1   2.753  15.392   3.150
    3    H3   MET   1          3H        MET   1   4.049  15.279   2.076
    4    HA   MET   1           HA       MET   1   1.556  13.723   1.969
    5    HB2  MET   1          2HB       MET   1   1.237  16.112   1.390
    6    HB3  MET   1          1HB       MET   1   2.519  16.000   0.190
    7    HG2  MET   1          2HG       MET   1   1.167  14.381  -1.096
    8    HG3  MET   1          1HG       MET   1  -0.128  14.518   0.099
    9    HE1  MET   1          1HE       MET   1  -1.817  15.140  -1.965
   10    HE2  MET   1          2HE       MET   1  -0.499  15.088  -3.137
   11    HE3  MET   1          3HE       MET   1  -1.545  16.505  -3.047
   12    H    LEU   2           H        LEU   2   2.556  11.716   1.682
   13    HA   LEU   2           HA       LEU   2   3.725  11.284  -1.007
   14    HB2  LEU   2          2HB       LEU   2   5.346   9.704  -0.240
   15    HB3  LEU   2          1HB       LEU   2   5.550  11.138   0.748
   16    HG   LEU   2           HG       LEU   2   4.005   8.695   1.721
   17   HD11  LEU   2          1HD1      LEU   2   6.269   7.974   1.206
   18   HD12  LEU   2          2HD1      LEU   2   5.979   7.978   2.944
   19   HD13  LEU   2          3HD1      LEU   2   6.930   9.270   2.206
   20   HD21  LEU   2          1HD2      LEU   2   4.400   9.615   3.976
   21   HD22  LEU   2          2HD2      LEU   2   3.511  10.745   2.960
   22   HD23  LEU   2          3HD2      LEU   2   5.226  11.009   3.267
   23    H    GLU   3           H        GLU   3   1.476  10.415   1.426
   24    HA   GLU   3           HA       GLU   3   0.835   7.745   0.664
   25    HB2  GLU   3          2HB       GLU   3  -0.877   9.869   2.023
   26    HB3  GLU   3          1HB       GLU   3  -1.250   8.147   1.976
   27    HG2  GLU   3          2HG       GLU   3   0.590   7.607   3.405
   28    HG3  GLU   3          1HG       GLU   3   1.295   9.219   3.234
   29    H    SER   4           H        SER   4  -0.252  10.939  -0.394
   30    HA   SER   4           HA       SER   4  -2.316  10.082  -2.169
   31    HB2  SER   4          2HB       SER   4  -0.682  12.647  -2.256
   32    HB3  SER   4          1HB       SER   4  -2.243  12.371  -3.028
   33    HG   SER   4           HG       SER   4  -2.583  11.753  -0.509
   34    H    LYS   5           H        LYS   5   1.140  10.093  -2.400
   35    HA   LYS   5           HA       LYS   5   1.370  10.283  -5.260
   36    HB2  LYS   5          2HB       LYS   5   3.195  11.060  -3.797
   37    HB3  LYS   5          1HB       LYS   5   3.400   9.435  -3.153
   38    HG2  LYS   5          2HG       LYS   5   4.092   8.654  -5.419
   39    HG3  LYS   5          1HG       LYS   5   3.939  10.307  -6.016
   40    HD2  LYS   5          2HD       LYS   5   5.845   9.410  -3.819
   41    HD3  LYS   5          1HD       LYS   5   6.292   9.662  -5.506
   42    HE2  LYS   5          2HE       LYS   5   5.214  11.811  -3.647
   43    HE3  LYS   5          1HE       LYS   5   6.911  11.587  -4.072
   44    HZ1  LYS   5          1HZ       LYS   5   4.700  12.307  -5.904
   45    HZ2  LYS   5          2HZ       LYS   5   6.269  11.954  -6.411
   46    HZ3  LYS   5          3HZ       LYS   5   5.982  13.294  -5.423
   47    H    LEU   6           H        LEU   6   1.472   7.582  -2.861
   48    HA   LEU   6           HA       LEU   6   2.051   5.541  -4.756
   49    HB2  LEU   6          2HB       LEU   6   1.398   3.901  -3.025
   50    HB3  LEU   6          1HB       LEU   6   2.513   5.112  -2.439
   51    HG   LEU   6           HG       LEU   6   0.285   6.270  -1.534
   52   HD11  LEU   6          1HD1      LEU   6  -1.391   4.678  -0.711
   53   HD12  LEU   6          2HD1      LEU   6  -0.594   3.367  -1.586
   54   HD13  LEU   6          3HD1      LEU   6  -1.325   4.707  -2.472
   55   HD21  LEU   6          1HD2      LEU   6   0.645   5.218   0.649
   56   HD22  LEU   6          2HD2      LEU   6   2.173   5.607  -0.137
   57   HD23  LEU   6          3HD2      LEU   6   1.599   3.937  -0.111
   58    H    ILE   7           H        ILE   7  -0.930   7.025  -3.640
   59    HA   ILE   7           HA       ILE   7  -2.832   5.354  -4.922
   60    HB   ILE   7           HB       ILE   7  -2.966   8.346  -4.352
   61   HG12  ILE   7          2HG1      ILE   7  -4.200   6.115  -2.677
   62   HG13  ILE   7          1HG1      ILE   7  -2.608   6.790  -2.341
   63   HG21  ILE   7          1HG2      ILE   7  -5.277   6.448  -4.942
   64   HG22  ILE   7          2HG2      ILE   7  -4.640   7.655  -6.060
   65   HG23  ILE   7          3HG2      ILE   7  -5.415   8.166  -4.556
   66   HD11  ILE   7          1HD1      ILE   7  -3.631   9.004  -2.013
   67   HD12  ILE   7          2HD1      ILE   7  -4.273   7.783  -0.916
   68   HD13  ILE   7          3HD1      ILE   7  -5.223   8.293  -2.308
   69    H    ASN   8           H        ASN   8  -1.498   8.511  -5.920
   70    HA   ASN   8           HA       ASN   8  -2.695   8.716  -8.439
   71    HB2  ASN   8          2HB       ASN   8  -1.674  10.608  -7.192
   72    HB3  ASN   8          1HB       ASN   8  -0.072   9.939  -7.472
   73   HD21  ASN   8          1HD2      ASN   8   0.874  11.400  -8.779
   74   HD22  ASN   8          2HD2      ASN   8   0.224  11.960 -10.283
   75    H    HIS   9           H        HIS   9   0.212   7.083  -7.427
   76    HA   HIS   9           HA       HIS   9   1.588   6.751  -9.832
   77    HB2  HIS   9          2HB       HIS   9   2.510   6.280  -7.565
   78    HB3  HIS   9          1HB       HIS   9   1.475   4.864  -7.442
   79    HD1  HIS   9           HD1      HIS   9   4.801   5.886  -8.454
   80    HD2  HIS   9           HD2      HIS   9   2.221   2.800  -9.494
   81    HE1  HIS   9           HE1      HIS   9   6.250   4.109  -9.480
   82    HE2  HIS   9           HE2      HIS   9   4.695   2.153  -9.817
   83    H    ILE  10           H        ILE  10  -0.563   4.326  -8.220
   84    HA   ILE  10           HA       ILE  10  -0.724   2.766 -10.679
   85    HB   ILE  10           HB       ILE  10  -2.111   1.178  -9.419
   86   HG12  ILE  10          2HG1      ILE  10  -1.580   2.647  -6.825
   87   HG13  ILE  10          1HG1      ILE  10  -2.992   3.072  -7.772
   88   HG21  ILE  10          1HG2      ILE  10   0.517   1.865  -8.052
   89   HG22  ILE  10          2HG2      ILE  10   0.302   0.855  -9.482
   90   HG23  ILE  10          3HG2      ILE  10  -0.329   0.318  -7.927
   91   HD11  ILE  10          1HD1      ILE  10  -3.485   1.498  -6.022
   92   HD12  ILE  10          2HD1      ILE  10  -2.338   0.348  -6.710
   93   HD13  ILE  10          3HD1      ILE  10  -3.776   0.819  -7.620
   94    H    ALA  11           H        ALA  11  -2.707   5.167  -9.082
   95    HA   ALA  11           HA       ALA  11  -5.263   4.707  -9.943
   96    HB1  ALA  11          1HB       ALA  11  -5.604   7.134  -9.960
   97    HB2  ALA  11          2HB       ALA  11  -3.858   7.399 -10.013
   98    HB3  ALA  11          3HB       ALA  11  -4.596   6.659  -8.590
   99    H    THR  12           H        THR  12  -2.505   5.599 -11.921
  100    HA   THR  12           HA       THR  12  -3.785   6.455 -14.272
  101    HB   THR  12           HB       THR  12  -1.126   4.991 -14.115
  102    HG1  THR  12           HG1      THR  12  -0.210   6.913 -13.513
  103   HG21  THR  12          1HG2      THR  12  -2.099   7.152 -16.023
  104   HG22  THR  12          2HG2      THR  12  -1.912   5.443 -16.421
  105   HG23  THR  12          3HG2      THR  12  -0.494   6.416 -16.025
  106    H    GLN  13           H        GLN  13  -2.791   3.189 -13.185
  107    HA   GLN  13           HA       GLN  13  -3.648   1.961 -15.736
  108    HB2  GLN  13          2HB       GLN  13  -2.576  -0.118 -14.841
  109    HB3  GLN  13          1HB       GLN  13  -1.459   1.240 -14.927
  110    HG2  GLN  13          2HG       GLN  13  -1.678   1.600 -12.502
  111    HG3  GLN  13          1HG       GLN  13  -2.849   0.292 -12.401
  112   HE21  GLN  13          1HE2      GLN  13   0.531   1.090 -12.864
  113   HE22  GLN  13          2HE2      GLN  13   1.145  -0.497 -12.559
  114    H    PHE  14           H        PHE  14  -4.611   2.276 -12.436
  115    HA   PHE  14           HA       PHE  14  -6.410  -0.010 -12.466
  116    HB2  PHE  14          2HB       PHE  14  -5.092   1.650 -10.348
  117    HB3  PHE  14          1HB       PHE  14  -6.687   1.019  -9.936
  118    HD1  PHE  14           HD1      PHE  14  -5.393  -0.182  -8.066
  119    HD2  PHE  14           HD2      PHE  14  -4.766  -1.090 -12.210
  120    HE1  PHE  14           HE1      PHE  14  -4.425  -2.351  -7.473
  121    HE2  PHE  14           HE2      PHE  14  -3.791  -3.237 -11.588
  122    HZ   PHE  14           HZ       PHE  14  -3.616  -3.881  -9.223
  123    H    LEU  15           H        LEU  15  -6.557   3.483 -12.570
  124    HA   LEU  15           HA       LEU  15  -9.530   3.416 -12.319
  125    HB2  LEU  15          2HB       LEU  15  -7.717   5.606 -11.253
  126    HB3  LEU  15          1HB       LEU  15  -9.452   5.457 -11.021
  127    HG   LEU  15           HG       LEU  15  -7.311   3.670  -9.779
  128   HD11  LEU  15          1HD1      LEU  15  -7.925   4.701  -7.683
  129   HD12  LEU  15          2HD1      LEU  15  -9.118   5.727  -8.473
  130   HD13  LEU  15          3HD1      LEU  15  -7.402   5.924  -8.829
  131   HD21  LEU  15          1HD2      LEU  15  -9.147   2.652  -8.484
  132   HD22  LEU  15          2HD2      LEU  15  -9.335   2.350 -10.203
  133   HD23  LEU  15          3HD2      LEU  15 -10.343   3.566  -9.410
  134    H    ASP  16           H        ASP  16  -7.256   3.858 -14.570
  135    HA   ASP  16           HA       ASP  16  -7.095   4.922 -16.579
  136    HB2  ASP  16          2HB       ASP  16  -9.632   4.518 -16.643
  137    HB3  ASP  16          1HB       ASP  16  -9.849   6.121 -15.988
  138    H    GLY  17           H        GLY  17  -6.274   6.180 -14.012
  139    HA2  GLY  17          2HA       GLY  17  -4.959   8.064 -13.612
  140    HA3  GLY  17          1HA       GLY  17  -5.739   8.912 -14.935
  141    H    GLU  18           H        GLU  18  -8.277   7.654 -13.304
  142    HA   GLU  18           HA       GLU  18  -8.911  10.224 -12.089
  143    HB2  GLU  18          2HB       GLU  18 -11.124   9.601 -12.280
  144    HB3  GLU  18          1HB       GLU  18 -10.482   8.400 -13.402
  145    HG2  GLU  18          2HG       GLU  18 -10.464   6.737 -11.535
  146    HG3  GLU  18          1HG       GLU  18 -11.205   7.940 -10.484
  147    H    LYS  19           H        LYS  19  -9.270  10.575  -9.836
  148    HA   LYS  19           HA       LYS  19  -8.335   8.432  -8.001
  149    HB2  LYS  19          2HB       LYS  19  -8.610  11.410  -7.480
  150    HB3  LYS  19          1HB       LYS  19  -8.053  10.199  -6.322
  151    HG2  LYS  19          2HG       LYS  19  -6.218   9.664  -8.102
  152    HG3  LYS  19          1HG       LYS  19  -6.655  11.229  -8.795
  153    HD2  LYS  19          2HD       LYS  19  -5.719  10.724  -5.954
  154    HD3  LYS  19          1HD       LYS  19  -4.758  11.446  -7.248
  155    HE2  LYS  19          2HE       LYS  19  -6.417  13.336  -7.347
  156    HE3  LYS  19          1HE       LYS  19  -7.250  12.630  -5.964
  157    HZ1  LYS  19          1HZ       LYS  19  -5.762  14.404  -5.340
  158    HZ2  LYS  19          2HZ       LYS  19  -4.445  13.566  -5.983
  159    HZ3  LYS  19          3HZ       LYS  19  -5.276  12.941  -4.656
  160    H    ASP  20           H        ASP  20 -10.088   7.228  -7.582
  161    HA   ASP  20           HA       ASP  20 -12.087   8.196  -5.809
  162    HB2  ASP  20          2HB       ASP  20 -13.019   9.061  -8.009
  163    HB3  ASP  20          1HB       ASP  20 -13.129   7.399  -8.581
  164    H    GLY  21           H        GLY  21 -12.674   6.504  -4.547
  165    HA2  GLY  21          2HA       GLY  21 -13.166   4.304  -3.923
  166    HA3  GLY  21          1HA       GLY  21 -12.640   3.729  -5.496
  167    H    LEU  22           H        LEU  22 -10.135   5.350  -5.214
  168    HA   LEU  22           HA       LEU  22  -8.594   3.597  -3.395
  169    HB2  LEU  22          2HB       LEU  22  -8.187   3.326  -5.864
  170    HB3  LEU  22          1HB       LEU  22  -7.731   5.013  -5.941
  171    HG   LEU  22           HG       LEU  22  -5.824   4.475  -4.334
  172   HD11  LEU  22          1HD1      LEU  22  -6.567   1.601  -4.973
  173   HD12  LEU  22          2HD1      LEU  22  -6.685   2.386  -3.395
  174   HD13  LEU  22          3HD1      LEU  22  -5.105   2.130  -4.133
  175   HD21  LEU  22          1HD2      LEU  22  -5.791   3.104  -7.044
  176   HD22  LEU  22          2HD2      LEU  22  -4.377   3.584  -6.101
  177   HD23  LEU  22          3HD2      LEU  22  -5.465   4.814  -6.739
  178    H    ASP  23           H        ASP  23  -8.290   4.828  -1.609
  179    HA   ASP  23           HA       ASP  23  -6.574   7.131  -1.818
  180    HB2  ASP  23          2HB       ASP  23  -8.956   8.090  -1.934
  181    HB3  ASP  23          1HB       ASP  23  -9.206   7.489  -0.301
  182    H    SER  24           H        SER  24  -5.726   7.769   0.299
  183    HA   SER  24           HA       SER  24  -4.815   5.662   1.861
  184    HB2  SER  24          2HB       SER  24  -4.066   7.520   3.421
  185    HB3  SER  24          1HB       SER  24  -3.612   7.769   1.738
  186    HG   SER  24           HG       SER  24  -5.996   8.895   2.089
  187    H    GLN  25           H        GLN  25  -7.518   7.867   2.361
  188    HA   GLN  25           HA       GLN  25  -8.251   6.781   4.957
  189    HB2  GLN  25          2HB       GLN  25  -9.544   8.984   3.316
  190    HB3  GLN  25          1HB       GLN  25  -9.934   8.571   4.984
  191    HG2  GLN  25          2HG       GLN  25  -7.348   9.753   3.936
  192    HG3  GLN  25          1HG       GLN  25  -8.504  10.485   5.042
  193   HE21  GLN  25          1HE2      GLN  25  -8.567   9.760   7.233
  194   HE22  GLN  25          2HE2      GLN  25  -7.250   8.884   7.927
  195    H    THR  26           H        THR  26  -9.029   6.166   1.704
  196    HA   THR  26           HA       THR  26 -11.751   5.242   2.118
  197    HB   THR  26           HB       THR  26  -9.938   5.132  -0.337
  198    HG1  THR  26           HG1      THR  26 -11.053   7.188   0.823
  199   HG21  THR  26          1HG2      THR  26 -12.939   4.724  -0.097
  200   HG22  THR  26          2HG2      THR  26 -11.751   3.492  -0.529
  201   HG23  THR  26          3HG2      THR  26 -12.038   4.855  -1.613
  202    HA   PRO  27           HA       PRO  27 -10.520   0.961   3.059
  203    HB2  PRO  27          2HB       PRO  27 -12.902  -0.291   2.618
  204    HB3  PRO  27          1HB       PRO  27 -12.648   0.773   4.027
  205    HG2  PRO  27          2HG       PRO  27 -13.939   1.440   1.386
  206    HG3  PRO  27          1HG       PRO  27 -14.550   1.756   3.022
  207    HD2  PRO  27          2HD       PRO  27 -13.302   3.676   1.621
  208    HD3  PRO  27          1HD       PRO  27 -13.054   3.543   3.373
  209    H    LEU  28           H        LEU  28  -9.108   0.274   1.520
  210    HA   LEU  28           HA       LEU  28  -9.704   0.137  -1.279
  211    HB2  LEU  28          2HB       LEU  28  -7.362  -1.148   0.179
  212    HB3  LEU  28          1HB       LEU  28  -7.445  -0.718  -1.525
  213    HG   LEU  28           HG       LEU  28  -7.270   1.190   0.841
  214   HD11  LEU  28          1HD1      LEU  28  -5.323   0.728  -1.434
  215   HD12  LEU  28          2HD1      LEU  28  -5.137   0.186   0.237
  216   HD13  LEU  28          3HD1      LEU  28  -5.149   1.909  -0.130
  217   HD21  LEU  28          1HD2      LEU  28  -7.674   1.926  -2.083
  218   HD22  LEU  28          2HD2      LEU  28  -7.275   3.059  -0.788
  219   HD23  LEU  28          3HD2      LEU  28  -8.807   2.195  -0.755
  220    H    PHE  29           H        PHE  29 -10.060  -2.096   1.368
  221    HA   PHE  29           HA       PHE  29 -10.345  -4.424  -0.364
  222    HB2  PHE  29          2HB       PHE  29  -9.783  -4.041   2.484
  223    HB3  PHE  29          1HB       PHE  29 -11.062  -5.230   2.271
  224    HD1  PHE  29           HD1      PHE  29  -7.879  -4.344   0.508
  225    HD2  PHE  29           HD2      PHE  29 -10.259  -7.444   2.243
  226    HE1  PHE  29           HE1      PHE  29  -6.214  -5.987  -0.138
  227    HE2  PHE  29           HE2      PHE  29  -8.567  -9.101   1.581
  228    HZ   PHE  29           HZ       PHE  29  -6.545  -8.376   0.381
  229    H    GLU  30           H        GLU  30 -12.485  -2.339   1.570
  230    HA   GLU  30           HA       GLU  30 -14.825  -3.959   1.265
  231    HB2  GLU  30          2HB       GLU  30 -14.626  -0.956   1.762
  232    HB3  GLU  30          1HB       GLU  30 -16.101  -1.907   1.910
  233    HG2  GLU  30          2HG       GLU  30 -13.601  -2.204   3.612
  234    HG3  GLU  30          1HG       GLU  30 -15.115  -1.448   4.109
  235    H    LEU  31           H        LEU  31 -13.337  -1.449  -0.668
  236    HA   LEU  31           HA       LEU  31 -15.437  -1.557  -2.717
  237    HB2  LEU  31          2HB       LEU  31 -12.931   0.147  -2.642
  238    HB3  LEU  31          1HB       LEU  31 -14.309   0.339  -3.721
  239    HG   LEU  31           HG       LEU  31 -14.203   0.896  -0.734
  240   HD11  LEU  31          1HD1      LEU  31 -14.680   3.189  -1.348
  241   HD12  LEU  31          2HD1      LEU  31 -14.764   2.751  -3.059
  242   HD13  LEU  31          3HD1      LEU  31 -13.235   2.620  -2.186
  243   HD21  LEU  31          1HD2      LEU  31 -16.364  -0.152  -1.200
  244   HD22  LEU  31          2HD2      LEU  31 -16.658   0.970  -2.532
  245   HD23  LEU  31          3HD2      LEU  31 -16.576   1.567  -0.871
  246    H    ASN  32           H        ASN  32 -12.370  -2.945  -2.020
  247    HA   ASN  32           HA       ASN  32 -11.062  -4.493  -3.049
  248    HB2  ASN  32          2HB       ASN  32 -13.549  -4.838  -4.775
  249    HB3  ASN  32          1HB       ASN  32 -12.161  -5.921  -4.868
  250   HD21  ASN  32          1HD2      ASN  32 -14.788  -4.796  -2.849
  251   HD22  ASN  32          2HD2      ASN  32 -14.774  -6.135  -1.755
  252    H    ILE  33           H        ILE  33 -10.676  -1.807  -3.834
  253    HA   ILE  33           HA       ILE  33 -10.585  -1.526  -6.690
  254    HB   ILE  33           HB       ILE  33  -9.376   0.208  -4.505
  255   HG12  ILE  33          2HG1      ILE  33 -11.793   0.063  -4.240
  256   HG13  ILE  33          1HG1      ILE  33 -11.421   1.640  -4.914
  257   HG21  ILE  33          1HG2      ILE  33  -9.826   0.844  -7.445
  258   HG22  ILE  33          2HG2      ILE  33  -8.266   0.676  -6.633
  259   HG23  ILE  33          3HG2      ILE  33  -9.337   2.015  -6.218
  260   HD11  ILE  33          1HD1      ILE  33 -13.383   0.728  -5.944
  261   HD12  ILE  33          2HD1      ILE  33 -12.516  -0.735  -6.410
  262   HD13  ILE  33          3HD1      ILE  33 -12.087   0.818  -7.135
  263    H    VAL  34           H        VAL  34  -8.027  -1.781  -4.194
  264    HA   VAL  34           HA       VAL  34  -5.971  -1.952  -6.253
  265    HB   VAL  34           HB       VAL  34  -5.560  -0.672  -4.133
  266   HG11  VAL  34          1HG1      VAL  34  -5.349  -3.393  -2.777
  267   HG12  VAL  34          2HG1      VAL  34  -6.640  -2.215  -2.511
  268   HG13  VAL  34          3HG1      VAL  34  -4.984  -1.831  -2.032
  269   HG21  VAL  34          1HG2      VAL  34  -3.204  -1.395  -3.814
  270   HG22  VAL  34          2HG2      VAL  34  -3.650  -1.369  -5.522
  271   HG23  VAL  34          3HG2      VAL  34  -3.556  -2.906  -4.661
  272    H    ASP  35           H        ASP  35  -4.851  -3.779  -6.811
  273    HA   ASP  35           HA       ASP  35  -5.892  -6.385  -5.936
  274    HB2  ASP  35          2HB       ASP  35  -6.066  -5.875  -8.357
  275    HB3  ASP  35          1HB       ASP  35  -4.336  -5.600  -8.446
  276    H    SER  36           H        SER  36  -4.304  -8.088  -5.953
  277    HA   SER  36           HA       SER  36  -2.314  -7.790  -4.002
  278    HB2  SER  36          2HB       SER  36  -3.732  -9.864  -5.042
  279    HB3  SER  36          1HB       SER  36  -2.243 -10.126  -5.933
  280    H    ALA  37           H        ALA  37  -2.187  -7.739  -7.538
  281    HA   ALA  37           HA       ALA  37   0.582  -7.945  -8.011
  282    HB1  ALA  37          1HB       ALA  37   0.108  -6.959 -10.222
  283    HB2  ALA  37          2HB       ALA  37  -1.491  -6.449  -9.668
  284    HB3  ALA  37          3HB       ALA  37  -1.104  -8.166  -9.796
  285    H    ALA  38           H        ALA  38  -1.439  -5.096  -7.308
  286    HA   ALA  38           HA       ALA  38   0.620  -3.152  -7.871
  287    HB1  ALA  38          1HB       ALA  38  -0.992  -1.489  -7.007
  288    HB2  ALA  38          2HB       ALA  38  -2.037  -2.795  -6.443
  289    HB3  ALA  38          3HB       ALA  38  -1.758  -2.574  -8.170
  290    H    ILE  39           H        ILE  39  -0.169  -5.118  -5.166
  291    HA   ILE  39           HA       ILE  39   0.645  -3.448  -3.023
  292    HB   ILE  39           HB       ILE  39   0.636  -6.491  -3.178
  293   HG12  ILE  39          2HG1      ILE  39  -1.572  -5.615  -3.678
  294   HG13  ILE  39          1HG1      ILE  39  -1.603  -6.288  -2.058
  295   HG21  ILE  39          1HG2      ILE  39   0.694  -4.724  -0.693
  296   HG22  ILE  39          2HG2      ILE  39   2.011  -5.752  -1.269
  297   HG23  ILE  39          3HG2      ILE  39   0.504  -6.479  -0.699
  298   HD11  ILE  39          1HD1      ILE  39  -2.872  -4.249  -2.157
  299   HD12  ILE  39          2HD1      ILE  39  -1.483  -3.363  -2.783
  300   HD13  ILE  39          3HD1      ILE  39  -1.454  -4.007  -1.139
  301    H    PHE  40           H        PHE  40   2.397  -5.704  -5.110
  302    HA   PHE  40           HA       PHE  40   4.905  -5.705  -3.814
  303    HB2  PHE  40          2HB       PHE  40   4.286  -7.364  -5.525
  304    HB3  PHE  40          1HB       PHE  40   4.197  -6.112  -6.755
  305    HD1  PHE  40           HD1      PHE  40   6.608  -7.682  -4.337
  306    HD2  PHE  40           HD2      PHE  40   6.121  -5.706  -8.109
  307    HE1  PHE  40           HE1      PHE  40   8.980  -8.064  -4.852
  308    HE2  PHE  40           HE2      PHE  40   8.496  -6.099  -8.612
  309    HZ   PHE  40           HZ       PHE  40   9.928  -7.278  -6.986
  310    H    ASP  41           H        ASP  41   3.397  -3.405  -5.985
  311    HA   ASP  41           HA       ASP  41   5.727  -1.796  -6.517
  312    HB2  ASP  41          2HB       ASP  41   3.812  -1.893  -8.082
  313    HB3  ASP  41          1HB       ASP  41   2.752  -1.212  -6.858
  314    H    LEU  42           H        LEU  42   2.787  -1.341  -4.573
  315    HA   LEU  42           HA       LEU  42   3.334   1.107  -3.388
  316    HB2  LEU  42          2HB       LEU  42   1.518  -1.195  -2.712
  317    HB3  LEU  42          1HB       LEU  42   1.749   0.026  -1.475
  318    HG   LEU  42           HG       LEU  42   0.897   1.782  -3.018
  319   HD11  LEU  42          1HD1      LEU  42  -0.177   1.260  -5.145
  320   HD12  LEU  42          2HD1      LEU  42   0.304  -0.431  -4.997
  321   HD13  LEU  42          3HD1      LEU  42   1.533   0.820  -5.182
  322   HD21  LEU  42          1HD2      LEU  42  -1.024  -0.546  -2.647
  323   HD22  LEU  42          2HD2      LEU  42  -1.486   1.123  -2.990
  324   HD23  LEU  42          3HD2      LEU  42  -0.674   0.731  -1.477
  325    H    VAL  43           H        VAL  43   4.208  -2.129  -2.286
  326    HA   VAL  43           HA       VAL  43   5.093  -1.348   0.316
  327    HB   VAL  43           HB       VAL  43   4.320  -3.668  -0.275
  328   HG11  VAL  43          1HG1      VAL  43   7.027  -3.974  -1.625
  329   HG12  VAL  43          2HG1      VAL  43   5.458  -3.953  -2.434
  330   HG13  VAL  43          3HG1      VAL  43   5.861  -5.269  -1.331
  331   HG21  VAL  43          1HG2      VAL  43   5.526  -3.235   1.820
  332   HG22  VAL  43          2HG2      VAL  43   7.068  -3.506   1.005
  333   HG23  VAL  43          3HG2      VAL  43   5.925  -4.836   1.193
  334    H    ASP  44           H        ASP  44   6.680  -1.708  -2.835
  335    HA   ASP  44           HA       ASP  44   9.370  -1.628  -1.865
  336    HB2  ASP  44          2HB       ASP  44   8.527  -2.378  -4.224
  337    HB3  ASP  44          1HB       ASP  44   8.570  -0.684  -4.641
  338    H    PHE  45           H        PHE  45   7.016   0.693  -2.962
  339    HA   PHE  45           HA       PHE  45   8.565   3.008  -2.876
  340    HB2  PHE  45          2HB       PHE  45   6.450   2.968  -4.046
  341    HB3  PHE  45          1HB       PHE  45   5.582   2.522  -2.585
  342    HD1  PHE  45           HD1      PHE  45   7.793   5.310  -3.833
  343    HD2  PHE  45           HD2      PHE  45   4.358   4.222  -1.524
  344    HE1  PHE  45           HE1      PHE  45   7.299   7.678  -3.428
  345    HE2  PHE  45           HE2      PHE  45   3.870   6.597  -1.146
  346    HZ   PHE  45           HZ       PHE  45   5.350   8.330  -2.073
  347    H    LEU  46           H        LEU  46   6.505   1.441  -0.417
  348    HA   LEU  46           HA       LEU  46   6.819   3.405   1.614
  349    HB2  LEU  46          2HB       LEU  46   5.990   0.492   1.852
  350    HB3  LEU  46          1HB       LEU  46   5.933   1.637   3.184
  351    HG   LEU  46           HG       LEU  46   4.234   1.668   0.664
  352   HD11  LEU  46          1HD1      LEU  46   3.450   1.375   3.578
  353   HD12  LEU  46          2HD1      LEU  46   3.479   0.091   2.367
  354   HD13  LEU  46          3HD1      LEU  46   2.344   1.428   2.202
  355   HD21  LEU  46          1HD2      LEU  46   4.373   3.803   2.823
  356   HD22  LEU  46          2HD2      LEU  46   3.154   3.723   1.549
  357   HD23  LEU  46          3HD2      LEU  46   4.845   3.982   1.130
  358    H    ARG  47           H        ARG  47   8.523   0.294   1.084
  359    HA   ARG  47           HA       ARG  47  10.028   0.385   3.501
  360    HB2  ARG  47          2HB       ARG  47  11.396  -1.441   2.549
  361    HB3  ARG  47          1HB       ARG  47   9.682  -1.744   2.274
  362    HG2  ARG  47          2HG       ARG  47   9.887  -1.034  -0.043
  363    HG3  ARG  47          1HG       ARG  47  11.571  -0.595   0.197
  364    HD2  ARG  47          2HD       ARG  47  10.632  -3.424   0.667
  365    HD3  ARG  47          1HD       ARG  47  10.978  -2.850  -0.964
  366    HE   ARG  47           HE       ARG  47  12.999  -2.744   1.207
  367   HH11  ARG  47          1HH1      ARG  47  12.135  -3.560  -2.103
  368   HH12  ARG  47          2HH1      ARG  47  13.739  -4.053  -2.526
  369   HH21  ARG  47          1HH2      ARG  47  15.115  -3.410   0.619
  370   HH22  ARG  47          2HH2      ARG  47  15.421  -3.968  -0.994
  371    H    GLN  48           H        GLN  48  10.485   1.785   0.337
  372    HA   GLN  48           HA       GLN  48  13.231   2.465   0.470
  373    HB2  GLN  48          2HB       GLN  48  11.926   2.496  -1.645
  374    HB3  GLN  48          1HB       GLN  48  10.940   3.821  -1.033
  375    HG2  GLN  48          2HG       GLN  48  13.049   5.219  -0.907
  376    HG3  GLN  48          1HG       GLN  48  13.898   3.901  -1.709
  377   HE21  GLN  48          1HE2      GLN  48  10.602   4.932  -2.487
  378   HE22  GLN  48          2HE2      GLN  48  10.986   5.542  -4.054
  379    H    GLU  49           H        GLU  49  10.260   4.324   1.117
  380    HA   GLU  49           HA       GLU  49  11.474   6.705   2.060
  381    HB2  GLU  49          2HB       GLU  49   8.665   5.642   2.592
  382    HB3  GLU  49          1HB       GLU  49   9.186   7.312   2.795
  383    HG2  GLU  49          2HG       GLU  49   8.967   5.775   0.189
  384    HG3  GLU  49          1HG       GLU  49   7.921   7.086   0.724
  385    H    SER  50           H        SER  50  10.233   3.856   3.652
  386    HA   SER  50           HA       SER  50  10.664   4.780   6.354
  387    HB2  SER  50          2HB       SER  50   9.926   2.015   5.333
  388    HB3  SER  50          1HB       SER  50   9.858   2.543   7.015
  389    HG   SER  50           HG       SER  50   8.369   3.661   4.869
  390    H    LYS  51           H        LYS  51  12.791   3.648   4.028
  391    HA   LYS  51           HA       LYS  51  14.981   3.085   4.042
  392    HB2  LYS  51          2HB       LYS  51  14.983   3.922   6.970
  393    HB3  LYS  51          1HB       LYS  51  16.373   3.895   5.892
  394    HG2  LYS  51          2HG       LYS  51  13.978   5.758   5.699
  395    HG3  LYS  51          1HG       LYS  51  15.588   6.188   6.280
  396    HD2  LYS  51          2HD       LYS  51  16.534   5.807   4.048
  397    HD3  LYS  51          1HD       LYS  51  14.966   5.249   3.448
  398    HE2  LYS  51          2HE       LYS  51  15.390   7.565   2.757
  399    HE3  LYS  51          1HE       LYS  51  14.017   7.497   3.864
  400    HZ1  LYS  51          1HZ       LYS  51  15.482   8.204   5.655
  401    HZ2  LYS  51          2HZ       LYS  51  15.512   9.324   4.389
  402    HZ3  LYS  51          3HZ       LYS  51  16.796   8.249   4.598
  403    H    VAL  52           H        VAL  52  13.042   1.019   4.727
  404    HA   VAL  52           HA       VAL  52  14.664  -0.882   6.303
  405    HB   VAL  52           HB       VAL  52  12.468  -1.983   6.900
  406   HG11  VAL  52          1HG1      VAL  52  13.641  -0.599   8.547
  407   HG12  VAL  52          2HG1      VAL  52  11.895  -0.442   8.732
  408   HG13  VAL  52          3HG1      VAL  52  12.815   0.843   7.946
  409   HG21  VAL  52          1HG2      VAL  52  10.364  -0.668   6.721
  410   HG22  VAL  52          2HG2      VAL  52  11.025  -1.076   5.137
  411   HG23  VAL  52          3HG2      VAL  52  11.224   0.555   5.781
  412    H    SER  53           H        SER  53  14.484  -3.074   5.701
  413    HA   SER  53           HA       SER  53  13.331  -3.721   3.049
  414    HB2  SER  53          2HB       SER  53  15.214  -5.363   4.813
  415    HB3  SER  53          1HB       SER  53  14.662  -5.794   3.192
  416    HG   SER  53           HG       SER  53  15.848  -3.303   3.433
  417    H    ILE  54           H        ILE  54  11.812  -5.437   2.906
  418    HA   ILE  54           HA       ILE  54  10.549  -6.341   5.427
  419    HB   ILE  54           HB       ILE  54   9.161  -4.527   4.589
  420   HG12  ILE  54          2HG1      ILE  54   7.839  -7.204   3.934
  421   HG13  ILE  54          1HG1      ILE  54   7.961  -6.501   5.540
  422   HG21  ILE  54          1HG2      ILE  54   8.166  -4.484   2.341
  423   HG22  ILE  54          2HG2      ILE  54   9.023  -5.964   1.915
  424   HG23  ILE  54          3HG2      ILE  54   9.929  -4.486   2.247
  425   HD11  ILE  54          1HD1      ILE  54   5.749  -6.249   4.638
  426   HD12  ILE  54          2HD1      ILE  54   6.381  -5.412   3.223
  427   HD13  ILE  54          3HD1      ILE  54   6.503  -4.663   4.819
  428    H    GLY  55           H        GLY  55   9.758  -8.431   5.419
  429    HA2  GLY  55          2HA       GLY  55  10.698 -10.284   3.434
  430    HA3  GLY  55          1HA       GLY  55   9.694 -10.656   4.827
  431    H    MET  56           H        MET  56   9.495 -11.462   1.929
  432    HA   MET  56           HA       MET  56   7.324 -10.171   0.644
  433    HB2  MET  56          2HB       MET  56   8.291 -13.041   0.310
  434    HB3  MET  56          1HB       MET  56   7.226 -12.192  -0.806
  435    HG2  MET  56          2HG       MET  56  10.121 -11.521  -0.209
  436    HG3  MET  56          1HG       MET  56   9.496 -12.241  -1.688
  437    HE1  MET  56          1HE       MET  56   6.866 -10.460  -2.276
  438    HE2  MET  56          2HE       MET  56   8.054 -10.850  -3.515
  439    HE3  MET  56          3HE       MET  56   7.546  -9.181  -3.276
  440    H    GLN  57           H        GLN  57   7.472 -12.561   3.143
  441    HA   GLN  57           HA       GLN  57   4.892 -13.658   3.163
  442    HB2  GLN  57          2HB       GLN  57   6.722 -12.984   5.510
  443    HB3  GLN  57          1HB       GLN  57   5.364 -14.105   5.574
  444    HG2  GLN  57          2HG       GLN  57   6.484 -15.694   4.167
  445    HG3  GLN  57          1HG       GLN  57   7.730 -14.528   3.726
  446   HE21  GLN  57          1HE2      GLN  57   6.549 -16.637   6.257
  447   HE22  GLN  57          2HE2      GLN  57   7.998 -16.643   7.199
  448    H    GLU  58           H        GLU  58   6.173 -10.643   4.533
  449    HA   GLU  58           HA       GLU  58   3.687  -9.921   5.879
  450    HB2  GLU  58          2HB       GLU  58   6.366  -8.479   5.679
  451    HB3  GLU  58          1HB       GLU  58   5.008  -7.945   6.669
  452    HG2  GLU  58          2HG       GLU  58   6.619 -10.496   7.019
  453    HG3  GLU  58          1HG       GLU  58   6.633  -9.080   8.070
  454    H    ILE  59           H        ILE  59   5.151  -9.383   2.810
  455    HA   ILE  59           HA       ILE  59   3.647  -7.008   2.135
  456    HB   ILE  59           HB       ILE  59   4.914  -9.044   0.253
  457   HG12  ILE  59          2HG1      ILE  59   6.098  -6.482   1.420
  458   HG13  ILE  59          1HG1      ILE  59   6.631  -8.122   1.772
  459   HG21  ILE  59          1HG2      ILE  59   4.841  -7.205  -1.416
  460   HG22  ILE  59          2HG2      ILE  59   4.018  -6.175  -0.241
  461   HG23  ILE  59          3HG2      ILE  59   3.223  -7.630  -0.846
  462   HD11  ILE  59          1HD1      ILE  59   8.134  -6.983   0.257
  463   HD12  ILE  59          2HD1      ILE  59   6.818  -6.735  -0.894
  464   HD13  ILE  59          3HD1      ILE  59   7.382  -8.370  -0.531
  465    H    HIS  60           H        HIS  60   1.466  -7.320   2.412
  466    HA   HIS  60           HA       HIS  60   0.109  -9.278   0.704
  467    HB2  HIS  60          2HB       HIS  60   0.140  -9.399   3.680
  468    HB3  HIS  60          1HB       HIS  60  -1.480  -9.451   2.996
  469    HD1  HIS  60           HD1      HIS  60   1.827 -11.259   2.273
  470    HD2  HIS  60           HD2      HIS  60  -2.268 -11.942   2.491
  471    HE1  HIS  60           HE1      HIS  60   1.540 -13.690   1.759
  472    HE2  HIS  60           HE2      HIS  60  -0.954 -14.020   1.658
  473    HA   PRO  61           HA       PRO  61  -2.670  -5.777   0.053
  474    HB2  PRO  61          2HB       PRO  61  -4.926  -7.274  -0.733
  475    HB3  PRO  61          1HB       PRO  61  -3.619  -6.765  -1.819
  476    HG2  PRO  61          2HG       PRO  61  -4.056  -9.406  -0.504
  477    HG3  PRO  61          1HG       PRO  61  -3.450  -9.040  -2.132
  478    HD2  PRO  61          2HD       PRO  61  -1.788  -9.785  -0.128
  479    HD3  PRO  61          1HD       PRO  61  -1.281  -8.627  -1.378
  480    H    ALA  62           H        ALA  62  -3.420  -8.579   2.051
  481    HA   ALA  62           HA       ALA  62  -5.579  -7.770   3.574
  482    HB1  ALA  62          1HB       ALA  62  -3.148  -9.320   4.522
  483    HB2  ALA  62          2HB       ALA  62  -4.580 -10.009   3.759
  484    HB3  ALA  62          3HB       ALA  62  -4.712  -9.259   5.349
  485    H    ASN  63           H        ASN  63  -2.179  -6.922   3.897
  486    HA   ASN  63           HA       ASN  63  -2.541  -5.317   6.300
  487    HB2  ASN  63          2HB       ASN  63  -0.055  -5.783   4.595
  488    HB3  ASN  63          1HB       ASN  63  -0.090  -5.058   6.203
  489   HD21  ASN  63          1HD2      ASN  63   1.290  -7.496   5.190
  490   HD22  ASN  63          2HD2      ASN  63   0.765  -8.775   6.233
  491    H    PHE  64           H        PHE  64  -2.360  -4.868   2.847
  492    HA   PHE  64           HA       PHE  64  -2.069  -1.933   3.106
  493    HB2  PHE  64          2HB       PHE  64  -1.888  -3.800   0.697
  494    HB3  PHE  64          1HB       PHE  64  -1.872  -2.042   0.559
  495    HD1  PHE  64           HD1      PHE  64  -0.121  -4.761   2.433
  496    HD2  PHE  64           HD2      PHE  64   0.253  -1.002   0.462
  497    HE1  PHE  64           HE1      PHE  64   2.274  -4.830   2.803
  498    HE2  PHE  64           HE2      PHE  64   2.677  -1.066   0.863
  499    HZ   PHE  64           HZ       PHE  64   3.687  -2.986   2.047
  500    H    ALA  65           H        ALA  65  -4.502  -3.630   3.779
  501    HA   ALA  65           HA       ALA  65  -6.608  -3.156   1.961
  502    HB1  ALA  65          1HB       ALA  65  -6.719  -3.541   4.979
  503    HB2  ALA  65          2HB       ALA  65  -6.706  -4.830   3.772
  504    HB3  ALA  65          3HB       ALA  65  -8.078  -3.722   3.864
  505    H    THR  66           H        THR  66  -5.145  -1.165   4.482
  506    HA   THR  66           HA       THR  66  -6.530   1.245   3.552
  507    HB   THR  66           HB       THR  66  -6.886   2.067   5.915
  508    HG1  THR  66           HG1      THR  66  -6.626  -0.606   6.795
  509   HG21  THR  66          1HG2      THR  66  -8.847   1.131   4.724
  510   HG22  THR  66          2HG2      THR  66  -8.932   0.791   6.453
  511   HG23  THR  66          3HG2      THR  66  -8.448  -0.480   5.330
  512    H    VAL  67           H        VAL  67  -5.354   3.254   4.470
  513    HA   VAL  67           HA       VAL  67  -2.529   2.886   4.227
  514    HB   VAL  67           HB       VAL  67  -3.791   5.055   3.672
  515   HG11  VAL  67          1HG1      VAL  67  -3.395   5.650   6.634
  516   HG12  VAL  67          2HG1      VAL  67  -4.941   5.479   5.804
  517   HG13  VAL  67          3HG1      VAL  67  -3.876   6.827   5.406
  518   HG21  VAL  67          1HG2      VAL  67  -1.790   6.447   4.033
  519   HG22  VAL  67          2HG2      VAL  67  -1.348   4.826   3.488
  520   HG23  VAL  67          3HG2      VAL  67  -1.168   5.265   5.189
  521    H    GLN  68           H        GLN  68  -4.661   3.269   7.030
  522    HA   GLN  68           HA       GLN  68  -2.709   3.648   9.026
  523    HB2  GLN  68          2HB       GLN  68  -5.158   3.993   9.403
  524    HB3  GLN  68          1HB       GLN  68  -5.414   2.254   9.274
  525    HG2  GLN  68          2HG       GLN  68  -3.962   1.922  11.286
  526    HG3  GLN  68          1HG       GLN  68  -3.802   3.671  11.428
  527   HE21  GLN  68          1HE2      GLN  68  -4.888   1.750  13.332
  528   HE22  GLN  68          2HE2      GLN  68  -6.504   2.261  13.665
  529    H    SER  69           H        SER  69  -4.132   0.709   7.626
  530    HA   SER  69           HA       SER  69  -2.844  -1.167   9.323
  531    HB2  SER  69          2HB       SER  69  -4.927  -1.654   8.036
  532    HB3  SER  69          1HB       SER  69  -4.008  -1.588   6.537
  533    HG   SER  69           HG       SER  69  -2.780  -3.366   7.336
  534    H    MET  70           H        MET  70  -1.930   0.282   6.179
  535    HA   MET  70           HA       MET  70   0.222  -1.605   5.663
  536    HB2  MET  70          2HB       MET  70   0.579  -0.493   3.593
  537    HB3  MET  70          1HB       MET  70  -1.165  -0.442   3.844
  538    HG2  MET  70          2HG       MET  70  -1.008   1.904   4.525
  539    HG3  MET  70          1HG       MET  70   0.744   1.857   4.355
  540    HE1  MET  70          1HE       MET  70  -1.916   0.157   1.922
  541    HE2  MET  70          2HE       MET  70  -2.185   1.478   0.783
  542    HE3  MET  70          3HE       MET  70  -2.702   1.643   2.462
  543    H    VAL  71           H        VAL  71  -0.049   1.655   7.002
  544    HA   VAL  71           HA       VAL  71   2.767   2.160   7.235
  545    HB   VAL  71           HB       VAL  71   0.366   3.385   8.660
  546   HG11  VAL  71          1HG1      VAL  71   1.875   5.180   9.510
  547   HG12  VAL  71          2HG1      VAL  71   3.268   4.298   8.884
  548   HG13  VAL  71          3HG1      VAL  71   2.301   3.602  10.183
  549   HG21  VAL  71          1HG2      VAL  71   2.162   4.469   6.462
  550   HG22  VAL  71          2HG2      VAL  71   0.831   5.345   7.214
  551   HG23  VAL  71          3HG2      VAL  71   0.503   3.894   6.264
  552    H    ALA  72           H        ALA  72   0.249   0.937   9.441
  553    HA   ALA  72           HA       ALA  72   1.843   0.753  11.751
  554    HB1  ALA  72          1HB       ALA  72  -0.653  -0.847  11.076
  555    HB2  ALA  72          2HB       ALA  72  -0.621   0.750  11.828
  556    HB3  ALA  72          3HB       ALA  72   0.045  -0.638  12.687
  557    H    LEU  73           H        LEU  73   1.303  -1.495   9.095
  558    HA   LEU  73           HA       LEU  73   2.487  -3.843  10.039
  559    HB2  LEU  73          2HB       LEU  73   1.308  -4.091   8.032
  560    HB3  LEU  73          1HB       LEU  73   1.877  -2.565   7.389
  561    HG   LEU  73           HG       LEU  73   4.140  -3.699   7.066
  562   HD11  LEU  73          1HD1      LEU  73   3.878  -5.655   8.464
  563   HD12  LEU  73          2HD1      LEU  73   4.169  -6.142   6.794
  564   HD13  LEU  73          3HD1      LEU  73   2.539  -6.234   7.468
  565   HD21  LEU  73          1HD2      LEU  73   1.816  -4.658   5.392
  566   HD22  LEU  73          2HD2      LEU  73   3.511  -4.614   4.897
  567   HD23  LEU  73          3HD2      LEU  73   2.652  -3.112   5.238
  568    H    VAL  74           H        VAL  74   3.820  -1.014   8.348
  569    HA   VAL  74           HA       VAL  74   6.517  -1.882   8.289
  570    HB   VAL  74           HB       VAL  74   5.411   0.954   8.087
  571   HG11  VAL  74          1HG1      VAL  74   7.580   1.557   7.033
  572   HG12  VAL  74          2HG1      VAL  74   8.191  -0.067   7.353
  573   HG13  VAL  74          3HG1      VAL  74   7.806   1.010   8.697
  574   HG21  VAL  74          1HG2      VAL  74   6.197  -0.997   5.871
  575   HG22  VAL  74          2HG2      VAL  74   5.650   0.663   5.627
  576   HG23  VAL  74          3HG2      VAL  74   4.548  -0.538   6.304
  577    H    GLN  75           H        GLN  75   4.607  -0.088  10.672
  578    HA   GLN  75           HA       GLN  75   6.826   0.675  12.335
  579    HB2  GLN  75          2HB       GLN  75   3.877   0.494  13.077
  580    HB3  GLN  75          1HB       GLN  75   5.119   1.360  13.974
  581    HG2  GLN  75          2HG       GLN  75   4.237   2.040  11.151
  582    HG3  GLN  75          1HG       GLN  75   3.631   2.825  12.601
  583   HE21  GLN  75          1HE2      GLN  75   4.302   4.825  11.854
  584   HE22  GLN  75          2HE2      GLN  75   5.958   5.312  11.834
  585    H    ARG  76           H        ARG  76   5.011  -2.246  11.965
  586    HA   ARG  76           HA       ARG  76   5.725  -3.428  14.511
  587    HB2  ARG  76          2HB       ARG  76   4.575  -4.651  11.967
  588    HB3  ARG  76          1HB       ARG  76   4.897  -5.586  13.426
  589    HG2  ARG  76          2HG       ARG  76   2.952  -3.263  13.202
  590    HG3  ARG  76          1HG       ARG  76   2.524  -4.974  13.270
  591    HD2  ARG  76          2HD       ARG  76   3.360  -5.171  15.527
  592    HD3  ARG  76          1HD       ARG  76   4.047  -3.541  15.476
  593    HE   ARG  76           HE       ARG  76   1.413  -3.100  15.013
  594   HH11  ARG  76          1HH1      ARG  76   3.084  -4.804  17.575
  595   HH12  ARG  76          2HH1      ARG  76   1.872  -4.449  18.761
  596   HH21  ARG  76          1HH2      ARG  76  -0.139  -2.605  16.593
  597   HH22  ARG  76          2HH2      ARG  76   0.055  -3.207  18.212
  598    H    LEU  77           H        LEU  77   6.862  -3.729  11.112
  599    HA   LEU  77           HA       LEU  77   8.923  -5.593  11.763
  600    HB2  LEU  77          2HB       LEU  77   9.830  -5.214   9.488
  601    HB3  LEU  77          1HB       LEU  77   8.122  -5.599   9.507
  602    HG   LEU  77           HG       LEU  77   7.725  -3.056   9.253
  603   HD11  LEU  77          1HD1      LEU  77  10.635  -3.068   8.419
  604   HD12  LEU  77          2HD1      LEU  77   9.890  -2.149   9.736
  605   HD13  LEU  77          3HD1      LEU  77   9.476  -1.780   8.065
  606   HD21  LEU  77          1HD2      LEU  77   7.217  -4.650   7.498
  607   HD22  LEU  77          2HD2      LEU  77   8.889  -4.605   6.931
  608   HD23  LEU  77          3HD2      LEU  77   7.874  -3.164   6.815
  609    H    LYS  78           H        LYS  78   8.752  -2.098  11.837
  610    HA   LYS  78           HA       LYS  78  11.408  -1.277  11.969
  611    HB2  LYS  78          2HB       LYS  78   8.898  -0.294  13.341
  612    HB3  LYS  78          1HB       LYS  78  10.434   0.468  13.697
  613    HG2  LYS  78          2HG       LYS  78   9.201   0.297  10.930
  614    HG3  LYS  78          1HG       LYS  78   9.088   1.693  12.006
  615    HD2  LYS  78          2HD       LYS  78  11.616   1.816  11.986
  616    HD3  LYS  78          1HD       LYS  78  11.625   0.544  10.753
  617    HE2  LYS  78          2HE       LYS  78  10.427   1.991   9.198
  618    HE3  LYS  78          1HE       LYS  78  10.218   3.228  10.442
  619    HZ1  LYS  78          1HZ       LYS  78  12.829   2.316   9.391
  620    HZ2  LYS  78          2HZ       LYS  78  12.562   3.561  10.502
  621    HZ3  LYS  78          3HZ       LYS  78  12.021   3.721   8.910
  622    H    ALA  79           H        ALA  79   9.667  -3.207  14.259
  623    HA   ALA  79           HA       ALA  79  11.392  -2.783  16.515
  624    HB1  ALA  79          1HB       ALA  79   9.326  -4.949  15.997
  625    HB2  ALA  79          2HB       ALA  79   9.016  -3.395  16.771
  626    HB3  ALA  79          3HB       ALA  79  10.066  -4.573  17.559
  627    H    HIS  80           H        HIS  80  12.285  -4.089  13.672
  628    HA   HIS  80           HA       HIS  80  13.368  -6.620  14.389
  629    HB2  HIS  80          2HB       HIS  80  14.671  -6.530  12.292
  630    HB3  HIS  80          1HB       HIS  80  12.980  -6.148  12.020
  631    HD1  HIS  80           HD1      HIS  80  16.288  -4.250  12.392
  632    HD2  HIS  80           HD2      HIS  80  12.625  -3.937  10.468
  633    HE1  HIS  80           HE1      HIS  80  16.489  -2.266  10.875
  634    HE2  HIS  80           HE2      HIS  80  14.336  -2.248   9.569
  635    HA   PRO  81           HA       PRO  81  17.128  -4.998  16.484
  636    HB2  PRO  81          2HB       PRO  81  17.689  -7.811  17.156
  637    HB3  PRO  81          1HB       PRO  81  17.266  -6.489  18.257
  638    HG2  PRO  81          2HG       PRO  81  15.594  -8.592  17.778
  639    HG3  PRO  81          1HG       PRO  81  15.018  -6.969  18.209
  640    HD2  PRO  81          2HD       PRO  81  15.161  -8.244  15.476
  641    HD3  PRO  81          1HD       PRO  81  13.861  -7.267  16.204
  642    H    GLU  82           H        GLU  82  16.863  -7.928  14.529
  643    HA   GLU  82           HA       GLU  82  19.048  -7.157  12.763
  644    HB2  GLU  82          2HB       GLU  82  20.157  -8.473  14.585
  645    HB3  GLU  82          1HB       GLU  82  19.049  -9.810  14.291
  646    HG2  GLU  82          2HG       GLU  82  19.984 -10.084  12.012
  647    HG3  GLU  82          1HG       GLU  82  21.093  -8.743  12.312
  648    H    GLN  83           H        GLN  83  18.767  -7.994  10.724
  649    HA   GLN  83           HA       GLN  83  16.925 -10.175  10.189
  650    HB2  GLN  83          2HB       GLN  83  15.618  -8.871   8.485
  651    HB3  GLN  83          1HB       GLN  83  15.339  -8.340  10.138
  652    HG2  GLN  83          2HG       GLN  83  16.611  -6.346   9.834
  653    HG3  GLN  83          1HG       GLN  83  17.304  -6.931   8.321
  654   HE21  GLN  83          1HE2      GLN  83  13.868  -7.140   9.192
  655   HE22  GLN  83          2HE2      GLN  83  13.330  -6.031   7.982
  656    H    GLY  84           H        GLY  84  17.408 -11.244   8.272
  657    HA2  GLY  84          2HA       GLY  84  19.943 -10.585   6.954
  658    HA3  GLY  84          1HA       GLY  84  19.006 -12.063   6.782
  659    H    GLY  85           H        GLY  85  19.475  -8.816   5.595
  660    HA2  GLY  85          2HA       GLY  85  18.208  -9.363   3.071
  661    HA3  GLY  85          1HA       GLY  85  17.228  -8.299   4.081
  662    H    ALA  86           H        ALA  86  20.468  -8.696   2.710
  663    HA   ALA  86           HA       ALA  86  21.306  -5.968   3.096
  664    HB1  ALA  86          1HB       ALA  86  22.945  -7.809   3.039
  665    HB2  ALA  86          2HB       ALA  86  23.289  -6.630   1.771
  666    HB3  ALA  86          3HB       ALA  86  22.511  -8.164   1.365
  667    H    ALA  87           H        ALA  87  20.430  -7.920   0.205
  668    HA   ALA  87           HA       ALA  87  19.029  -5.814  -1.098
  669    HB1  ALA  87          1HB       ALA  87  21.312  -4.937  -1.506
  670    HB2  ALA  87          2HB       ALA  87  20.542  -5.415  -3.017
  671    HB3  ALA  87          3HB       ALA  87  21.769  -6.453  -2.285
  672    H    LEU  88           H        LEU  88  17.989  -6.511  -3.022
  673    HA   LEU  88           HA       LEU  88  17.975  -9.331  -3.683
  674    HB2  LEU  88          2HB       LEU  88  15.973  -7.681  -3.734
  675    HB3  LEU  88          1HB       LEU  88  16.648  -7.070  -5.226
  676    HG   LEU  88           HG       LEU  88  14.768  -8.639  -5.575
  677   HD11  LEU  88          1HD1      LEU  88  16.409  -8.419  -7.361
  678   HD12  LEU  88          2HD1      LEU  88  15.730 -10.045  -7.309
  679   HD13  LEU  88          3HD1      LEU  88  17.352  -9.745  -6.676
  680   HD21  LEU  88          1HD2      LEU  88  14.988 -11.038  -5.128
  681   HD22  LEU  88          2HD2      LEU  88  15.073 -10.097  -3.641
  682   HD23  LEU  88          3HD2      LEU  88  16.549 -10.762  -4.348
  683    H    GLU  89           H        GLU  89  19.891  -9.925  -4.525
  684    HA   GLU  89           HA       GLU  89  21.523  -8.306  -6.228
  685    HB2  GLU  89          2HB       GLU  89  22.947 -10.379  -6.345
  686    HB3  GLU  89          1HB       GLU  89  22.617  -9.810  -4.714
  687    HG2  GLU  89          2HG       GLU  89  20.800 -11.546  -4.550
  688    HG3  GLU  89          1HG       GLU  89  21.327 -12.181  -6.108
  689   H282  PNS 101          3H28      PNS 136   1.405  -8.806  -2.351
  690   H281  PNS 101          2H28      PNS 136   1.148  -9.045  -4.078
  691   H303  PNS 101          3H51      PNS 136   3.624  -8.837  -4.369
  692   H302  PNS 101          2H51      PNS 136   3.827  -8.675  -2.624
  693   H301  PNS 101          1H51      PNS 136   4.720  -9.927  -3.500
  694   H313  PNS 101          3H52      PNS 136   2.426 -10.792  -5.324
  695   H312  PNS 101          2H52      PNS 136   1.733 -12.021  -4.265
  696   H311  PNS 101          1H52      PNS 136   3.493 -11.907  -4.453
  697    H32  PNS 101           H32      PNS 136   2.906 -10.429  -1.085
  698    H33  PNS 101           H33      PNS 136   0.960 -11.583  -1.571
  699    H36  PNS 101           H36      PNS 136   3.158 -13.503  -2.680
  700   H372  PNS 101          3H37      PNS 136   5.970 -13.893  -1.867
  701   H371  PNS 101          2H37      PNS 136   4.754 -15.148  -2.068
  702   H382  PNS 101          3H38      PNS 136   6.337 -15.298  -3.884
  703   H381  PNS 101          2H38      PNS 136   4.777 -14.783  -4.514
  704    H41  PNS 101           H41      PNS 136   4.673 -12.839  -5.679
  705   H422  PNS 101          3H42      PNS 136   6.868 -11.736  -6.929
  706   H421  PNS 101          2H42      PNS 136   6.602 -10.730  -5.505
  707   H431  PNS 101          2H43      PNS 136   4.306 -10.255  -6.274
  708   H432  PNS 101          3H43      PNS 136   5.493  -9.786  -7.504
  709    H44  PNS 101           H44      PNS 136   3.612 -12.655  -7.504
  Start of MODEL    9
    1    H1   MET   1          1H        MET   1   2.928  15.940  -0.442
    2    H2   MET   1          2H        MET   1   1.524  16.869  -0.322
    3    H3   MET   1          3H        MET   1   1.748  15.847  -1.645
    4    HA   MET   1           HA       MET   1   1.482  14.986   1.162
    5    HB2  MET   1          2HB       MET   1  -0.528  14.942  -1.127
    6    HB3  MET   1          1HB       MET   1  -0.746  14.058   0.378
    7    HG2  MET   1          2HG       MET   1  -0.594  16.264   1.597
    8    HG3  MET   1          1HG       MET   1  -0.629  17.056   0.020
    9    HE1  MET   1          1HE       MET   1  -2.631  14.820   2.589
   10    HE2  MET   1          2HE       MET   1  -2.635  13.788   1.153
   11    HE3  MET   1          3HE       MET   1  -4.133  14.524   1.706
   12    H    LEU   2           H        LEU   2   2.435  13.105   1.475
   13    HA   LEU   2           HA       LEU   2   3.863  11.775  -0.622
   14    HB2  LEU   2          2HB       LEU   2   4.726  12.204   1.697
   15    HB3  LEU   2          1HB       LEU   2   3.571  11.038   2.315
   16    HG   LEU   2           HG       LEU   2   4.721   9.278   0.861
   17   HD11  LEU   2          1HD1      LEU   2   7.004   9.745   0.081
   18   HD12  LEU   2          2HD1      LEU   2   6.816  11.443   0.525
   19   HD13  LEU   2          3HD1      LEU   2   5.806  10.739  -0.743
   20   HD21  LEU   2          1HD2      LEU   2   5.119   9.386   3.278
   21   HD22  LEU   2          2HD2      LEU   2   6.422  10.552   3.030
   22   HD23  LEU   2          3HD2      LEU   2   6.577   8.905   2.412
   23    H    GLU   3           H        GLU   3   1.102  10.879   1.473
   24    HA   GLU   3           HA       GLU   3   0.991   8.155   0.575
   25    HB2  GLU   3          2HB       GLU   3  -0.907   7.870   1.952
   26    HB3  GLU   3          1HB       GLU   3   0.160   8.956   2.826
   27    HG2  GLU   3          2HG       GLU   3  -2.271   9.823   1.238
   28    HG3  GLU   3          1HG       GLU   3  -2.250   9.534   2.968
   29    H    SER   4           H        SER   4  -0.365  11.122  -0.563
   30    HA   SER   4           HA       SER   4  -2.326  10.030  -2.341
   31    HB2  SER   4          2HB       SER   4  -0.892  12.727  -2.437
   32    HB3  SER   4          1HB       SER   4  -2.348  12.304  -3.345
   33    HG   SER   4           HG       SER   4  -2.147  12.273  -0.505
   34    H    LYS   5           H        LYS   5   1.128  10.304  -2.455
   35    HA   LYS   5           HA       LYS   5   1.429  10.141  -5.319
   36    HB2  LYS   5          2HB       LYS   5   3.069  11.187  -3.567
   37    HB3  LYS   5          1HB       LYS   5   3.623   9.548  -3.298
   38    HG2  LYS   5          2HG       LYS   5   3.724  10.982  -5.981
   39    HG3  LYS   5          1HG       LYS   5   5.066  10.902  -4.842
   40    HD2  LYS   5          2HD       LYS   5   4.900   8.336  -5.074
   41    HD3  LYS   5          1HD       LYS   5   3.823   8.630  -6.434
   42    HE2  LYS   5          2HE       LYS   5   6.724   9.503  -6.213
   43    HE3  LYS   5          1HE       LYS   5   6.090   8.200  -7.219
   44    HZ1  LYS   5          1HZ       LYS   5   6.425  10.098  -8.575
   45    HZ2  LYS   5          2HZ       LYS   5   5.578  11.103  -7.521
   46    HZ3  LYS   5          3HZ       LYS   5   4.757   9.913  -8.394
   47    H    LEU   6           H        LEU   6   1.445   7.786  -2.579
   48    HA   LEU   6           HA       LEU   6   2.310   5.562  -4.144
   49    HB2  LEU   6          2HB       LEU   6   1.663   4.104  -2.313
   50    HB3  LEU   6          1HB       LEU   6   2.465   5.523  -1.688
   51    HG   LEU   6           HG       LEU   6  -0.069   6.348  -1.332
   52   HD11  LEU   6          1HD1      LEU   6  -1.175   4.410  -2.273
   53   HD12  LEU   6          2HD1      LEU   6  -1.552   4.559  -0.561
   54   HD13  LEU   6          3HD1      LEU   6  -0.386   3.348  -1.103
   55   HD21  LEU   6          1HD2      LEU   6   1.660   6.193   0.420
   56   HD22  LEU   6          2HD2      LEU   6   1.280   4.481   0.641
   57   HD23  LEU   6          3HD2      LEU   6   0.064   5.721   0.998
   58    H    ILE   7           H        ILE   7  -0.797   7.088  -3.584
   59    HA   ILE   7           HA       ILE   7  -2.497   5.082  -4.692
   60    HB   ILE   7           HB       ILE   7  -2.930   8.092  -4.474
   61   HG12  ILE   7          2HG1      ILE   7  -3.988   5.910  -2.622
   62   HG13  ILE   7          1HG1      ILE   7  -2.548   6.863  -2.280
   63   HG21  ILE   7          1HG2      ILE   7  -5.022   5.930  -4.937
   64   HG22  ILE   7          2HG2      ILE   7  -4.443   7.058  -6.161
   65   HG23  ILE   7          3HG2      ILE   7  -5.334   7.660  -4.760
   66   HD11  ILE   7          1HD1      ILE   7  -3.914   8.904  -2.260
   67   HD12  ILE   7          2HD1      ILE   7  -4.451   7.721  -1.070
   68   HD13  ILE   7          3HD1      ILE   7  -5.357   7.931  -2.566
   69    H    ASN   8           H        ASN   8  -1.326   8.215  -6.081
   70    HA   ASN   8           HA       ASN   8  -2.750   7.897  -8.512
   71    HB2  ASN   8          2HB       ASN   8  -1.786   9.969  -9.221
   72    HB3  ASN   8          1HB       ASN   8  -2.055  10.109  -7.493
   73   HD21  ASN   8          1HD2      ASN   8  -0.323  11.709  -9.086
   74   HD22  ASN   8          2HD2      ASN   8   1.285  11.476  -8.498
   75    H    HIS   9           H        HIS   9   0.342   6.809  -7.499
   76    HA   HIS   9           HA       HIS   9   1.732   6.519  -9.902
   77    HB2  HIS   9          2HB       HIS   9   2.706   6.242  -7.621
   78    HB3  HIS   9          1HB       HIS   9   1.860   4.706  -7.450
   79    HD1  HIS   9           HD1      HIS   9   5.103   5.910  -8.183
   80    HD2  HIS   9           HD2      HIS   9   2.743   2.896  -9.808
   81    HE1  HIS   9           HE1      HIS   9   6.692   4.406  -9.401
   82    HE2  HIS   9           HE2      HIS   9   5.272   2.460 -10.121
   83    H    ILE  10           H        ILE  10  -0.040   3.837  -8.176
   84    HA   ILE  10           HA       ILE  10  -0.168   2.327 -10.661
   85    HB   ILE  10           HB       ILE  10  -1.444   0.603  -9.291
   86   HG12  ILE  10          2HG1      ILE  10  -0.862   0.834  -6.714
   87   HG13  ILE  10          1HG1      ILE  10  -0.833   2.551  -7.044
   88   HG21  ILE  10          1HG2      ILE  10   1.387   1.265  -8.476
   89   HG22  ILE  10          2HG2      ILE  10   0.870   0.308  -9.866
   90   HG23  ILE  10          3HG2      ILE  10   0.588  -0.293  -8.232
   91   HD11  ILE  10          1HD1      ILE  10  -3.162   0.680  -7.413
   92   HD12  ILE  10          2HD1      ILE  10  -3.161   2.407  -7.784
   93   HD13  ILE  10          3HD1      ILE  10  -2.938   1.862  -6.122
   94    H    ALA  11           H        ALA  11  -2.359   4.395  -8.843
   95    HA   ALA  11           HA       ALA  11  -4.820   3.858  -9.938
   96    HB1  ALA  11          1HB       ALA  11  -3.655   6.627  -9.540
   97    HB2  ALA  11          2HB       ALA  11  -4.409   5.645  -8.284
   98    HB3  ALA  11          3HB       ALA  11  -5.371   6.220  -9.647
   99    H    THR  12           H        THR  12  -1.999   5.022 -11.609
  100    HA   THR  12           HA       THR  12  -3.102   6.070 -13.965
  101    HB   THR  12           HB       THR  12  -0.479   4.548 -13.722
  102    HG1  THR  12           HG1      THR  12  -0.463   6.142 -12.167
  103   HG21  THR  12          1HG2      THR  12   0.297   6.039 -15.527
  104   HG22  THR  12          2HG2      THR  12  -1.296   6.796 -15.609
  105   HG23  THR  12          3HG2      THR  12  -1.099   5.102 -16.065
  106    H    GLN  13           H        GLN  13  -2.126   2.732 -13.159
  107    HA   GLN  13           HA       GLN  13  -3.190   1.656 -15.687
  108    HB2  GLN  13          2HB       GLN  13  -2.118  -0.458 -15.011
  109    HB3  GLN  13          1HB       GLN  13  -0.967   0.870 -14.936
  110    HG2  GLN  13          2HG       GLN  13  -1.171   0.967 -12.507
  111    HG3  GLN  13          1HG       GLN  13  -2.426  -0.263 -12.531
  112   HE21  GLN  13          1HE2      GLN  13   0.986   0.350 -12.807
  113   HE22  GLN  13          2HE2      GLN  13   1.495  -1.300 -12.726
  114    H    PHE  14           H        PHE  14  -4.153   2.090 -12.443
  115    HA   PHE  14           HA       PHE  14  -5.958  -0.211 -12.358
  116    HB2  PHE  14          2HB       PHE  14  -4.539   1.464 -10.319
  117    HB3  PHE  14          1HB       PHE  14  -6.196   1.039  -9.878
  118    HD1  PHE  14           HD1      PHE  14  -5.601  -0.416  -8.019
  119    HD2  PHE  14           HD2      PHE  14  -3.960  -1.147 -11.909
  120    HE1  PHE  14           HE1      PHE  14  -4.913  -2.656  -7.334
  121    HE2  PHE  14           HE2      PHE  14  -3.267  -3.383 -11.194
  122    HZ   PHE  14           HZ       PHE  14  -3.750  -4.149  -8.908
  123    H    LEU  15           H        LEU  15  -6.044   3.286 -12.607
  124    HA   LEU  15           HA       LEU  15  -9.022   3.283 -12.582
  125    HB2  LEU  15          2HB       LEU  15  -7.321   5.426 -11.258
  126    HB3  LEU  15          1HB       LEU  15  -9.071   5.284 -11.222
  127    HG   LEU  15           HG       LEU  15  -7.105   3.433  -9.805
  128   HD11  LEU  15          1HD1      LEU  15  -7.174   5.687  -8.852
  129   HD12  LEU  15          2HD1      LEU  15  -7.844   4.491  -7.765
  130   HD13  LEU  15          3HD1      LEU  15  -8.925   5.571  -8.642
  131   HD21  LEU  15          1HD2      LEU  15 -10.156   3.469  -9.674
  132   HD22  LEU  15          2HD2      LEU  15  -9.086   2.492  -8.663
  133   HD23  LEU  15          3HD2      LEU  15  -9.147   2.211 -10.398
  134    H    ASP  16           H        ASP  16  -6.583   3.732 -14.612
  135    HA   ASP  16           HA       ASP  16  -6.355   4.766 -16.623
  136    HB2  ASP  16          2HB       ASP  16  -8.923   4.638 -16.670
  137    HB3  ASP  16          1HB       ASP  16  -8.952   6.273 -16.066
  138    H    GLY  17           H        GLY  17  -5.408   5.928 -14.038
  139    HA2  GLY  17          2HA       GLY  17  -3.934   7.664 -13.577
  140    HA3  GLY  17          1HA       GLY  17  -4.418   8.476 -15.054
  141    H    GLU  18           H        GLU  18  -7.010   7.500 -13.067
  142    HA   GLU  18           HA       GLU  18  -7.391  10.245 -12.016
  143    HB2  GLU  18          2HB       GLU  18  -9.652  10.019 -12.431
  144    HB3  GLU  18          1HB       GLU  18  -9.131   8.783 -13.578
  145    HG2  GLU  18          2HG       GLU  18  -9.517   7.066 -11.765
  146    HG3  GLU  18          1HG       GLU  18 -10.213   8.345 -10.773
  147    H    LYS  19           H        LYS  19  -7.819  10.483  -9.745
  148    HA   LYS  19           HA       LYS  19  -7.491   8.055  -8.066
  149    HB2  LYS  19          2HB       LYS  19  -7.439  10.955  -7.155
  150    HB3  LYS  19          1HB       LYS  19  -7.109   9.524  -6.178
  151    HG2  LYS  19          2HG       LYS  19  -5.187   9.078  -7.885
  152    HG3  LYS  19          1HG       LYS  19  -5.392  10.777  -8.315
  153    HD2  LYS  19          2HD       LYS  19  -4.873   9.778  -5.496
  154    HD3  LYS  19          1HD       LYS  19  -3.607  10.330  -6.586
  155    HE2  LYS  19          2HE       LYS  19  -4.053  12.182  -5.160
  156    HE3  LYS  19          1HE       LYS  19  -4.865  12.575  -6.671
  157    HZ1  LYS  19          1HZ       LYS  19  -6.231  13.083  -4.772
  158    HZ2  LYS  19          2HZ       LYS  19  -6.168  11.487  -4.234
  159    HZ3  LYS  19          3HZ       LYS  19  -6.954  11.865  -5.681
  160    H    ASP  20           H        ASP  20  -9.457   7.141  -7.924
  161    HA   ASP  20           HA       ASP  20 -11.669   8.536  -6.685
  162    HB2  ASP  20          2HB       ASP  20 -11.885   9.198  -9.092
  163    HB3  ASP  20          1HB       ASP  20 -11.996   7.498  -9.538
  164    H    GLY  21           H        GLY  21 -12.463   7.133  -5.297
  165    HA2  GLY  21          2HA       GLY  21 -13.328   5.158  -4.421
  166    HA3  GLY  21          1HA       GLY  21 -12.830   4.289  -5.863
  167    H    LEU  22           H        LEU  22 -10.097   5.292  -5.736
  168    HA   LEU  22           HA       LEU  22  -8.967   3.663  -3.573
  169    HB2  LEU  22          2HB       LEU  22  -8.292   3.251  -5.945
  170    HB3  LEU  22          1HB       LEU  22  -7.688   4.889  -6.039
  171    HG   LEU  22           HG       LEU  22  -5.998   4.288  -4.238
  172   HD11  LEU  22          1HD1      LEU  22  -7.136   2.354  -3.257
  173   HD12  LEU  22          2HD1      LEU  22  -5.521   1.917  -3.806
  174   HD13  LEU  22          3HD1      LEU  22  -6.931   1.446  -4.758
  175   HD21  LEU  22          1HD2      LEU  22  -5.849   2.710  -6.827
  176   HD22  LEU  22          2HD2      LEU  22  -4.491   3.154  -5.789
  177   HD23  LEU  22          3HD2      LEU  22  -5.407   4.408  -6.617
  178    H    ASP  23           H        ASP  23  -8.774   4.872  -1.827
  179    HA   ASP  23           HA       ASP  23  -6.941   7.130  -1.873
  180    HB2  ASP  23          2HB       ASP  23  -9.040   8.340  -1.894
  181    HB3  ASP  23          1HB       ASP  23  -9.745   7.278  -0.683
  182    H    SER  24           H        SER  24  -5.936   7.455   0.181
  183    HA   SER  24           HA       SER  24  -4.997   5.095   1.300
  184    HB2  SER  24          2HB       SER  24  -4.895   7.919   2.430
  185    HB3  SER  24          1HB       SER  24  -3.824   6.599   2.877
  186    HG   SER  24           HG       SER  24  -3.210   6.558   0.597
  187    H    GLN  25           H        GLN  25  -7.443   7.375   2.629
  188    HA   GLN  25           HA       GLN  25  -7.760   5.785   5.066
  189    HB2  GLN  25          2HB       GLN  25  -9.091   8.361   4.139
  190    HB3  GLN  25          1HB       GLN  25  -9.387   7.593   5.701
  191    HG2  GLN  25          2HG       GLN  25  -7.017   7.886   6.309
  192    HG3  GLN  25          1HG       GLN  25  -6.706   8.636   4.741
  193   HE21  GLN  25          1HE2      GLN  25  -8.321   9.013   7.820
  194   HE22  GLN  25          2HE2      GLN  25  -8.529  10.724   7.715
  195    H    THR  26           H        THR  26  -9.114   5.808   1.984
  196    HA   THR  26           HA       THR  26 -11.764   4.877   2.576
  197    HB   THR  26           HB       THR  26 -10.100   4.800   0.019
  198    HG1  THR  26           HG1      THR  26 -10.707   6.897   0.979
  199   HG21  THR  26          1HG2      THR  26 -13.090   4.362   0.364
  200   HG22  THR  26          2HG2      THR  26 -11.917   3.145  -0.139
  201   HG23  THR  26          3HG2      THR  26 -12.243   4.528  -1.186
  202    HA   PRO  27           HA       PRO  27 -10.622   0.587   3.472
  203    HB2  PRO  27          2HB       PRO  27 -13.041  -0.647   3.014
  204    HB3  PRO  27          1HB       PRO  27 -12.712   0.324   4.468
  205    HG2  PRO  27          2HG       PRO  27 -14.148   1.138   1.954
  206    HG3  PRO  27          1HG       PRO  27 -14.594   1.451   3.645
  207    HD2  PRO  27          2HD       PRO  27 -13.392   3.333   2.127
  208    HD3  PRO  27          1HD       PRO  27 -13.053   3.205   3.863
  209    H    LEU  28           H        LEU  28  -9.196   0.008   1.898
  210    HA   LEU  28           HA       LEU  28  -9.802  -0.122  -0.895
  211    HB2  LEU  28          2HB       LEU  28  -7.377  -1.242   0.565
  212    HB3  LEU  28          1HB       LEU  28  -7.495  -0.895  -1.154
  213    HG   LEU  28           HG       LEU  28  -7.404   1.118   1.124
  214   HD11  LEU  28          1HD1      LEU  28  -5.225   0.207   0.522
  215   HD12  LEU  28          2HD1      LEU  28  -5.342   1.907   0.082
  216   HD13  LEU  28          3HD1      LEU  28  -5.473   0.665  -1.166
  217   HD21  LEU  28          1HD2      LEU  28  -7.908   1.675  -1.818
  218   HD22  LEU  28          2HD2      LEU  28  -7.517   2.895  -0.603
  219   HD23  LEU  28          3HD2      LEU  28  -9.009   1.973  -0.467
  220    H    PHE  29           H        PHE  29  -9.982  -2.404   1.708
  221    HA   PHE  29           HA       PHE  29 -10.065  -4.752  -0.005
  222    HB2  PHE  29          2HB       PHE  29  -9.606  -4.277   2.843
  223    HB3  PHE  29          1HB       PHE  29 -10.882  -5.477   2.661
  224    HD1  PHE  29           HD1      PHE  29  -7.690  -4.652   0.921
  225    HD2  PHE  29           HD2      PHE  29 -10.060  -7.702   2.758
  226    HE1  PHE  29           HE1      PHE  29  -6.016  -6.300   0.356
  227    HE2  PHE  29           HE2      PHE  29  -8.346  -9.371   2.174
  228    HZ   PHE  29           HZ       PHE  29  -6.323  -8.674   0.956
  229    H    GLU  30           H        GLU  30 -12.348  -2.983   2.085
  230    HA   GLU  30           HA       GLU  30 -14.528  -4.755   1.738
  231    HB2  GLU  30          2HB       GLU  30 -14.572  -1.804   2.498
  232    HB3  GLU  30          1HB       GLU  30 -15.905  -2.940   2.720
  233    HG2  GLU  30          2HG       GLU  30 -14.454  -4.281   4.239
  234    HG3  GLU  30          1HG       GLU  30 -13.198  -3.056   4.074
  235    H    LEU  31           H        LEU  31 -13.406  -2.014  -0.115
  236    HA   LEU  31           HA       LEU  31 -15.680  -2.148  -1.979
  237    HB2  LEU  31          2HB       LEU  31 -13.266  -0.303  -2.075
  238    HB3  LEU  31          1HB       LEU  31 -14.774  -0.131  -2.965
  239    HG   LEU  31           HG       LEU  31 -14.319   0.292   0.009
  240   HD11  LEU  31          1HD1      LEU  31 -14.990   2.589  -0.429
  241   HD12  LEU  31          2HD1      LEU  31 -15.193   2.226  -2.147
  242   HD13  LEU  31          3HD1      LEU  31 -13.593   2.130  -1.403
  243   HD21  LEU  31          1HD2      LEU  31 -16.983   0.298  -1.456
  244   HD22  LEU  31          2HD2      LEU  31 -16.722   0.888   0.187
  245   HD23  LEU  31          3HD2      LEU  31 -16.464  -0.814  -0.179
  246    H    ASN  32           H        ASN  32 -12.414  -3.218  -1.580
  247    HA   ASN  32           HA       ASN  32 -10.963  -4.483  -2.752
  248    HB2  ASN  32          2HB       ASN  32 -12.962  -6.005  -2.866
  249    HB3  ASN  32          1HB       ASN  32 -13.407  -5.287  -4.407
  250   HD21  ASN  32          1HD2      ASN  32 -12.315  -5.934  -6.261
  251   HD22  ASN  32          2HD2      ASN  32 -11.164  -7.228  -6.288
  252    H    ILE  33           H        ILE  33 -10.700  -1.935  -3.338
  253    HA   ILE  33           HA       ILE  33 -10.942  -1.358  -6.171
  254    HB   ILE  33           HB       ILE  33  -9.500   0.258  -4.018
  255   HG12  ILE  33          2HG1      ILE  33 -11.899  -0.023  -3.430
  256   HG13  ILE  33          1HG1      ILE  33 -11.568   1.639  -3.895
  257   HG21  ILE  33          1HG2      ILE  33  -8.768   0.896  -6.254
  258   HG22  ILE  33          2HG2      ILE  33  -9.825   2.162  -5.621
  259   HG23  ILE  33          3HG2      ILE  33 -10.441   1.016  -6.808
  260   HD11  ILE  33          1HD1      ILE  33 -12.541   1.215  -6.103
  261   HD12  ILE  33          2HD1      ILE  33 -13.677   0.885  -4.797
  262   HD13  ILE  33          3HD1      ILE  33 -12.883  -0.453  -5.627
  263    H    VAL  34           H        VAL  34  -8.217  -1.761  -3.870
  264    HA   VAL  34           HA       VAL  34  -6.312  -1.958  -6.094
  265    HB   VAL  34           HB       VAL  34  -5.726  -0.606  -4.071
  266   HG11  VAL  34          1HG1      VAL  34  -5.007  -1.683  -1.976
  267   HG12  VAL  34          2HG1      VAL  34  -5.483  -3.262  -2.605
  268   HG13  VAL  34          3HG1      VAL  34  -6.710  -2.027  -2.301
  269   HG21  VAL  34          1HG2      VAL  34  -3.376  -1.383  -3.865
  270   HG22  VAL  34          2HG2      VAL  34  -3.928  -1.380  -5.539
  271   HG23  VAL  34          3HG2      VAL  34  -3.815  -2.902  -4.652
  272    H    ASP  35           H        ASP  35  -5.010  -3.773  -6.462
  273    HA   ASP  35           HA       ASP  35  -6.005  -6.382  -5.494
  274    HB2  ASP  35          2HB       ASP  35  -6.524  -5.954  -7.870
  275    HB3  ASP  35          1HB       ASP  35  -4.845  -5.589  -8.211
  276    H    SER  36           H        SER  36  -4.363  -8.101  -5.768
  277    HA   SER  36           HA       SER  36  -2.159  -7.881  -4.101
  278    HB2  SER  36          2HB       SER  36  -3.444  -9.965  -4.899
  279    HB3  SER  36          1HB       SER  36  -2.459  -9.921  -6.362
  280    H    ALA  37           H        ALA  37  -2.384  -7.487  -7.625
  281    HA   ALA  37           HA       ALA  37   0.360  -7.627  -8.316
  282    HB1  ALA  37          1HB       ALA  37  -1.898  -6.208  -9.778
  283    HB2  ALA  37          2HB       ALA  37  -1.475  -7.914  -9.929
  284    HB3  ALA  37          3HB       ALA  37  -0.343  -6.678 -10.475
  285    H    ALA  38           H        ALA  38  -1.573  -4.891  -7.149
  286    HA   ALA  38           HA       ALA  38   0.439  -2.896  -7.900
  287    HB1  ALA  38          1HB       ALA  38  -2.172  -2.580  -6.397
  288    HB2  ALA  38          2HB       ALA  38  -1.918  -2.298  -8.119
  289    HB3  ALA  38          3HB       ALA  38  -1.130  -1.260  -6.930
  290    H    ILE  39           H        ILE  39  -0.243  -4.893  -5.176
  291    HA   ILE  39           HA       ILE  39   0.475  -3.181  -3.031
  292    HB   ILE  39           HB       ILE  39   0.677  -6.227  -3.154
  293   HG12  ILE  39          2HG1      ILE  39  -1.605  -5.414  -3.679
  294   HG13  ILE  39          1HG1      ILE  39  -1.569  -6.258  -2.138
  295   HG21  ILE  39          1HG2      ILE  39   0.617  -4.374  -0.730
  296   HG22  ILE  39          2HG2      ILE  39   1.976  -5.380  -1.254
  297   HG23  ILE  39          3HG2      ILE  39   0.494  -6.136  -0.654
  298   HD11  ILE  39          1HD1      ILE  39  -1.643  -3.264  -2.505
  299   HD12  ILE  39          2HD1      ILE  39  -1.626  -4.130  -0.961
  300   HD13  ILE  39          3HD1      ILE  39  -2.992  -4.309  -2.059
  301    H    PHE  40           H        PHE  40   2.353  -5.250  -5.175
  302    HA   PHE  40           HA       PHE  40   4.857  -5.223  -3.942
  303    HB2  PHE  40          2HB       PHE  40   4.349  -6.650  -5.880
  304    HB3  PHE  40          1HB       PHE  40   4.172  -5.237  -6.915
  305    HD1  PHE  40           HD1      PHE  40   6.703  -6.871  -4.660
  306    HD2  PHE  40           HD2      PHE  40   6.042  -4.587  -8.227
  307    HE1  PHE  40           HE1      PHE  40   9.102  -6.961  -5.174
  308    HE2  PHE  40           HE2      PHE  40   8.450  -4.694  -8.732
  309    HZ   PHE  40           HZ       PHE  40   9.981  -5.878  -7.204
  310    H    ASP  41           H        ASP  41   3.275  -2.750  -5.907
  311    HA   ASP  41           HA       ASP  41   5.584  -1.001  -6.038
  312    HB2  ASP  41          2HB       ASP  41   3.980  -0.966  -7.882
  313    HB3  ASP  41          1HB       ASP  41   2.658  -0.576  -6.779
  314    H    LEU  42           H        LEU  42   2.473  -1.065  -4.295
  315    HA   LEU  42           HA       LEU  42   2.644   1.343  -2.885
  316    HB2  LEU  42          2HB       LEU  42   1.351  -1.266  -1.988
  317    HB3  LEU  42          1HB       LEU  42   1.037   0.310  -1.272
  318    HG   LEU  42           HG       LEU  42   0.271  -0.602  -4.073
  319   HD11  LEU  42          1HD1      LEU  42  -2.038  -0.303  -3.303
  320   HD12  LEU  42          2HD1      LEU  42  -1.459   0.118  -1.688
  321   HD13  LEU  42          3HD1      LEU  42  -1.177  -1.500  -2.340
  322   HD21  LEU  42          1HD2      LEU  42   0.945   1.746  -4.187
  323   HD22  LEU  42          2HD2      LEU  42  -0.136   2.148  -2.851
  324   HD23  LEU  42          3HD2      LEU  42  -0.797   1.589  -4.390
  325    H    VAL  43           H        VAL  43   3.936  -1.834  -2.135
  326    HA   VAL  43           HA       VAL  43   4.798  -1.176   0.514
  327    HB   VAL  43           HB       VAL  43   4.191  -3.524  -0.250
  328   HG11  VAL  43          1HG1      VAL  43   6.936  -3.526  -1.551
  329   HG12  VAL  43          2HG1      VAL  43   5.379  -3.623  -2.379
  330   HG13  VAL  43          3HG1      VAL  43   5.897  -4.933  -1.318
  331   HG21  VAL  43          1HG2      VAL  43   6.868  -3.162   1.131
  332   HG22  VAL  43          2HG2      VAL  43   5.879  -4.622   1.187
  333   HG23  VAL  43          3HG2      VAL  43   5.275  -3.123   1.893
  334    H    ASP  44           H        ASP  44   6.270  -1.301  -2.735
  335    HA   ASP  44           HA       ASP  44   8.976  -1.062  -1.946
  336    HB2  ASP  44          2HB       ASP  44   8.233  -1.610  -4.302
  337    HB3  ASP  44          1HB       ASP  44   7.771   0.059  -4.518
  338    H    PHE  45           H        PHE  45   6.413   1.210  -2.572
  339    HA   PHE  45           HA       PHE  45   7.826   3.589  -2.443
  340    HB2  PHE  45          2HB       PHE  45   5.517   3.348  -3.316
  341    HB3  PHE  45          1HB       PHE  45   4.928   2.997  -1.697
  342    HD1  PHE  45           HD1      PHE  45   6.180   5.631  -3.958
  343    HD2  PHE  45           HD2      PHE  45   4.609   4.817  -0.055
  344    HE1  PHE  45           HE1      PHE  45   5.798   8.022  -3.589
  345    HE2  PHE  45           HE2      PHE  45   4.242   7.219   0.285
  346    HZ   PHE  45           HZ       PHE  45   4.845   8.817  -1.477
  347    H    LEU  46           H        LEU  46   5.944   1.897   0.123
  348    HA   LEU  46           HA       LEU  46   6.560   3.770   2.186
  349    HB2  LEU  46          2HB       LEU  46   5.553   0.917   2.446
  350    HB3  LEU  46          1HB       LEU  46   5.595   2.091   3.754
  351    HG   LEU  46           HG       LEU  46   3.870   2.252   1.250
  352   HD11  LEU  46          1HD1      LEU  46   3.088   1.802   4.144
  353   HD12  LEU  46          2HD1      LEU  46   3.081   0.593   2.856
  354   HD13  LEU  46          3HD1      LEU  46   1.985   1.967   2.774
  355   HD21  LEU  46          1HD2      LEU  46   4.055   4.232   3.556
  356   HD22  LEU  46          2HD2      LEU  46   2.850   4.268   2.265
  357   HD23  LEU  46          3HD2      LEU  46   4.551   4.514   1.884
  358    H    ARG  47           H        ARG  47   8.100   0.696   1.275
  359    HA   ARG  47           HA       ARG  47   9.738   0.515   3.621
  360    HB2  ARG  47          2HB       ARG  47  10.911  -1.305   2.505
  361    HB3  ARG  47          1HB       ARG  47   9.186  -1.487   2.215
  362    HG2  ARG  47          2HG       ARG  47   9.504  -0.480  -0.042
  363    HG3  ARG  47          1HG       ARG  47  11.237  -0.423   0.245
  364    HD2  ARG  47          2HD       ARG  47   9.692  -3.024   0.384
  365    HD3  ARG  47          1HD       ARG  47  10.272  -2.385  -1.152
  366    HE   ARG  47           HE       ARG  47  11.868  -3.510   1.006
  367   HH11  ARG  47          1HH1      ARG  47  11.898  -1.707  -2.031
  368   HH12  ARG  47          2HH1      ARG  47  13.558  -2.071  -2.359
  369   HH21  ARG  47          1HH2      ARG  47  14.042  -4.029   0.499
  370   HH22  ARG  47          2HH2      ARG  47  14.764  -3.375  -0.936
  371    H    GLN  48           H        GLN  48  10.037   2.013   0.488
  372    HA   GLN  48           HA       GLN  48  12.777   2.795   0.591
  373    HB2  GLN  48          2HB       GLN  48  11.362   2.645  -1.460
  374    HB3  GLN  48          1HB       GLN  48  10.396   3.994  -0.884
  375    HG2  GLN  48          2HG       GLN  48  12.370   5.473  -1.090
  376    HG3  GLN  48          1HG       GLN  48  13.318   4.108  -1.683
  377   HE21  GLN  48          1HE2      GLN  48  11.007   3.015  -3.250
  378   HE22  GLN  48          2HE2      GLN  48  10.866   4.058  -4.616
  379    H    GLU  49           H        GLU  49   9.699   4.399   1.357
  380    HA   GLU  49           HA       GLU  49  10.769   6.903   2.184
  381    HB2  GLU  49          2HB       GLU  49   8.046   5.605   2.595
  382    HB3  GLU  49          1HB       GLU  49   8.419   7.232   3.133
  383    HG2  GLU  49          2HG       GLU  49   8.318   6.213   0.283
  384    HG3  GLU  49          1HG       GLU  49   7.250   7.395   1.037
  385    H    SER  50           H        SER  50  10.200   3.905   3.808
  386    HA   SER  50           HA       SER  50  10.882   5.048   6.460
  387    HB2  SER  50          2HB       SER  50   9.849   2.276   5.780
  388    HB3  SER  50          1HB       SER  50  10.055   2.946   7.397
  389    HG   SER  50           HG       SER  50   8.093   3.416   5.500
  390    H    LYS  51           H        LYS  51  12.541   3.694   3.921
  391    HA   LYS  51           HA       LYS  51  14.689   3.051   3.648
  392    HB2  LYS  51          2HB       LYS  51  14.968   4.252   6.431
  393    HB3  LYS  51          1HB       LYS  51  16.325   3.823   5.400
  394    HG2  LYS  51          2HG       LYS  51  16.099   6.129   5.080
  395    HG3  LYS  51          1HG       LYS  51  15.307   5.446   3.676
  396    HD2  LYS  51          2HD       LYS  51  14.043   7.348   4.506
  397    HD3  LYS  51          1HD       LYS  51  13.115   5.866   4.721
  398    HE2  LYS  51          2HE       LYS  51  13.756   5.826   7.119
  399    HE3  LYS  51          1HE       LYS  51  14.670   7.319   6.895
  400    HZ1  LYS  51          1HZ       LYS  51  12.653   8.454   6.333
  401    HZ2  LYS  51          2HZ       LYS  51  12.474   7.697   7.826
  402    HZ3  LYS  51          3HZ       LYS  51  11.752   7.033   6.451
  403    H    VAL  52           H        VAL  52  12.958   1.080   4.483
  404    HA   VAL  52           HA       VAL  52  14.624  -0.845   5.980
  405    HB   VAL  52           HB       VAL  52  12.694  -0.010   7.346
  406   HG11  VAL  52          1HG1      VAL  52  10.886  -1.191   5.196
  407   HG12  VAL  52          2HG1      VAL  52  11.091   0.526   5.549
  408   HG13  VAL  52          3HG1      VAL  52  10.350  -0.537   6.748
  409   HG21  VAL  52          1HG2      VAL  52  12.400  -2.926   6.551
  410   HG22  VAL  52          2HG2      VAL  52  11.760  -2.194   8.024
  411   HG23  VAL  52          3HG2      VAL  52  13.505  -2.283   7.770
  412    H    SER  53           H        SER  53  14.468  -3.015   5.173
  413    HA   SER  53           HA       SER  53  13.026  -3.388   2.612
  414    HB2  SER  53          2HB       SER  53  15.470  -3.927   2.551
  415    HB3  SER  53          1HB       SER  53  15.214  -5.167   3.785
  416    HG   SER  53           HG       SER  53  14.442  -6.446   2.292
  417    H    ILE  54           H        ILE  54  11.725  -5.209   2.363
  418    HA   ILE  54           HA       ILE  54  10.688  -6.481   4.812
  419    HB   ILE  54           HB       ILE  54   9.261  -4.543   4.331
  420   HG12  ILE  54          2HG1      ILE  54   7.872  -7.147   3.556
  421   HG13  ILE  54          1HG1      ILE  54   8.107  -6.547   5.191
  422   HG21  ILE  54          1HG2      ILE  54   9.803  -4.285   1.932
  423   HG22  ILE  54          2HG2      ILE  54   8.069  -4.225   2.232
  424   HG23  ILE  54          3HG2      ILE  54   8.791  -5.687   1.560
  425   HD11  ILE  54          1HD1      ILE  54   6.355  -5.337   3.060
  426   HD12  ILE  54          2HD1      ILE  54   6.624  -4.637   4.658
  427   HD13  ILE  54          3HD1      ILE  54   5.841  -6.209   4.500
  428    H    GLY  55           H        GLY  55   9.820  -8.566   4.482
  429    HA2  GLY  55          2HA       GLY  55  10.618  -9.943   2.012
  430    HA3  GLY  55          1HA       GLY  55  10.161 -10.697   3.532
  431    H    MET  56           H        MET  56   9.161 -11.385   0.885
  432    HA   MET  56           HA       MET  56   6.692 -10.259   0.172
  433    HB2  MET  56          2HB       MET  56   7.867 -13.012  -0.328
  434    HB3  MET  56          1HB       MET  56   6.322 -12.522  -1.015
  435    HG2  MET  56          2HG       MET  56   8.939 -11.077  -1.510
  436    HG3  MET  56          1HG       MET  56   8.226 -12.286  -2.586
  437    HE1  MET  56          1HE       MET  56   7.542  -9.004  -4.598
  438    HE2  MET  56          2HE       MET  56   8.197 -10.640  -4.658
  439    HE3  MET  56          3HE       MET  56   8.986  -9.407  -3.671
  440    H    GLN  57           H        GLN  57   7.400 -12.582   2.707
  441    HA   GLN  57           HA       GLN  57   4.782 -13.615   3.106
  442    HB2  GLN  57          2HB       GLN  57   5.574 -14.359   5.320
  443    HB3  GLN  57          1HB       GLN  57   6.744 -14.743   4.063
  444    HG2  GLN  57          2HG       GLN  57   8.214 -12.966   4.768
  445    HG3  GLN  57          1HG       GLN  57   7.004 -12.326   5.879
  446   HE21  GLN  57          1HE2      GLN  57   6.578 -13.465   7.813
  447   HE22  GLN  57          2HE2      GLN  57   7.683 -14.634   8.445
  448    H    GLU  58           H        GLU  58   6.398 -10.682   4.184
  449    HA   GLU  58           HA       GLU  58   4.264  -9.897   6.026
  450    HB2  GLU  58          2HB       GLU  58   6.692  -8.288   5.153
  451    HB3  GLU  58          1HB       GLU  58   5.700  -8.019   6.583
  452    HG2  GLU  58          2HG       GLU  58   6.565 -10.037   7.617
  453    HG3  GLU  58          1HG       GLU  58   7.427 -10.469   6.140
  454    H    ILE  59           H        ILE  59   5.355  -9.319   2.747
  455    HA   ILE  59           HA       ILE  59   3.765  -6.947   2.305
  456    HB   ILE  59           HB       ILE  59   4.832  -8.766   0.100
  457   HG12  ILE  59          2HG1      ILE  59   6.321  -6.474   1.452
  458   HG13  ILE  59          1HG1      ILE  59   6.736  -8.176   1.585
  459   HG21  ILE  59          1HG2      ILE  59   3.182  -6.960  -0.483
  460   HG22  ILE  59          2HG2      ILE  59   4.738  -6.784  -1.286
  461   HG23  ILE  59          3HG2      ILE  59   4.339  -5.765   0.104
  462   HD11  ILE  59          1HD1      ILE  59   7.246  -8.237  -0.804
  463   HD12  ILE  59          2HD1      ILE  59   8.202  -7.022   0.044
  464   HD13  ILE  59          3HD1      ILE  59   6.817  -6.527  -0.935
  465    H    HIS  60           H        HIS  60   1.627  -7.276   2.634
  466    HA   HIS  60           HA       HIS  60   0.166  -9.331   1.101
  467    HB2  HIS  60          2HB       HIS  60   0.237  -9.027   4.084
  468    HB3  HIS  60          1HB       HIS  60  -1.367  -9.211   3.393
  469    HD1  HIS  60           HD1      HIS  60   1.934 -11.102   3.594
  470    HD2  HIS  60           HD2      HIS  60  -2.110 -11.744   2.849
  471    HE1  HIS  60           HE1      HIS  60   1.651 -13.597   3.523
  472    HE2  HIS  60           HE2      HIS  60  -0.769 -13.957   2.905
  473    HA   PRO  61           HA       PRO  61  -2.509  -5.754   0.255
  474    HB2  PRO  61          2HB       PRO  61  -4.760  -7.258  -0.519
  475    HB3  PRO  61          1HB       PRO  61  -3.444  -6.776  -1.605
  476    HG2  PRO  61          2HG       PRO  61  -3.903  -9.399  -0.254
  477    HG3  PRO  61          1HG       PRO  61  -3.273  -9.057  -1.880
  478    HD2  PRO  61          2HD       PRO  61  -1.648  -9.774   0.175
  479    HD3  PRO  61          1HD       PRO  61  -1.118  -8.658  -1.107
  480    H    ALA  62           H        ALA  62  -3.320  -8.548   2.273
  481    HA   ALA  62           HA       ALA  62  -5.448  -7.654   3.795
  482    HB1  ALA  62          1HB       ALA  62  -4.522  -9.917   4.021
  483    HB2  ALA  62          2HB       ALA  62  -4.606  -9.137   5.602
  484    HB3  ALA  62          3HB       ALA  62  -3.059  -9.267   4.759
  485    H    ASN  63           H        ASN  63  -1.999  -6.942   4.161
  486    HA   ASN  63           HA       ASN  63  -2.319  -5.291   6.521
  487    HB2  ASN  63          2HB       ASN  63   0.096  -5.746   4.715
  488    HB3  ASN  63          1HB       ASN  63   0.133  -4.895   6.259
  489   HD21  ASN  63          1HD2      ASN  63   1.581  -7.277   5.428
  490   HD22  ASN  63          2HD2      ASN  63   1.177  -8.513   6.564
  491    H    PHE  64           H        PHE  64  -2.289  -4.809   3.074
  492    HA   PHE  64           HA       PHE  64  -2.117  -1.871   3.327
  493    HB2  PHE  64          2HB       PHE  64  -1.921  -3.764   0.944
  494    HB3  PHE  64          1HB       PHE  64  -2.067  -2.019   0.748
  495    HD1  PHE  64           HD1      PHE  64   0.090  -4.668   2.228
  496    HD2  PHE  64           HD2      PHE  64  -0.148  -0.610   0.945
  497    HE1  PHE  64           HE1      PHE  64   2.505  -4.451   2.500
  498    HE2  PHE  64           HE2      PHE  64   2.279  -0.397   1.232
  499    HZ   PHE  64           HZ       PHE  64   3.606  -2.316   2.006
  500    H    ALA  65           H        ALA  65  -4.449  -3.670   4.086
  501    HA   ALA  65           HA       ALA  65  -6.644  -3.336   2.370
  502    HB1  ALA  65          1HB       ALA  65  -8.023  -3.849   4.345
  503    HB2  ALA  65          2HB       ALA  65  -6.641  -3.552   5.406
  504    HB3  ALA  65          3HB       ALA  65  -6.608  -4.903   4.272
  505    H    THR  66           H        THR  66  -5.205  -1.174   4.761
  506    HA   THR  66           HA       THR  66  -6.614   1.155   3.702
  507    HB   THR  66           HB       THR  66  -6.997   2.044   6.096
  508    HG1  THR  66           HG1      THR  66  -7.335  -0.437   7.184
  509   HG21  THR  66          1HG2      THR  66  -8.734  -0.308   5.264
  510   HG22  THR  66          2HG2      THR  66  -8.937   1.369   4.748
  511   HG23  THR  66          3HG2      THR  66  -9.174   0.929   6.441
  512    H    VAL  67           H        VAL  67  -5.581   3.225   4.698
  513    HA   VAL  67           HA       VAL  67  -2.751   3.131   4.529
  514    HB   VAL  67           HB       VAL  67  -4.061   5.184   4.012
  515   HG11  VAL  67          1HG1      VAL  67  -4.353   5.564   7.013
  516   HG12  VAL  67          2HG1      VAL  67  -5.656   5.256   5.864
  517   HG13  VAL  67          3HG1      VAL  67  -4.750   6.768   5.784
  518   HG21  VAL  67          1HG2      VAL  67  -1.842   5.623   6.038
  519   HG22  VAL  67          2HG2      VAL  67  -2.408   6.810   4.858
  520   HG23  VAL  67          3HG2      VAL  67  -1.632   5.323   4.310
  521    H    GLN  68           H        GLN  68  -4.922   3.279   7.316
  522    HA   GLN  68           HA       GLN  68  -2.967   3.697   9.320
  523    HB2  GLN  68          2HB       GLN  68  -4.805   2.947  10.891
  524    HB3  GLN  68          1HB       GLN  68  -5.270   4.246   9.796
  525    HG2  GLN  68          2HG       GLN  68  -6.396   2.581   8.335
  526    HG3  GLN  68          1HG       GLN  68  -5.978   1.312   9.486
  527   HE21  GLN  68          1HE2      GLN  68  -8.165   0.816   9.790
  528   HE22  GLN  68          2HE2      GLN  68  -9.224   1.837  10.694
  529    H    SER  69           H        SER  69  -4.228   0.808   7.762
  530    HA   SER  69           HA       SER  69  -3.019  -1.082   9.554
  531    HB2  SER  69          2HB       SER  69  -5.037  -1.618   8.162
  532    HB3  SER  69          1HB       SER  69  -4.041  -1.512   6.712
  533    HG   SER  69           HG       SER  69  -2.747  -3.226   7.683
  534    H    MET  70           H        MET  70  -2.131   0.400   6.413
  535    HA   MET  70           HA       MET  70   0.094  -1.389   5.966
  536    HB2  MET  70          2HB       MET  70   0.440  -0.270   3.872
  537    HB3  MET  70          1HB       MET  70  -1.299  -0.416   4.095
  538    HG2  MET  70          2HG       MET  70  -1.431   1.937   4.723
  539    HG3  MET  70          1HG       MET  70   0.316   2.096   4.581
  540    HE1  MET  70          1HE       MET  70  -2.530   1.417   0.989
  541    HE2  MET  70          2HE       MET  70  -3.073   1.581   2.660
  542    HE3  MET  70          3HE       MET  70  -2.199   0.134   2.153
  543    H    VAL  71           H        VAL  71  -0.272   1.924   7.159
  544    HA   VAL  71           HA       VAL  71   2.500   2.591   7.091
  545    HB   VAL  71           HB       VAL  71   0.640   4.303   7.155
  546   HG11  VAL  71          1HG1      VAL  71  -0.313   5.047   9.294
  547   HG12  VAL  71          2HG1      VAL  71   0.503   3.722  10.125
  548   HG13  VAL  71          3HG1      VAL  71  -0.760   3.373   8.948
  549   HG21  VAL  71          1HG2      VAL  71   2.989   4.954   7.489
  550   HG22  VAL  71          2HG2      VAL  71   2.840   4.656   9.223
  551   HG23  VAL  71          3HG2      VAL  71   1.923   5.964   8.470
  552    H    ALA  72           H        ALA  72   0.304   1.279   9.510
  553    HA   ALA  72           HA       ALA  72   2.169   1.321  11.694
  554    HB1  ALA  72          1HB       ALA  72  -0.487  -0.121  11.429
  555    HB2  ALA  72          2HB       ALA  72  -0.251   1.510  12.063
  556    HB3  ALA  72          3HB       ALA  72   0.418   0.120  12.924
  557    H    LEU  73           H        LEU  73   1.201  -0.996   9.222
  558    HA   LEU  73           HA       LEU  73   2.317  -3.391  10.110
  559    HB2  LEU  73          2HB       LEU  73   1.202  -3.772   8.117
  560    HB3  LEU  73          1HB       LEU  73   1.517  -2.156   7.530
  561    HG   LEU  73           HG       LEU  73   3.917  -3.034   7.016
  562   HD11  LEU  73          1HD1      LEU  73   4.100  -5.414   6.468
  563   HD12  LEU  73          2HD1      LEU  73   2.506  -5.704   7.172
  564   HD13  LEU  73          3HD1      LEU  73   3.836  -5.141   8.189
  565   HD21  LEU  73          1HD2      LEU  73   1.573  -3.921   5.327
  566   HD22  LEU  73          2HD2      LEU  73   3.243  -3.750   4.781
  567   HD23  LEU  73          3HD2      LEU  73   2.344  -2.333   5.318
  568    H    VAL  74           H        VAL  74   3.732  -0.712   8.264
  569    HA   VAL  74           HA       VAL  74   6.345  -1.752   8.052
  570    HB   VAL  74           HB       VAL  74   5.475   1.174   7.939
  571   HG11  VAL  74          1HG1      VAL  74   8.041  -0.139   6.942
  572   HG12  VAL  74          2HG1      VAL  74   7.904   0.982   8.298
  573   HG13  VAL  74          3HG1      VAL  74   7.578   1.542   6.658
  574   HG21  VAL  74          1HG2      VAL  74   5.430   0.885   5.473
  575   HG22  VAL  74          2HG2      VAL  74   4.288  -0.207   6.258
  576   HG23  VAL  74          3HG2      VAL  74   5.827  -0.826   5.659
  577    H    GLN  75           H        GLN  75   4.836   0.477  10.409
  578    HA   GLN  75           HA       GLN  75   7.166   1.126  11.884
  579    HB2  GLN  75          2HB       GLN  75   4.272   1.068  12.856
  580    HB3  GLN  75          1HB       GLN  75   5.604   1.894  13.664
  581    HG2  GLN  75          2HG       GLN  75   5.862   3.350  11.648
  582    HG3  GLN  75          1HG       GLN  75   4.456   2.556  10.941
  583   HE21  GLN  75          1HE2      GLN  75   3.337   4.530  10.815
  584   HE22  GLN  75          2HE2      GLN  75   2.694   5.317  12.210
  585    H    ARG  76           H        ARG  76   5.021  -1.678  12.071
  586    HA   ARG  76           HA       ARG  76   5.928  -2.681  14.606
  587    HB2  ARG  76          2HB       ARG  76   4.526  -4.085  12.288
  588    HB3  ARG  76          1HB       ARG  76   4.866  -4.854  13.835
  589    HG2  ARG  76          2HG       ARG  76   3.420  -3.203  14.971
  590    HG3  ARG  76          1HG       ARG  76   3.072  -2.443  13.418
  591    HD2  ARG  76          2HD       ARG  76   1.221  -3.888  14.007
  592    HD3  ARG  76          1HD       ARG  76   2.076  -4.612  12.639
  593    HE   ARG  76           HE       ARG  76   2.626  -5.499  15.410
  594   HH11  ARG  76          1HH1      ARG  76   1.558  -6.335  12.174
  595   HH12  ARG  76          2HH1      ARG  76   1.544  -8.038  12.497
  596   HH21  ARG  76          1HH2      ARG  76   2.570  -7.727  15.822
  597   HH22  ARG  76          2HH2      ARG  76   2.114  -8.827  14.560
  598    H    LEU  77           H        LEU  77   6.635  -3.575  11.195
  599    HA   LEU  77           HA       LEU  77   8.596  -5.531  11.886
  600    HB2  LEU  77          2HB       LEU  77   9.090  -5.651   9.448
  601    HB3  LEU  77          1HB       LEU  77   7.398  -5.843   9.848
  602    HG   LEU  77           HG       LEU  77   7.108  -3.373   9.169
  603   HD11  LEU  77          1HD1      LEU  77   9.371  -2.569   9.118
  604   HD12  LEU  77          2HD1      LEU  77   8.702  -2.484   7.488
  605   HD13  LEU  77          3HD1      LEU  77   9.833  -3.775   7.905
  606   HD21  LEU  77          1HD2      LEU  77   7.793  -5.425   7.056
  607   HD22  LEU  77          2HD2      LEU  77   6.865  -3.945   6.795
  608   HD23  LEU  77          3HD2      LEU  77   6.234  -5.199   7.857
  609    H    LYS  78           H        LYS  78   8.783  -2.101  11.480
  610    HA   LYS  78           HA       LYS  78  11.487  -1.664  10.889
  611    HB2  LYS  78          2HB       LYS  78   9.484  -0.109  12.549
  612    HB3  LYS  78          1HB       LYS  78  11.129   0.468  12.377
  613    HG2  LYS  78          2HG       LYS  78   9.176   0.040  10.101
  614    HG3  LYS  78          1HG       LYS  78   9.534   1.590  10.850
  615    HD2  LYS  78          2HD       LYS  78  11.624  -0.113   9.448
  616    HD3  LYS  78          1HD       LYS  78  10.673   1.118   8.623
  617    HE2  LYS  78          2HE       LYS  78  12.744   2.153   9.142
  618    HE3  LYS  78          1HE       LYS  78  11.606   2.787  10.328
  619    HZ1  LYS  78          1HZ       LYS  78  12.503   1.296  11.965
  620    HZ2  LYS  78          2HZ       LYS  78  13.758   2.185  11.273
  621    HZ3  LYS  78          3HZ       LYS  78  13.524   0.575  10.824
  622    H    ALA  79           H        ALA  79   9.951  -2.703  13.853
  623    HA   ALA  79           HA       ALA  79  12.314  -2.333  15.529
  624    HB1  ALA  79          1HB       ALA  79  10.824  -3.065  17.360
  625    HB2  ALA  79          2HB       ALA  79   9.554  -3.422  16.186
  626    HB3  ALA  79          3HB       ALA  79  10.093  -1.759  16.420
  627    H    HIS  80           H        HIS  80  11.268  -4.696  13.392
  628    HA   HIS  80           HA       HIS  80  12.171  -7.030  14.932
  629    HB2  HIS  80          2HB       HIS  80  10.045  -6.912  13.357
  630    HB3  HIS  80          1HB       HIS  80  11.197  -7.088  12.038
  631    HD1  HIS  80           HD1      HIS  80   9.936  -8.924  15.111
  632    HD2  HIS  80           HD2      HIS  80  11.985  -9.742  11.580
  633    HE1  HIS  80           HE1      HIS  80  10.170 -11.420  15.020
  634    HE2  HIS  80           HE2      HIS  80  11.362 -11.889  12.858
  635    HA   PRO  81           HA       PRO  81  16.314  -6.397  13.973
  636    HB2  PRO  81          2HB       PRO  81  17.428  -8.932  13.928
  637    HB3  PRO  81          1HB       PRO  81  16.785  -8.179  15.404
  638    HG2  PRO  81          2HG       PRO  81  15.437 -10.139  13.561
  639    HG3  PRO  81          1HG       PRO  81  15.533 -10.153  15.339
  640    HD2  PRO  81          2HD       PRO  81  13.340  -9.245  14.066
  641    HD3  PRO  81          1HD       PRO  81  13.901  -8.481  15.570
  642    H    GLU  82           H        GLU  82  14.982  -8.785  11.672
  643    HA   GLU  82           HA       GLU  82  17.304  -8.578   9.910
  644    HB2  GLU  82          2HB       GLU  82  16.146 -10.369   8.595
  645    HB3  GLU  82          1HB       GLU  82  16.458 -10.799  10.272
  646    HG2  GLU  82          2HG       GLU  82  14.132 -10.438  10.858
  647    HG3  GLU  82          1HG       GLU  82  13.782  -9.824   9.245
  648    H    GLN  83           H        GLN  83  14.459  -6.852  10.276
  649    HA   GLN  83           HA       GLN  83  14.004  -6.225   7.463
  650    HB2  GLN  83          2HB       GLN  83  12.667  -5.330  10.046
  651    HB3  GLN  83          1HB       GLN  83  12.303  -4.566   8.502
  652    HG2  GLN  83          2HG       GLN  83  10.628  -6.240   9.102
  653    HG3  GLN  83          1HG       GLN  83  11.463  -6.681   7.615
  654   HE21  GLN  83          1HE2      GLN  83  10.972  -8.860   7.773
  655   HE22  GLN  83          2HE2      GLN  83  11.633  -9.886   8.996
  656    H    GLY  84           H        GLY  84  15.295  -4.876   6.510
  657    HA2  GLY  84          2HA       GLY  84  15.861  -2.232   7.070
  658    HA3  GLY  84          1HA       GLY  84  17.185  -3.145   7.804
  659    H    GLY  85           H        GLY  85  17.725  -5.118   6.243
  660    HA2  GLY  85          2HA       GLY  85  17.539  -4.706   3.413
  661    HA3  GLY  85          1HA       GLY  85  19.159  -4.387   4.039
  662    H    ALA  86           H        ALA  86  19.726  -6.240   2.643
  663    HA   ALA  86           HA       ALA  86  20.655  -8.279   2.473
  664    HB1  ALA  86          1HB       ALA  86  19.595  -8.930   5.241
  665    HB2  ALA  86          2HB       ALA  86  21.158  -8.182   4.901
  666    HB3  ALA  86          3HB       ALA  86  20.827  -9.828   4.353
  667    H    ALA  87           H        ALA  87  17.487  -8.806   4.127
  668    HA   ALA  87           HA       ALA  87  16.821 -11.168   2.654
  669    HB1  ALA  87          1HB       ALA  87  14.689 -11.061   3.860
  670    HB2  ALA  87          2HB       ALA  87  15.041  -9.412   4.383
  671    HB3  ALA  87          3HB       ALA  87  16.031 -10.750   4.965
  672    H    LEU  88           H        LEU  88  17.130 -10.282   0.490
  673    HA   LEU  88           HA       LEU  88  14.514  -9.566  -0.644
  674    HB2  LEU  88          2HB       LEU  88  17.179  -8.421  -1.621
  675    HB3  LEU  88          1HB       LEU  88  15.683  -8.344  -2.525
  676    HG   LEU  88           HG       LEU  88  14.799  -7.054  -0.361
  677   HD11  LEU  88          1HD1      LEU  88  16.770  -7.350   1.026
  678   HD12  LEU  88          2HD1      LEU  88  16.498  -5.643   0.698
  679   HD13  LEU  88          3HD1      LEU  88  17.772  -6.511  -0.161
  680   HD21  LEU  88          1HD2      LEU  88  15.353  -4.916  -1.412
  681   HD22  LEU  88          2HD2      LEU  88  14.855  -6.102  -2.616
  682   HD23  LEU  88          3HD2      LEU  88  16.565  -5.703  -2.427
  683    H    GLU  89           H        GLU  89  14.361 -11.892  -0.812
  684    HA   GLU  89           HA       GLU  89  16.250 -13.267  -2.599
  685    HB2  GLU  89          2HB       GLU  89  15.578 -14.318  -0.406
  686    HB3  GLU  89          1HB       GLU  89  13.920 -14.404  -0.994
  687    HG2  GLU  89          2HG       GLU  89  14.672 -15.881  -2.846
  688    HG3  GLU  89          1HG       GLU  89  16.312 -15.829  -2.201
  689   H282  PNS 101          3H28      PNS 136   0.295 -10.048  -3.280
  690   H281  PNS 101          2H28      PNS 136   0.724  -8.745  -4.371
  691   H303  PNS 101          3H51      PNS 136   1.697  -7.594  -2.522
  692   H302  PNS 101          2H51      PNS 136   1.245  -8.929  -1.469
  693   H301  PNS 101          1H51      PNS 136   2.909  -8.354  -1.502
  694   H313  PNS 101          3H52      PNS 136   4.345  -8.728  -3.623
  695   H312  PNS 101          2H52      PNS 136   3.059  -7.914  -4.509
  696   H311  PNS 101          1H52      PNS 136   3.594  -9.528  -5.010
  697    H32  PNS 101           H32      PNS 136   3.787 -10.537  -1.976
  698    H33  PNS 101           H33      PNS 136   1.269 -11.782  -2.229
  699    H36  PNS 101           H36      PNS 136   5.115 -11.087  -3.721
  700   H372  PNS 101          3H37      PNS 136   6.220 -12.426  -5.104
  701   H371  PNS 101          2H37      PNS 136   5.309 -13.754  -4.395
  702   H382  PNS 101          3H38      PNS 136   5.033 -13.841  -6.785
  703   H381  PNS 101          2H38      PNS 136   3.509 -13.354  -6.060
  704    H41  PNS 101           H41      PNS 136   2.605 -11.365  -6.583
  705   H422  PNS 101          3H42      PNS 136   2.095  -9.505  -7.781
  706   H421  PNS 101          2H42      PNS 136   3.033 -10.222  -9.085
  707   H431  PNS 101          2H43      PNS 136   4.133  -8.453  -6.876
  708   H432  PNS 101          3H43      PNS 136   5.083  -9.189  -8.177
  709    H44  PNS 101           H44      PNS 136   2.538  -6.940  -8.617
  Start of MODEL   10
    1    H1   MET   1          1H        MET   1   0.315  13.189   2.958
    2    H2   MET   1          2H        MET   1   0.204  14.857   2.730
    3    H3   MET   1          3H        MET   1   1.711  14.097   2.664
    4    HA   MET   1           HA       MET   1  -0.546  13.673   0.793
    5    HB2  MET   1          2HB       MET   1   0.717  14.877  -0.893
    6    HB3  MET   1          1HB       MET   1   0.594  15.897   0.534
    7    HG2  MET   1          2HG       MET   1   2.893  15.349   1.156
    8    HG3  MET   1          1HG       MET   1   3.028  14.261  -0.229
    9    HE1  MET   1          1HE       MET   1   5.323  17.244  -1.362
   10    HE2  MET   1          2HE       MET   1   5.214  15.494  -1.170
   11    HE3  MET   1          3HE       MET   1   5.189  16.546   0.252
   12    H    LEU   2           H        LEU   2   2.034  12.210   2.306
   13    HA   LEU   2           HA       LEU   2   3.390  10.714   0.365
   14    HB2  LEU   2          2HB       LEU   2   3.959  10.923   2.823
   15    HB3  LEU   2          1HB       LEU   2   2.618   9.852   3.188
   16    HG   LEU   2           HG       LEU   2   3.772   8.057   1.802
   17   HD11  LEU   2          1HD1      LEU   2   6.140   8.328   1.264
   18   HD12  LEU   2          2HD1      LEU   2   6.100   9.997   1.827
   19   HD13  LEU   2          3HD1      LEU   2   5.155   9.516   0.415
   20   HD21  LEU   2          1HD2      LEU   2   3.904   8.027   4.263
   21   HD22  LEU   2          2HD2      LEU   2   5.340   9.053   4.212
   22   HD23  LEU   2          3HD2      LEU   2   5.392   7.427   3.530
   23    H    GLU   3           H        GLU   3   0.283  10.365   1.759
   24    HA   GLU   3           HA       GLU   3  -0.305   7.657   1.055
   25    HB2  GLU   3          2HB       GLU   3  -2.277   9.873   1.778
   26    HB3  GLU   3          1HB       GLU   3  -2.525   8.139   1.911
   27    HG2  GLU   3          2HG       GLU   3  -2.177   8.815   4.134
   28    HG3  GLU   3          1HG       GLU   3  -0.618   8.169   3.653
   29    H    SER   4           H        SER   4  -1.308  10.878  -0.179
   30    HA   SER   4           HA       SER   4  -2.821   9.915  -2.389
   31    HB2  SER   4          2HB       SER   4  -2.660  12.300  -3.198
   32    HB3  SER   4          1HB       SER   4  -3.202  12.167  -1.526
   33    HG   SER   4           HG       SER   4  -1.112  13.493  -2.490
   34    H    LYS   5           H        LYS   5   0.588  10.292  -1.886
   35    HA   LYS   5           HA       LYS   5   1.500  10.232  -4.597
   36    HB2  LYS   5          2HB       LYS   5   2.809   9.518  -1.944
   37    HB3  LYS   5          1HB       LYS   5   3.676   9.443  -3.471
   38    HG2  LYS   5          2HG       LYS   5   2.342  12.008  -2.580
   39    HG3  LYS   5          1HG       LYS   5   3.934  11.558  -1.970
   40    HD2  LYS   5          2HD       LYS   5   3.222  11.901  -4.919
   41    HD3  LYS   5          1HD       LYS   5   4.071  13.093  -3.928
   42    HE2  LYS   5          2HE       LYS   5   5.896  11.410  -3.552
   43    HE3  LYS   5          1HE       LYS   5   5.066  10.305  -4.648
   44    HZ1  LYS   5          1HZ       LYS   5   6.202  12.956  -5.316
   45    HZ2  LYS   5          2HZ       LYS   5   5.319  11.995  -6.390
   46    HZ3  LYS   5          3HZ       LYS   5   6.799  11.445  -5.783
   47    H    LEU   6           H        LEU   6   1.205   7.658  -2.053
   48    HA   LEU   6           HA       LEU   6   2.063   5.548  -3.778
   49    HB2  LEU   6          2HB       LEU   6   1.367   3.971  -2.002
   50    HB3  LEU   6          1HB       LEU   6   2.388   5.265  -1.422
   51    HG   LEU   6           HG       LEU   6   0.076   6.365  -0.707
   52   HD11  LEU   6          1HD1      LEU   6  -1.410   4.696  -1.676
   53   HD12  LEU   6          2HD1      LEU   6  -1.598   4.750   0.074
   54   HD13  LEU   6          3HD1      LEU   6  -0.693   3.431  -0.675
   55   HD21  LEU   6          1HD2      LEU   6   0.325   5.472   1.539
   56   HD22  LEU   6          2HD2      LEU   6   1.905   5.801   0.828
   57   HD23  LEU   6          3HD2      LEU   6   1.319   4.138   0.930
   58    H    ILE   7           H        ILE   7  -1.106   6.887  -2.979
   59    HA   ILE   7           HA       ILE   7  -2.752   5.058  -4.372
   60    HB   ILE   7           HB       ILE   7  -3.145   8.066  -4.021
   61   HG12  ILE   7          2HG1      ILE   7  -3.060   6.882  -1.849
   62   HG13  ILE   7          1HG1      ILE   7  -4.677   7.491  -2.162
   63   HG21  ILE   7          1HG2      ILE   7  -5.156   5.971  -4.946
   64   HG22  ILE   7          2HG2      ILE   7  -4.514   7.311  -5.896
   65   HG23  ILE   7          3HG2      ILE   7  -5.566   7.634  -4.519
   66   HD11  ILE   7          1HD1      ILE   7  -4.709   5.306  -1.144
   67   HD12  ILE   7          2HD1      ILE   7  -3.777   4.637  -2.489
   68   HD13  ILE   7          3HD1      ILE   7  -5.412   5.258  -2.760
   69    H    ASN   8           H        ASN   8  -1.488   8.217  -5.438
   70    HA   ASN   8           HA       ASN   8  -2.359   8.324  -8.059
   71    HB2  ASN   8          2HB       ASN   8  -1.247  10.191  -6.804
   72    HB3  ASN   8          1HB       ASN   8   0.308   9.404  -7.016
   73   HD21  ASN   8          1HD2      ASN   8   1.256   9.393  -9.130
   74   HD22  ASN   8          2HD2      ASN   8   0.703  10.458 -10.372
   75    H    HIS   9           H        HIS   9   0.464   6.740  -6.779
   76    HA   HIS   9           HA       HIS   9   1.988   6.197  -9.008
   77    HB2  HIS   9          2HB       HIS   9   2.648   5.855  -6.635
   78    HB3  HIS   9          1HB       HIS   9   1.591   4.456  -6.543
   79    HD1  HIS   9           HD1      HIS   9   4.933   5.570  -7.740
   80    HD2  HIS   9           HD2      HIS   9   2.576   2.160  -7.927
   81    HE1  HIS   9           HE1      HIS   9   6.458   3.737  -8.529
   82    HE2  HIS   9           HE2      HIS   9   4.984   1.718  -8.731
   83    H    ILE  10           H        ILE  10  -0.305   3.858  -7.490
   84    HA   ILE  10           HA       ILE  10  -0.310   2.224  -9.896
   85    HB   ILE  10           HB       ILE  10  -1.918   0.744  -8.551
   86   HG12  ILE  10          2HG1      ILE  10  -1.546   1.033  -5.964
   87   HG13  ILE  10          1HG1      ILE  10  -1.121   2.691  -6.344
   88   HG21  ILE  10          1HG2      ILE  10  -0.091  -0.331  -7.298
   89   HG22  ILE  10          2HG2      ILE  10   0.916   1.099  -7.537
   90   HG23  ILE  10          3HG2      ILE  10   0.399   0.138  -8.926
   91   HD11  ILE  10          1HD1      ILE  10  -3.754   1.362  -6.901
   92   HD12  ILE  10          2HD1      ILE  10  -3.333   3.036  -7.269
   93   HD13  ILE  10          3HD1      ILE  10  -3.392   2.490  -5.593
   94    H    ALA  11           H        ALA  11  -2.403   4.614  -8.473
   95    HA   ALA  11           HA       ALA  11  -4.885   4.134  -9.617
   96    HB1  ALA  11          1HB       ALA  11  -5.290   6.559  -9.425
   97    HB2  ALA  11          2HB       ALA  11  -3.559   6.843  -9.217
   98    HB3  ALA  11          3HB       ALA  11  -4.456   5.947  -7.991
   99    H    THR  12           H        THR  12  -1.915   5.139 -11.130
  100    HA   THR  12           HA       THR  12  -2.779   6.237 -13.556
  101    HB   THR  12           HB       THR  12  -0.298   4.543 -13.040
  102    HG1  THR  12           HG1      THR  12   0.059   6.211 -11.763
  103   HG21  THR  12          1HG2      THR  12  -0.713   4.812 -15.463
  104   HG22  THR  12          2HG2      THR  12   0.696   5.745 -14.951
  105   HG23  THR  12          3HG2      THR  12  -0.838   6.561 -15.247
  106    H    GLN  13           H        GLN  13  -2.022   2.858 -12.693
  107    HA   GLN  13           HA       GLN  13  -2.963   1.866 -15.319
  108    HB2  GLN  13          2HB       GLN  13  -1.948  -0.316 -14.582
  109    HB3  GLN  13          1HB       GLN  13  -0.797   0.996 -14.714
  110    HG2  GLN  13          2HG       GLN  13  -1.948   0.462 -11.993
  111    HG3  GLN  13          1HG       GLN  13  -0.824  -0.726 -12.639
  112   HE21  GLN  13          1HE2      GLN  13   0.709  -0.259 -11.023
  113   HE22  GLN  13          2HE2      GLN  13   1.624   1.208 -11.020
  114    H    PHE  14           H        PHE  14  -4.069   2.183 -12.119
  115    HA   PHE  14           HA       PHE  14  -5.875  -0.121 -12.231
  116    HB2  PHE  14          2HB       PHE  14  -4.668   1.511 -10.018
  117    HB3  PHE  14          1HB       PHE  14  -6.324   0.964  -9.730
  118    HD1  PHE  14           HD1      PHE  14  -5.621  -0.480  -7.867
  119    HD2  PHE  14           HD2      PHE  14  -3.982  -1.058 -11.786
  120    HE1  PHE  14           HE1      PHE  14  -4.829  -2.703  -7.245
  121    HE2  PHE  14           HE2      PHE  14  -3.210  -3.276 -11.132
  122    HZ   PHE  14           HZ       PHE  14  -3.634  -4.110  -8.863
  123    H    LEU  15           H        LEU  15  -5.962   3.386 -12.291
  124    HA   LEU  15           HA       LEU  15  -8.938   3.317 -12.443
  125    HB2  LEU  15          2HB       LEU  15  -7.301   5.510 -11.123
  126    HB3  LEU  15          1HB       LEU  15  -9.049   5.332 -11.115
  127    HG   LEU  15           HG       LEU  15  -7.049   3.572  -9.622
  128   HD11  LEU  15          1HD1      LEU  15  -9.030   5.626  -8.586
  129   HD12  LEU  15          2HD1      LEU  15  -7.272   5.786  -8.659
  130   HD13  LEU  15          3HD1      LEU  15  -7.996   4.576  -7.613
  131   HD21  LEU  15          1HD2      LEU  15  -9.017   2.502  -8.566
  132   HD22  LEU  15          2HD2      LEU  15  -8.973   2.209 -10.299
  133   HD23  LEU  15          3HD2      LEU  15 -10.101   3.397  -9.641
  134    H    ASP  16           H        ASP  16  -6.559   3.609 -14.459
  135    HA   ASP  16           HA       ASP  16  -6.284   4.564 -16.514
  136    HB2  ASP  16          2HB       ASP  16  -8.856   4.508 -16.555
  137    HB3  ASP  16          1HB       ASP  16  -8.843   6.149 -15.974
  138    H    GLY  17           H        GLY  17  -5.371   5.825 -13.910
  139    HA2  GLY  17          2HA       GLY  17  -3.906   7.563 -13.480
  140    HA3  GLY  17          1HA       GLY  17  -4.361   8.344 -14.981
  141    H    GLU  18           H        GLU  18  -7.061   7.444 -13.092
  142    HA   GLU  18           HA       GLU  18  -7.464  10.247 -12.240
  143    HB2  GLU  18          2HB       GLU  18  -9.737   9.962 -12.618
  144    HB3  GLU  18          1HB       GLU  18  -9.159   8.706 -13.716
  145    HG2  GLU  18          2HG       GLU  18  -9.526   7.040 -11.836
  146    HG3  GLU  18          1HG       GLU  18 -10.296   8.333 -10.923
  147    H    LYS  19           H        LYS  19  -7.777  10.759 -10.125
  148    HA   LYS  19           HA       LYS  19  -7.569   8.617  -8.095
  149    HB2  LYS  19          2HB       LYS  19  -6.938  11.575  -7.874
  150    HB3  LYS  19          1HB       LYS  19  -6.851  10.405  -6.546
  151    HG2  LYS  19          2HG       LYS  19  -5.227   9.063  -7.975
  152    HG3  LYS  19          1HG       LYS  19  -5.182  10.433  -9.080
  153    HD2  LYS  19          2HD       LYS  19  -4.498  10.653  -6.137
  154    HD3  LYS  19          1HD       LYS  19  -3.300  10.316  -7.388
  155    HE2  LYS  19          2HE       LYS  19  -5.011  12.819  -7.155
  156    HE3  LYS  19          1HE       LYS  19  -3.269  12.699  -6.890
  157    HZ1  LYS  19          1HZ       LYS  19  -3.039  12.058  -9.243
  158    HZ2  LYS  19          2HZ       LYS  19  -3.711  13.599  -9.058
  159    HZ3  LYS  19          3HZ       LYS  19  -4.698  12.292  -9.460
  160    H    ASP  20           H        ASP  20  -9.522   8.004  -7.556
  161    HA   ASP  20           HA       ASP  20 -11.518   9.757  -6.499
  162    HB2  ASP  20          2HB       ASP  20 -11.875  10.276  -8.873
  163    HB3  ASP  20          1HB       ASP  20 -11.981   8.563  -9.271
  164    H    GLY  21           H        GLY  21 -11.963   8.499  -4.785
  165    HA2  GLY  21          2HA       GLY  21 -13.297   6.859  -3.760
  166    HA3  GLY  21          1HA       GLY  21 -13.218   5.869  -5.208
  167    H    LEU  22           H        LEU  22 -10.216   6.436  -5.196
  168    HA   LEU  22           HA       LEU  22  -9.378   4.420  -3.198
  169    HB2  LEU  22          2HB       LEU  22  -8.948   3.900  -5.613
  170    HB3  LEU  22          1HB       LEU  22  -8.025   5.378  -5.751
  171    HG   LEU  22           HG       LEU  22  -6.261   4.501  -4.312
  172   HD11  LEU  22          1HD1      LEU  22  -7.964   2.018  -3.956
  173   HD12  LEU  22          2HD1      LEU  22  -7.575   3.207  -2.713
  174   HD13  LEU  22          3HD1      LEU  22  -6.299   2.212  -3.406
  175   HD21  LEU  22          1HD2      LEU  22  -6.092   3.953  -6.674
  176   HD22  LEU  22          2HD2      LEU  22  -7.079   2.505  -6.454
  177   HD23  LEU  22          3HD2      LEU  22  -5.483   2.608  -5.712
  178    H    ASP  23           H        ASP  23  -8.665   5.406  -1.443
  179    HA   ASP  23           HA       ASP  23  -6.733   7.607  -1.510
  180    HB2  ASP  23          2HB       ASP  23  -9.436   7.727  -0.105
  181    HB3  ASP  23          1HB       ASP  23  -8.092   8.754   0.369
  182    H    SER  24           H        SER  24  -6.375   8.201   1.004
  183    HA   SER  24           HA       SER  24  -5.015   6.004   2.149
  184    HB2  SER  24          2HB       SER  24  -4.549   7.633   3.999
  185    HB3  SER  24          1HB       SER  24  -4.228   8.287   2.395
  186    HG   SER  24           HG       SER  24  -6.042   9.089   4.272
  187    H    GLN  25           H        GLN  25  -8.000   7.679   2.997
  188    HA   GLN  25           HA       GLN  25  -8.506   6.111   5.378
  189    HB2  GLN  25          2HB       GLN  25 -10.259   8.152   3.985
  190    HB3  GLN  25          1HB       GLN  25 -10.547   7.462   5.577
  191    HG2  GLN  25          2HG       GLN  25  -8.365   9.376   4.734
  192    HG3  GLN  25          1HG       GLN  25  -9.617   9.611   5.941
  193   HE21  GLN  25          1HE2      GLN  25  -9.386   8.599   7.991
  194   HE22  GLN  25          2HE2      GLN  25  -7.843   8.060   8.557
  195    H    THR  26           H        THR  26  -9.007   5.615   2.104
  196    HA   THR  26           HA       THR  26 -11.550   4.405   2.027
  197    HB   THR  26           HB       THR  26  -9.193   4.153   0.134
  198    HG1  THR  26           HG1      THR  26 -11.026   5.504  -1.026
  199   HG21  THR  26          1HG2      THR  26 -10.597   2.195  -0.233
  200   HG22  THR  26          2HG2      THR  26 -10.908   3.348  -1.536
  201   HG23  THR  26          3HG2      THR  26 -12.058   3.183  -0.198
  202    HA   PRO  27           HA       PRO  27 -10.448   0.231   3.518
  203    HB2  PRO  27          2HB       PRO  27 -12.871  -0.925   3.153
  204    HB3  PRO  27          1HB       PRO  27 -12.596   0.243   4.467
  205    HG2  PRO  27          2HG       PRO  27 -13.915   0.684   1.804
  206    HG3  PRO  27          1HG       PRO  27 -14.400   1.278   3.401
  207    HD2  PRO  27          2HD       PRO  27 -13.013   2.799   1.577
  208    HD3  PRO  27          1HD       PRO  27 -12.944   3.066   3.329
  209    H    LEU  28           H        LEU  28  -9.046  -0.552   2.004
  210    HA   LEU  28           HA       LEU  28  -9.579  -0.628  -0.804
  211    HB2  LEU  28          2HB       LEU  28  -7.317  -2.007   0.700
  212    HB3  LEU  28          1HB       LEU  28  -7.343  -1.569  -1.001
  213    HG   LEU  28           HG       LEU  28  -7.097   0.303   1.387
  214   HD11  LEU  28          1HD1      LEU  28  -4.971   0.983   0.351
  215   HD12  LEU  28          2HD1      LEU  28  -5.207  -0.217  -0.923
  216   HD13  LEU  28          3HD1      LEU  28  -5.006  -0.733   0.752
  217   HD21  LEU  28          1HD2      LEU  28  -7.035   2.201  -0.222
  218   HD22  LEU  28          2HD2      LEU  28  -8.608   1.414  -0.142
  219   HD23  LEU  28          3HD2      LEU  28  -7.536   1.098  -1.508
  220    H    PHE  29           H        PHE  29  -9.997  -2.842   1.806
  221    HA   PHE  29           HA       PHE  29 -10.347  -5.227   0.233
  222    HB2  PHE  29          2HB       PHE  29 -10.253  -4.529   3.118
  223    HB3  PHE  29          1HB       PHE  29 -11.429  -5.787   2.761
  224    HD1  PHE  29           HD1      PHE  29  -8.277  -5.370   0.841
  225    HD2  PHE  29           HD2      PHE  29 -10.250  -7.535   3.966
  226    HE1  PHE  29           HE1      PHE  29  -6.508  -7.038   0.820
  227    HE2  PHE  29           HE2      PHE  29  -8.455  -9.211   3.921
  228    HZ   PHE  29           HZ       PHE  29  -6.586  -8.969   2.340
  229    H    GLU  30           H        GLU  30 -12.538  -3.191   2.184
  230    HA   GLU  30           HA       GLU  30 -14.863  -4.687   1.697
  231    HB2  GLU  30          2HB       GLU  30 -14.563  -1.755   2.452
  232    HB3  GLU  30          1HB       GLU  30 -16.086  -2.648   2.515
  233    HG2  GLU  30          2HG       GLU  30 -15.177  -4.165   4.197
  234    HG3  GLU  30          1HG       GLU  30 -13.600  -3.376   4.101
  235    H    LEU  31           H        LEU  31 -13.442  -2.009  -0.100
  236    HA   LEU  31           HA       LEU  31 -15.708  -1.904  -1.988
  237    HB2  LEU  31          2HB       LEU  31 -13.126  -0.304  -2.075
  238    HB3  LEU  31          1HB       LEU  31 -14.594   0.001  -2.992
  239    HG   LEU  31           HG       LEU  31 -14.090   0.485  -0.040
  240   HD11  LEU  31          1HD1      LEU  31 -14.711   2.789  -0.561
  241   HD12  LEU  31          2HD1      LEU  31 -14.974   2.358  -2.253
  242   HD13  LEU  31          3HD1      LEU  31 -13.356   2.248  -1.552
  243   HD21  LEU  31          1HD2      LEU  31 -16.286  -0.550  -0.112
  244   HD22  LEU  31          2HD2      LEU  31 -16.803   0.518  -1.422
  245   HD23  LEU  31          3HD2      LEU  31 -16.474   1.180   0.182
  246    H    ASN  32           H        ASN  32 -12.548  -3.272  -1.621
  247    HA   ASN  32           HA       ASN  32 -11.195  -4.584  -2.864
  248    HB2  ASN  32          2HB       ASN  32 -13.355  -5.919  -3.014
  249    HB3  ASN  32          1HB       ASN  32 -13.684  -5.142  -4.554
  250   HD21  ASN  32          1HD2      ASN  32 -12.542  -5.821  -6.388
  251   HD22  ASN  32          2HD2      ASN  32 -11.556  -7.239  -6.398
  252    H    ILE  33           H        ILE  33 -10.769  -2.013  -3.360
  253    HA   ILE  33           HA       ILE  33 -10.985  -1.343  -6.180
  254    HB   ILE  33           HB       ILE  33  -9.376   0.101  -4.017
  255   HG12  ILE  33          2HG1      ILE  33 -11.813   0.065  -3.448
  256   HG13  ILE  33          1HG1      ILE  33 -11.269   1.691  -3.844
  257   HG21  ILE  33          1HG2      ILE  33  -9.459   2.045  -5.593
  258   HG22  ILE  33          2HG2      ILE  33 -10.235   1.016  -6.797
  259   HG23  ILE  33          3HG2      ILE  33  -8.589   0.666  -6.268
  260   HD11  ILE  33          1HD1      ILE  33 -13.451   1.236  -4.788
  261   HD12  ILE  33          2HD1      ILE  33 -12.815  -0.150  -5.674
  262   HD13  ILE  33          3HD1      ILE  33 -12.267   1.482  -6.073
  263    H    VAL  34           H        VAL  34  -8.302  -1.969  -3.902
  264    HA   VAL  34           HA       VAL  34  -6.400  -2.119  -6.118
  265    HB   VAL  34           HB       VAL  34  -5.899  -0.887  -3.947
  266   HG11  VAL  34          1HG1      VAL  34  -5.433  -3.664  -2.792
  267   HG12  VAL  34          2HG1      VAL  34  -6.732  -2.562  -2.330
  268   HG13  VAL  34          3HG1      VAL  34  -5.052  -2.127  -2.003
  269   HG21  VAL  34          1HG2      VAL  34  -3.499  -1.516  -3.888
  270   HG22  VAL  34          2HG2      VAL  34  -4.109  -1.371  -5.539
  271   HG23  VAL  34          3HG2      VAL  34  -3.867  -2.968  -4.828
  272    H    ASP  35           H        ASP  35  -5.135  -3.927  -6.573
  273    HA   ASP  35           HA       ASP  35  -6.190  -6.562  -5.786
  274    HB2  ASP  35          2HB       ASP  35  -4.625  -5.615  -8.233
  275    HB3  ASP  35          1HB       ASP  35  -4.848  -7.325  -7.864
  276    H    SER  36           H        SER  36  -4.382  -8.279  -5.991
  277    HA   SER  36           HA       SER  36  -2.579  -7.859  -3.849
  278    HB2  SER  36          2HB       SER  36  -2.087 -10.135  -4.056
  279    HB3  SER  36          1HB       SER  36  -3.710 -10.055  -4.743
  280    H    ALA  37           H        ALA  37  -2.142  -7.954  -7.390
  281    HA   ALA  37           HA       ALA  37   0.649  -8.012  -7.557
  282    HB1  ALA  37          1HB       ALA  37  -1.279  -6.768  -9.550
  283    HB2  ALA  37          2HB       ALA  37  -0.834  -8.471  -9.477
  284    HB3  ALA  37          3HB       ALA  37   0.387  -7.267  -9.885
  285    H    ALA  38           H        ALA  38  -1.512  -5.269  -7.086
  286    HA   ALA  38           HA       ALA  38   0.453  -3.224  -7.554
  287    HB1  ALA  38          1HB       ALA  38  -1.220  -1.685  -6.566
  288    HB2  ALA  38          2HB       ALA  38  -2.208  -3.080  -6.123
  289    HB3  ALA  38          3HB       ALA  38  -1.910  -2.712  -7.821
  290    H    ILE  39           H        ILE  39  -0.471  -5.179  -4.788
  291    HA   ILE  39           HA       ILE  39   0.518  -3.564  -2.682
  292    HB   ILE  39           HB       ILE  39   0.518  -6.619  -2.762
  293   HG12  ILE  39          2HG1      ILE  39  -1.731  -5.795  -3.293
  294   HG13  ILE  39          1HG1      ILE  39  -1.721  -6.510  -1.689
  295   HG21  ILE  39          1HG2      ILE  39   1.863  -5.713  -0.899
  296   HG22  ILE  39          2HG2      ILE  39   0.406  -6.505  -0.294
  297   HG23  ILE  39          3HG2      ILE  39   0.486  -4.744  -0.360
  298   HD11  ILE  39          1HD1      ILE  39  -1.705  -4.276  -0.701
  299   HD12  ILE  39          2HD1      ILE  39  -3.084  -4.520  -1.767
  300   HD13  ILE  39          3HD1      ILE  39  -1.712  -3.559  -2.315
  301    H    PHE  40           H        PHE  40   2.052  -6.048  -4.706
  302    HA   PHE  40           HA       PHE  40   4.660  -6.034  -3.665
  303    HB2  PHE  40          2HB       PHE  40   3.790  -7.738  -5.239
  304    HB3  PHE  40          1HB       PHE  40   3.704  -6.540  -6.522
  305    HD1  PHE  40           HD1      PHE  40   6.122  -8.295  -4.253
  306    HD2  PHE  40           HD2      PHE  40   5.603  -6.191  -7.949
  307    HE1  PHE  40           HE1      PHE  40   8.428  -8.845  -4.898
  308    HE2  PHE  40           HE2      PHE  40   7.911  -6.747  -8.584
  309    HZ   PHE  40           HZ       PHE  40   9.328  -8.076  -7.061
  310    H    ASP  41           H        ASP  41   3.032  -3.792  -5.775
  311    HA   ASP  41           HA       ASP  41   5.422  -2.301  -6.526
  312    HB2  ASP  41          2HB       ASP  41   3.482  -2.734  -8.089
  313    HB3  ASP  41          1HB       ASP  41   2.492  -1.692  -7.077
  314    H    LEU  42           H        LEU  42   2.837  -2.106  -4.144
  315    HA   LEU  42           HA       LEU  42   3.152   0.665  -3.428
  316    HB2  LEU  42          2HB       LEU  42   1.774  -1.634  -1.976
  317    HB3  LEU  42          1HB       LEU  42   1.754   0.021  -1.393
  318    HG   LEU  42           HG       LEU  42   0.521  -0.914  -4.019
  319   HD11  LEU  42          1HD1      LEU  42  -0.888  -0.156  -1.442
  320   HD12  LEU  42          2HD1      LEU  42  -0.719  -1.790  -2.090
  321   HD13  LEU  42          3HD1      LEU  42  -1.657  -0.590  -2.975
  322   HD21  LEU  42          1HD2      LEU  42   0.398   1.822  -2.699
  323   HD22  LEU  42          2HD2      LEU  42  -0.490   1.331  -4.144
  324   HD23  LEU  42          3HD2      LEU  42   1.269   1.414  -4.180
  325    H    VAL  43           H        VAL  43   4.457  -2.401  -2.292
  326    HA   VAL  43           HA       VAL  43   5.442  -1.592   0.207
  327    HB   VAL  43           HB       VAL  43   6.911  -3.563   0.179
  328   HG11  VAL  43          1HG1      VAL  43   4.143  -4.148  -0.864
  329   HG12  VAL  43          2HG1      VAL  43   4.640  -3.967   0.816
  330   HG13  VAL  43          3HG1      VAL  43   5.212  -5.336  -0.126
  331   HG21  VAL  43          1HG2      VAL  43   7.704  -3.505  -2.159
  332   HG22  VAL  43          2HG2      VAL  43   6.103  -3.983  -2.718
  333   HG23  VAL  43          3HG2      VAL  43   7.061  -5.099  -1.747
  334    H    ASP  44           H        ASP  44   6.958  -1.444  -3.044
  335    HA   ASP  44           HA       ASP  44   9.613  -0.914  -2.128
  336    HB2  ASP  44          2HB       ASP  44   8.343  -0.357  -4.842
  337    HB3  ASP  44          1HB       ASP  44  10.074  -0.251  -4.507
  338    H    PHE  45           H        PHE  45   6.891   1.139  -2.913
  339    HA   PHE  45           HA       PHE  45   8.212   3.633  -2.794
  340    HB2  PHE  45          2HB       PHE  45   5.968   3.349  -3.764
  341    HB3  PHE  45          1HB       PHE  45   5.316   2.898  -2.190
  342    HD1  PHE  45           HD1      PHE  45   7.026   5.726  -3.982
  343    HD2  PHE  45           HD2      PHE  45   4.446   4.593  -0.756
  344    HE1  PHE  45           HE1      PHE  45   6.571   8.093  -3.505
  345    HE2  PHE  45           HE2      PHE  45   3.988   6.958  -0.308
  346    HZ   PHE  45           HZ       PHE  45   5.050   8.706  -1.668
  347    H    LEU  46           H        LEU  46   6.333   1.823  -0.312
  348    HA   LEU  46           HA       LEU  46   6.855   3.516   1.891
  349    HB2  LEU  46          2HB       LEU  46   6.296   0.528   1.880
  350    HB3  LEU  46          1HB       LEU  46   6.189   1.566   3.290
  351    HG   LEU  46           HG       LEU  46   4.386   1.681   0.829
  352   HD11  LEU  46          1HD1      LEU  46   3.893  -0.231   2.275
  353   HD12  LEU  46          2HD1      LEU  46   2.590   0.952   2.315
  354   HD13  LEU  46          3HD1      LEU  46   3.717   0.842   3.669
  355   HD21  LEU  46          1HD2      LEU  46   4.718   3.956   1.671
  356   HD22  LEU  46          2HD2      LEU  46   4.296   3.447   3.307
  357   HD23  LEU  46          3HD2      LEU  46   3.080   3.409   2.028
  358    H    ARG  47           H        ARG  47   8.790   0.979   0.457
  359    HA   ARG  47           HA       ARG  47  10.657   0.565   2.577
  360    HB2  ARG  47          2HB       ARG  47  10.808   0.049  -0.421
  361    HB3  ARG  47          1HB       ARG  47  12.128  -0.361   0.668
  362    HG2  ARG  47          2HG       ARG  47  10.689  -1.949   1.854
  363    HG3  ARG  47          1HG       ARG  47   9.328  -1.518   0.815
  364    HD2  ARG  47          2HD       ARG  47  10.408  -3.620   0.086
  365    HD3  ARG  47          1HD       ARG  47  10.530  -2.364  -1.153
  366    HE   ARG  47           HE       ARG  47  12.822  -2.449   0.591
  367   HH11  ARG  47          1HH1      ARG  47  11.442  -3.882  -2.306
  368   HH12  ARG  47          2HH1      ARG  47  12.980  -4.398  -2.920
  369   HH21  ARG  47          1HH2      ARG  47  14.810  -3.152  -0.215
  370   HH22  ARG  47          2HH2      ARG  47  14.891  -3.983  -1.729
  371    H    GLN  48           H        GLN  48  10.474   2.664  -0.221
  372    HA   GLN  48           HA       GLN  48  13.167   3.615  -0.203
  373    HB2  GLN  48          2HB       GLN  48  11.628   3.490  -2.213
  374    HB3  GLN  48          1HB       GLN  48  10.705   4.827  -1.535
  375    HG2  GLN  48          2HG       GLN  48  12.720   6.268  -1.695
  376    HG3  GLN  48          1HG       GLN  48  13.607   4.925  -2.411
  377   HE21  GLN  48          1HE2      GLN  48  11.252   4.046  -4.042
  378   HE22  GLN  48          2HE2      GLN  48  11.114   5.216  -5.306
  379    H    GLU  49           H        GLU  49  10.125   4.684   1.182
  380    HA   GLU  49           HA       GLU  49  11.031   7.300   2.002
  381    HB2  GLU  49          2HB       GLU  49   8.537   5.778   2.888
  382    HB3  GLU  49          1HB       GLU  49   8.831   7.509   3.081
  383    HG2  GLU  49          2HG       GLU  49   8.392   5.995   0.494
  384    HG3  GLU  49          1HG       GLU  49   7.304   7.161   1.234
  385    H    SER  50           H        SER  50  10.260   4.236   3.630
  386    HA   SER  50           HA       SER  50  11.098   5.197   6.255
  387    HB2  SER  50          2HB       SER  50  10.149   2.423   5.445
  388    HB3  SER  50          1HB       SER  50  10.222   3.082   7.085
  389    HG   SER  50           HG       SER  50   8.441   3.635   5.001
  390    H    LYS  51           H        LYS  51  12.722   3.858   3.645
  391    HA   LYS  51           HA       LYS  51  14.813   3.142   3.242
  392    HB2  LYS  51          2HB       LYS  51  15.350   4.201   6.048
  393    HB3  LYS  51          1HB       LYS  51  16.599   3.802   4.874
  394    HG2  LYS  51          2HG       LYS  51  14.495   5.976   4.572
  395    HG3  LYS  51          1HG       LYS  51  16.200   6.228   4.965
  396    HD2  LYS  51          2HD       LYS  51  15.125   5.049   2.364
  397    HD3  LYS  51          1HD       LYS  51  15.730   6.691   2.580
  398    HE2  LYS  51          2HE       LYS  51  17.378   4.148   2.880
  399    HE3  LYS  51          1HE       LYS  51  17.419   5.249   1.503
  400    HZ1  LYS  51          1HZ       LYS  51  18.187   6.999   3.033
  401    HZ2  LYS  51          2HZ       LYS  51  19.253   5.691   2.941
  402    HZ3  LYS  51          3HZ       LYS  51  18.247   5.859   4.282
  403    H    VAL  52           H        VAL  52  13.024   1.164   4.086
  404    HA   VAL  52           HA       VAL  52  14.798  -0.789   5.455
  405    HB   VAL  52           HB       VAL  52  13.185   0.104   7.129
  406   HG11  VAL  52          1HG1      VAL  52  10.971  -0.976   5.334
  407   HG12  VAL  52          2HG1      VAL  52  11.320   0.728   5.623
  408   HG13  VAL  52          3HG1      VAL  52  10.748  -0.291   6.947
  409   HG21  VAL  52          1HG2      VAL  52  13.954  -2.224   7.400
  410   HG22  VAL  52          2HG2      VAL  52  12.626  -2.801   6.392
  411   HG23  VAL  52          3HG2      VAL  52  12.284  -2.065   7.959
  412    H    SER  53           H        SER  53  14.577  -2.920   4.725
  413    HA   SER  53           HA       SER  53  13.152  -3.317   2.184
  414    HB2  SER  53          2HB       SER  53  14.496  -5.450   2.094
  415    HB3  SER  53          1HB       SER  53  15.507  -4.011   2.244
  416    HG   SER  53           HG       SER  53  14.698  -5.598   4.453
  417    H    ILE  54           H        ILE  54  11.467  -4.752   1.948
  418    HA   ILE  54           HA       ILE  54  10.558  -6.331   4.287
  419    HB   ILE  54           HB       ILE  54   8.988  -4.452   3.849
  420   HG12  ILE  54          2HG1      ILE  54   7.835  -7.193   3.147
  421   HG13  ILE  54          1HG1      ILE  54   8.026  -6.531   4.765
  422   HG21  ILE  54          1HG2      ILE  54   8.537  -5.668   1.100
  423   HG22  ILE  54          2HG2      ILE  54   9.395  -4.165   1.427
  424   HG23  ILE  54          3HG2      ILE  54   7.675  -4.286   1.784
  425   HD11  ILE  54          1HD1      ILE  54   6.344  -4.812   4.238
  426   HD12  ILE  54          2HD1      ILE  54   5.719  -6.451   4.056
  427   HD13  ILE  54          3HD1      ILE  54   6.153  -5.515   2.628
  428    H    GLY  55           H        GLY  55   9.879  -8.445   3.866
  429    HA2  GLY  55          2HA       GLY  55  10.774  -9.635   1.332
  430    HA3  GLY  55          1HA       GLY  55  10.377 -10.492   2.815
  431    H    MET  56           H        MET  56   9.481 -11.416   0.424
  432    HA   MET  56           HA       MET  56   7.079 -10.252  -0.527
  433    HB2  MET  56          2HB       MET  56   8.903 -11.763  -1.713
  434    HB3  MET  56          1HB       MET  56   7.846 -13.081  -1.212
  435    HG2  MET  56          2HG       MET  56   5.978 -12.066  -2.387
  436    HG3  MET  56          1HG       MET  56   6.983 -10.668  -2.794
  437    HE1  MET  56          1HE       MET  56   5.387 -11.987  -5.070
  438    HE2  MET  56          2HE       MET  56   6.640 -12.060  -6.310
  439    HE3  MET  56          3HE       MET  56   6.551 -10.671  -5.224
  440    H    GLN  57           H        GLN  57   7.649 -12.282   2.092
  441    HA   GLN  57           HA       GLN  57   5.151 -13.734   2.146
  442    HB2  GLN  57          2HB       GLN  57   7.115 -13.306   4.437
  443    HB3  GLN  57          1HB       GLN  57   5.965 -14.630   4.248
  444    HG2  GLN  57          2HG       GLN  57   7.273 -15.623   2.487
  445    HG3  GLN  57          1HG       GLN  57   8.298 -14.193   2.348
  446   HE21  GLN  57          1HE2      GLN  57   9.785 -13.739   4.043
  447   HE22  GLN  57          2HE2      GLN  57  10.380 -15.002   5.063
  448    H    GLU  58           H        GLU  58   6.574 -10.832   3.582
  449    HA   GLU  58           HA       GLU  58   4.270 -10.257   5.284
  450    HB2  GLU  58          2HB       GLU  58   6.662  -8.435   4.804
  451    HB3  GLU  58          1HB       GLU  58   5.529  -8.398   6.145
  452    HG2  GLU  58          2HG       GLU  58   7.299  -9.397   7.212
  453    HG3  GLU  58          1HG       GLU  58   6.509 -10.844   6.597
  454    H    ILE  59           H        ILE  59   5.413  -9.458   2.085
  455    HA   ILE  59           HA       ILE  59   3.669  -7.262   1.533
  456    HB   ILE  59           HB       ILE  59   4.582  -9.441  -0.422
  457   HG12  ILE  59          2HG1      ILE  59   5.917  -6.788   0.295
  458   HG13  ILE  59          1HG1      ILE  59   6.547  -8.397   0.616
  459   HG21  ILE  59          1HG2      ILE  59   2.673  -8.097  -1.252
  460   HG22  ILE  59          2HG2      ILE  59   4.133  -7.867  -2.213
  461   HG23  ILE  59          3HG2      ILE  59   3.636  -6.626  -1.053
  462   HD11  ILE  59          1HD1      ILE  59   6.767  -8.772  -1.804
  463   HD12  ILE  59          2HD1      ILE  59   7.697  -7.389  -1.231
  464   HD13  ILE  59          3HD1      ILE  59   6.181  -7.128  -2.090
  465    H    HIS  60           H        HIS  60   1.565  -7.529   2.209
  466    HA   HIS  60           HA       HIS  60  -0.055  -9.607   0.928
  467    HB2  HIS  60          2HB       HIS  60   0.381  -9.405   3.890
  468    HB3  HIS  60          1HB       HIS  60  -1.303  -9.568   3.406
  469    HD1  HIS  60           HD1      HIS  60   1.993 -11.388   2.722
  470    HD2  HIS  60           HD2      HIS  60  -2.080 -12.125   3.109
  471    HE1  HIS  60           HE1      HIS  60   1.739 -13.872   2.506
  472    HE2  HIS  60           HE2      HIS  60  -0.743 -14.284   2.634
  473    HA   PRO  61           HA       PRO  61  -2.890  -6.078   0.540
  474    HB2  PRO  61          2HB       PRO  61  -5.170  -7.563  -0.127
  475    HB3  PRO  61          1HB       PRO  61  -3.934  -7.050  -1.295
  476    HG2  PRO  61          2HG       PRO  61  -4.286  -9.711   0.028
  477    HG3  PRO  61          1HG       PRO  61  -3.806  -9.331  -1.641
  478    HD2  PRO  61          2HD       PRO  61  -1.993 -10.078   0.248
  479    HD3  PRO  61          1HD       PRO  61  -1.581  -8.950  -1.055
  480    H    ALA  62           H        ALA  62  -3.289  -8.924   2.569
  481    HA   ALA  62           HA       ALA  62  -5.380  -8.143   4.262
  482    HB1  ALA  62          1HB       ALA  62  -4.440 -10.409   4.287
  483    HB2  ALA  62          2HB       ALA  62  -4.407  -9.715   5.909
  484    HB3  ALA  62          3HB       ALA  62  -2.925  -9.795   4.950
  485    H    ASN  63           H        ASN  63  -1.904  -7.433   4.414
  486    HA   ASN  63           HA       ASN  63  -2.043  -5.847   6.836
  487    HB2  ASN  63          2HB       ASN  63   0.206  -6.096   4.790
  488    HB3  ASN  63          1HB       ASN  63   0.352  -5.400   6.403
  489   HD21  ASN  63          1HD2      ASN  63   1.885  -7.562   5.304
  490   HD22  ASN  63          2HD2      ASN  63   1.600  -8.942   6.307
  491    H    PHE  64           H        PHE  64  -2.097  -5.320   3.391
  492    HA   PHE  64           HA       PHE  64  -2.076  -2.383   3.602
  493    HB2  PHE  64          2HB       PHE  64  -1.906  -4.300   1.232
  494    HB3  PHE  64          1HB       PHE  64  -2.013  -2.553   1.049
  495    HD1  PHE  64           HD1      PHE  64   0.082  -5.070   2.902
  496    HD2  PHE  64           HD2      PHE  64   0.033  -1.429   0.672
  497    HE1  PHE  64           HE1      PHE  64   2.503  -4.976   3.009
  498    HE2  PHE  64           HE2      PHE  64   2.487  -1.325   0.826
  499    HZ   PHE  64           HZ       PHE  64   3.714  -3.114   1.997
  500    H    ALA  65           H        ALA  65  -4.354  -4.094   4.534
  501    HA   ALA  65           HA       ALA  65  -6.555  -4.118   2.768
  502    HB1  ALA  65          1HB       ALA  65  -7.929  -4.426   4.790
  503    HB2  ALA  65          2HB       ALA  65  -6.576  -3.914   5.804
  504    HB3  ALA  65          3HB       ALA  65  -6.462  -5.409   4.874
  505    H    THR  66           H        THR  66  -5.178  -1.600   4.760
  506    HA   THR  66           HA       THR  66  -6.614   0.452   3.267
  507    HB   THR  66           HB       THR  66  -6.875   1.880   5.362
  508    HG1  THR  66           HG1      THR  66  -6.542  -0.570   6.767
  509   HG21  THR  66          1HG2      THR  66  -8.544  -0.661   5.445
  510   HG22  THR  66          2HG2      THR  66  -8.889   0.761   4.457
  511   HG23  THR  66          3HG2      THR  66  -8.952   0.874   6.218
  512    H    VAL  67           H        VAL  67  -5.414   2.607   3.623
  513    HA   VAL  67           HA       VAL  67  -2.576   2.187   3.417
  514    HB   VAL  67           HB       VAL  67  -4.170   4.771   3.516
  515   HG11  VAL  67          1HG1      VAL  67  -1.850   5.265   4.131
  516   HG12  VAL  67          2HG1      VAL  67  -2.174   5.867   2.503
  517   HG13  VAL  67          3HG1      VAL  67  -1.257   4.375   2.723
  518   HG21  VAL  67          1HG2      VAL  67  -4.785   3.349   1.596
  519   HG22  VAL  67          2HG2      VAL  67  -3.088   3.226   1.117
  520   HG23  VAL  67          3HG2      VAL  67  -3.917   4.785   1.048
  521    H    GLN  68           H        GLN  68  -4.731   3.273   5.963
  522    HA   GLN  68           HA       GLN  68  -2.726   4.211   7.773
  523    HB2  GLN  68          2HB       GLN  68  -4.528   4.149   9.466
  524    HB3  GLN  68          1HB       GLN  68  -5.049   4.939   7.983
  525    HG2  GLN  68          2HG       GLN  68  -6.146   2.760   7.319
  526    HG3  GLN  68          1HG       GLN  68  -5.788   2.159   8.939
  527   HE21  GLN  68          1HE2      GLN  68  -7.957   1.921   9.473
  528   HE22  GLN  68          2HE2      GLN  68  -9.013   3.263   9.732
  529    H    SER  69           H        SER  69  -4.185   1.022   7.171
  530    HA   SER  69           HA       SER  69  -2.902  -0.374   9.306
  531    HB2  SER  69          2HB       SER  69  -4.014  -1.374   6.651
  532    HB3  SER  69          1HB       SER  69  -3.452  -2.432   7.949
  533    HG   SER  69           HG       SER  69  -5.385  -2.238   8.698
  534    H    MET  70           H        MET  70  -2.018   0.309   5.906
  535    HA   MET  70           HA       MET  70   0.235  -1.487   5.853
  536    HB2  MET  70          2HB       MET  70   0.500  -0.928   3.595
  537    HB3  MET  70          1HB       MET  70  -1.228  -0.672   3.835
  538    HG2  MET  70          2HG       MET  70  -0.873   1.737   3.934
  539    HG3  MET  70          1HG       MET  70   0.870   1.522   3.822
  540    HE1  MET  70          1HE       MET  70  -2.030   0.546   0.328
  541    HE2  MET  70          2HE       MET  70  -2.577   1.345   1.802
  542    HE3  MET  70          3HE       MET  70  -2.040  -0.338   1.855
  543    H    VAL  71           H        VAL  71  -0.216   1.931   6.558
  544    HA   VAL  71           HA       VAL  71   2.505   2.769   6.435
  545    HB   VAL  71           HB       VAL  71   0.175   4.147   6.646
  546   HG11  VAL  71          1HG1      VAL  71   1.178   4.356   9.480
  547   HG12  VAL  71          2HG1      VAL  71  -0.318   3.579   8.967
  548   HG13  VAL  71          3HG1      VAL  71  -0.119   5.320   8.759
  549   HG21  VAL  71          1HG2      VAL  71   2.301   5.127   5.897
  550   HG22  VAL  71          2HG2      VAL  71   2.846   5.260   7.570
  551   HG23  VAL  71          3HG2      VAL  71   1.479   6.225   7.009
  552    H    ALA  72           H        ALA  72   0.477   1.358   8.849
  553    HA   ALA  72           HA       ALA  72   2.234   1.829  11.097
  554    HB1  ALA  72          1HB       ALA  72  -0.222   2.066  11.234
  555    HB2  ALA  72          2HB       ALA  72   0.401   0.877  12.393
  556    HB3  ALA  72          3HB       ALA  72  -0.396   0.339  10.909
  557    H    LEU  73           H        LEU  73   1.389  -0.763   8.917
  558    HA   LEU  73           HA       LEU  73   2.499  -3.012  10.163
  559    HB2  LEU  73          2HB       LEU  73   1.286  -3.612   8.282
  560    HB3  LEU  73          1HB       LEU  73   1.722  -2.156   7.413
  561    HG   LEU  73           HG       LEU  73   4.057  -3.273   7.130
  562   HD11  LEU  73          1HD1      LEU  73   3.830  -5.121   8.660
  563   HD12  LEU  73          2HD1      LEU  73   4.075  -5.721   7.018
  564   HD13  LEU  73          3HD1      LEU  73   2.464  -5.766   7.745
  565   HD21  LEU  73          1HD2      LEU  73   2.595  -2.798   5.299
  566   HD22  LEU  73          2HD2      LEU  73   1.662  -4.262   5.602
  567   HD23  LEU  73          3HD2      LEU  73   3.340  -4.380   5.068
  568    H    VAL  74           H        VAL  74   3.872  -0.517   8.046
  569    HA   VAL  74           HA       VAL  74   6.488  -1.517   7.840
  570    HB   VAL  74           HB       VAL  74   5.589   1.401   7.708
  571   HG11  VAL  74          1HG1      VAL  74   8.179   0.118   6.719
  572   HG12  VAL  74          2HG1      VAL  74   8.026   1.252   8.063
  573   HG13  VAL  74          3HG1      VAL  74   7.688   1.788   6.418
  574   HG21  VAL  74          1HG2      VAL  74   4.423  -0.014   6.044
  575   HG22  VAL  74          2HG2      VAL  74   5.971  -0.617   5.449
  576   HG23  VAL  74          3HG2      VAL  74   5.549   1.086   5.246
  577    H    GLN  75           H        GLN  75   4.971   0.658  10.200
  578    HA   GLN  75           HA       GLN  75   7.284   1.358  11.692
  579    HB2  GLN  75          2HB       GLN  75   4.382   1.196  12.640
  580    HB3  GLN  75          1HB       GLN  75   5.676   2.117  13.406
  581    HG2  GLN  75          2HG       GLN  75   5.826   3.599  11.461
  582    HG3  GLN  75          1HG       GLN  75   4.634   2.632  10.597
  583   HE21  GLN  75          1HE2      GLN  75   4.545   5.461  11.202
  584   HE22  GLN  75          2HE2      GLN  75   3.112   5.724  12.131
  585    H    ARG  76           H        ARG  76   5.236  -1.501  11.753
  586    HA   ARG  76           HA       ARG  76   6.132  -2.613  14.250
  587    HB2  ARG  76          2HB       ARG  76   4.874  -3.982  11.844
  588    HB3  ARG  76          1HB       ARG  76   5.037  -4.699  13.449
  589    HG2  ARG  76          2HG       ARG  76   3.448  -3.126  14.384
  590    HG3  ARG  76          1HG       ARG  76   3.432  -2.182  12.892
  591    HD2  ARG  76          2HD       ARG  76   2.520  -4.205  11.708
  592    HD3  ARG  76          1HD       ARG  76   2.370  -4.992  13.283
  593    HE   ARG  76           HE       ARG  76   0.994  -2.675  13.618
  594   HH11  ARG  76          1HH1      ARG  76   0.797  -5.203  11.199
  595   HH12  ARG  76          2HH1      ARG  76  -0.887  -4.972  10.903
  596   HH21  ARG  76          1HH2      ARG  76  -1.233  -2.378  13.219
  597   HH22  ARG  76          2HH2      ARG  76  -2.039  -3.364  12.057
  598    H    LEU  77           H        LEU  77   6.980  -3.226  10.791
  599    HA   LEU  77           HA       LEU  77   9.063  -5.123  11.455
  600    HB2  LEU  77          2HB       LEU  77   9.609  -5.112   9.013
  601    HB3  LEU  77          1HB       LEU  77   7.947  -5.512   9.391
  602    HG   LEU  77           HG       LEU  77   7.379  -3.064   8.788
  603   HD11  LEU  77          1HD1      LEU  77   9.549  -2.025   8.782
  604   HD12  LEU  77          2HD1      LEU  77   8.873  -1.947   7.151
  605   HD13  LEU  77          3HD1      LEU  77  10.134  -3.127   7.525
  606   HD21  LEU  77          1HD2      LEU  77   6.707  -4.936   7.405
  607   HD22  LEU  77          2HD2      LEU  77   8.279  -4.954   6.601
  608   HD23  LEU  77          3HD2      LEU  77   7.193  -3.578   6.392
  609    H    LYS  78           H        LYS  78   8.917  -1.715  11.311
  610    HA   LYS  78           HA       LYS  78  11.740  -1.179  11.165
  611    HB2  LYS  78          2HB       LYS  78   9.377   0.398  12.245
  612    HB3  LYS  78          1HB       LYS  78  11.018   1.015  12.279
  613    HG2  LYS  78          2HG       LYS  78   9.494   0.268   9.768
  614    HG3  LYS  78          1HG       LYS  78   9.656   1.905  10.394
  615    HD2  LYS  78          2HD       LYS  78  12.048   0.197   9.606
  616    HD3  LYS  78          1HD       LYS  78  11.216   1.256   8.470
  617    HE2  LYS  78          2HE       LYS  78  13.110   2.479   9.258
  618    HE3  LYS  78          1HE       LYS  78  11.712   3.172  10.076
  619    HZ1  LYS  78          1HZ       LYS  78  12.280   1.925  12.043
  620    HZ2  LYS  78          2HZ       LYS  78  13.589   2.866  11.546
  621    HZ3  LYS  78          3HZ       LYS  78  13.591   1.208  11.253
  622    H    ALA  79           H        ALA  79   9.396  -1.907  13.673
  623    HA   ALA  79           HA       ALA  79  11.244  -1.585  15.897
  624    HB1  ALA  79          1HB       ALA  79   8.357  -2.538  15.843
  625    HB2  ALA  79          2HB       ALA  79   8.893  -0.889  16.163
  626    HB3  ALA  79          3HB       ALA  79   9.292  -2.178  17.301
  627    H    HIS  80           H        HIS  80  11.286  -3.791  13.651
  628    HA   HIS  80           HA       HIS  80  10.607  -6.294  14.457
  629    HB2  HIS  80          2HB       HIS  80  12.236  -7.138  12.810
  630    HB3  HIS  80          1HB       HIS  80  11.360  -5.745  12.185
  631    HD1  HIS  80           HD1      HIS  80  14.688  -7.041  12.617
  632    HD2  HIS  80           HD2      HIS  80  13.040  -3.267  12.331
  633    HE1  HIS  80           HE1      HIS  80  16.579  -5.548  11.966
  634    HE2  HIS  80           HE2      HIS  80  15.602  -3.228  12.060
  635    HA   PRO  81           HA       PRO  81  13.542  -7.192  17.840
  636    HB2  PRO  81          2HB       PRO  81  12.645  -9.749  18.409
  637    HB3  PRO  81          1HB       PRO  81  11.832  -8.274  18.964
  638    HG2  PRO  81          2HG       PRO  81  11.111 -10.077  16.694
  639    HG3  PRO  81          1HG       PRO  81  10.050  -9.201  17.819
  640    HD2  PRO  81          2HD       PRO  81  10.581  -8.358  15.240
  641    HD3  PRO  81          1HD       PRO  81  10.087  -7.270  16.554
  642    H    GLU  82           H        GLU  82  13.005 -10.217  15.899
  643    HA   GLU  82           HA       GLU  82  15.692 -10.188  14.816
  644    HB2  GLU  82          2HB       GLU  82  16.205 -10.960  17.098
  645    HB3  GLU  82          1HB       GLU  82  14.974 -12.214  16.998
  646    HG2  GLU  82          2HG       GLU  82  17.276 -13.108  16.733
  647    HG3  GLU  82          1HG       GLU  82  16.264 -13.423  15.326
  648    H    GLN  83           H        GLN  83  14.774 -10.456  12.829
  649    HA   GLN  83           HA       GLN  83  13.345 -12.993  12.221
  650    HB2  GLN  83          2HB       GLN  83  13.247 -10.251  10.901
  651    HB3  GLN  83          1HB       GLN  83  12.760 -11.684  10.018
  652    HG2  GLN  83          2HG       GLN  83  10.783 -10.625  10.841
  653    HG3  GLN  83          1HG       GLN  83  11.014 -12.110  11.758
  654   HE21  GLN  83          1HE2      GLN  83  11.469 -11.960  13.983
  655   HE22  GLN  83          2HE2      GLN  83  11.259 -10.489  14.860
  656    H    GLY  84           H        GLY  84  15.524 -10.621  10.754
  657    HA2  GLY  84          2HA       GLY  84  17.698 -12.291  10.207
  658    HA3  GLY  84          1HA       GLY  84  16.670 -12.250   8.773
  659    H    GLY  85           H        GLY  85  19.355 -11.207   8.993
  660    HA2  GLY  85          2HA       GLY  85  19.247  -8.318   9.084
  661    HA3  GLY  85          1HA       GLY  85  20.603  -9.314   8.589
  662    H    ALA  86           H        ALA  86  21.213  -8.757   6.582
  663    HA   ALA  86           HA       ALA  86  21.262  -8.574   4.350
  664    HB1  ALA  86          1HB       ALA  86  19.450  -9.415   2.925
  665    HB2  ALA  86          2HB       ALA  86  18.358  -9.455   4.315
  666    HB3  ALA  86          3HB       ALA  86  19.762 -10.522   4.266
  667    H    ALA  87           H        ALA  87  19.075  -6.662   6.160
  668    HA   ALA  87           HA       ALA  87  18.199  -4.880   4.070
  669    HB1  ALA  87          1HB       ALA  87  18.038  -4.641   7.107
  670    HB2  ALA  87          2HB       ALA  87  16.783  -5.254   6.030
  671    HB3  ALA  87          3HB       ALA  87  17.250  -3.556   5.954
  672    H    LEU  88           H        LEU  88  20.063  -4.067   3.100
  673    HA   LEU  88           HA       LEU  88  22.286  -2.897   4.390
  674    HB2  LEU  88          2HB       LEU  88  22.333  -3.641   2.037
  675    HB3  LEU  88          1HB       LEU  88  21.164  -2.406   1.598
  676    HG   LEU  88           HG       LEU  88  22.843  -0.636   2.207
  677   HD11  LEU  88          1HD1      LEU  88  24.777  -2.938   2.597
  678   HD12  LEU  88          2HD1      LEU  88  24.186  -1.836   3.843
  679   HD13  LEU  88          3HD1      LEU  88  25.211  -1.227   2.545
  680   HD21  LEU  88          1HD2      LEU  88  24.302  -0.914   0.241
  681   HD22  LEU  88          2HD2      LEU  88  22.622  -1.293  -0.128
  682   HD23  LEU  88          3HD2      LEU  88  23.790  -2.599   0.093
  683    H    GLU  89           H        GLU  89  22.553  -0.950   5.284
  684    HA   GLU  89           HA       GLU  89  20.282   0.917   5.406
  685    HB2  GLU  89          2HB       GLU  89  21.587   1.862   7.396
  686    HB3  GLU  89          1HB       GLU  89  20.931   0.240   7.579
  687    HG2  GLU  89          2HG       GLU  89  23.199  -0.690   7.073
  688    HG3  GLU  89          1HG       GLU  89  23.832   0.957   7.021
  689   H282  PNS 101          3H28      PNS 136   0.176 -12.164  -3.744
  690   H281  PNS 101          2H28      PNS 136  -0.428 -10.525  -3.554
  691   H303  PNS 101          3H51      PNS 136   1.151  -8.573  -3.520
  692   H302  PNS 101          2H51      PNS 136   2.879  -8.828  -3.760
  693   H301  PNS 101          1H51      PNS 136   1.758  -9.041  -5.121
  694   H313  PNS 101          3H52      PNS 136   3.769 -11.115  -4.143
  695   H312  PNS 101          2H52      PNS 136   2.648 -11.355  -5.482
  696   H311  PNS 101          1H52      PNS 136   2.693 -12.517  -4.144
  697    H32  PNS 101           H32      PNS 136   2.889 -10.371  -1.870
  698    H33  PNS 101           H33      PNS 136   0.062 -10.325  -1.565
  699    H36  PNS 101           H36      PNS 136   3.660 -12.565  -2.107
  700   H372  PNS 101          3H37      PNS 136   3.924 -14.752  -1.634
  701   H371  PNS 101          2H37      PNS 136   2.964 -14.404  -0.198
  702   H382  PNS 101          3H38      PNS 136   2.012 -16.283  -1.489
  703   H381  PNS 101          2H38      PNS 136   0.905 -14.920  -1.408
  704    H41  PNS 101           H41      PNS 136   3.672 -15.214  -3.623
  705   H422  PNS 101          3H42      PNS 136   1.963 -14.816  -5.970
  706   H421  PNS 101          2H42      PNS 136   2.894 -16.312  -5.895
  707   H431  PNS 101          2H43      PNS 136   4.041 -13.496  -5.797
  708   H432  PNS 101          3H43      PNS 136   4.984 -14.999  -5.730
  709    H44  PNS 101           H44      PNS 136   5.212 -13.923  -8.310
  Start of MODEL   11
    1    H1   MET   1          1H        MET   1   2.162  16.692   0.150
    2    H2   MET   1          2H        MET   1   1.954  16.149   1.737
    3    H3   MET   1          3H        MET   1   0.719  17.004   0.968
    4    HA   MET   1           HA       MET   1   0.283  14.630   1.100
    5    HB2  MET   1          2HB       MET   1   0.639  15.842  -1.671
    6    HB3  MET   1          1HB       MET   1  -0.166  14.297  -1.414
    7    HG2  MET   1          2HG       MET   1  -1.867  15.402  -0.018
    8    HG3  MET   1          1HG       MET   1  -1.066  16.957  -0.265
    9    HE1  MET   1          1HE       MET   1  -4.421  17.134  -2.448
   10    HE2  MET   1          2HE       MET   1  -3.530  17.907  -1.138
   11    HE3  MET   1          3HE       MET   1  -4.210  16.294  -0.909
   12    H    LEU   2           H        LEU   2   1.131  12.697   1.150
   13    HA   LEU   2           HA       LEU   2   3.702  12.051  -0.166
   14    HB2  LEU   2          2HB       LEU   2   3.906  11.893   2.234
   15    HB3  LEU   2          1HB       LEU   2   2.386  11.047   2.404
   16    HG   LEU   2           HG       LEU   2   4.574   9.627   0.875
   17   HD11  LEU   2          1HD1      LEU   2   4.644   9.810   3.910
   18   HD12  LEU   2          2HD1      LEU   2   5.824  10.517   2.801
   19   HD13  LEU   2          3HD1      LEU   2   5.647   8.769   2.893
   20   HD21  LEU   2          1HD2      LEU   2   2.519   8.636   2.896
   21   HD22  LEU   2          2HD2      LEU   2   3.631   7.626   1.965
   22   HD23  LEU   2          3HD2      LEU   2   2.377   8.542   1.137
   23    H    GLU   3           H        GLU   3   0.460  10.935   0.613
   24    HA   GLU   3           HA       GLU   3   0.641   8.422  -0.666
   25    HB2  GLU   3          2HB       GLU   3  -1.956   8.466  -0.433
   26    HB3  GLU   3          1HB       GLU   3  -0.941   8.385   0.986
   27    HG2  GLU   3          2HG       GLU   3  -2.834   9.868   1.309
   28    HG3  GLU   3          1HG       GLU   3  -1.302  10.694   1.490
   29    H    SER   4           H        SER   4  -0.293  11.549  -1.827
   30    HA   SER   4           HA       SER   4  -1.769  10.938  -4.092
   31    HB2  SER   4          2HB       SER   4   0.210  13.224  -3.717
   32    HB3  SER   4          1HB       SER   4  -0.975  13.118  -5.020
   33    HG   SER   4           HG       SER   4  -1.537  13.202  -2.241
   34    H    LYS   5           H        LYS   5   1.685  10.539  -3.597
   35    HA   LYS   5           HA       LYS   5   2.347  10.102  -6.361
   36    HB2  LYS   5          2HB       LYS   5   3.977  10.957  -4.680
   37    HB3  LYS   5          1HB       LYS   5   3.902   9.416  -3.830
   38    HG2  LYS   5          2HG       LYS   5   5.900   9.406  -5.148
   39    HG3  LYS   5          1HG       LYS   5   4.764   8.301  -5.920
   40    HD2  LYS   5          2HD       LYS   5   5.704   9.504  -7.728
   41    HD3  LYS   5          1HD       LYS   5   4.150  10.292  -7.471
   42    HE2  LYS   5          2HE       LYS   5   6.794  11.333  -6.383
   43    HE3  LYS   5          1HE       LYS   5   6.071  11.872  -7.894
   44    HZ1  LYS   5          1HZ       LYS   5   5.562  13.434  -6.212
   45    HZ2  LYS   5          2HZ       LYS   5   5.011  12.242  -5.155
   46    HZ3  LYS   5          3HZ       LYS   5   4.127  12.604  -6.553
   47    H    LEU   6           H        LEU   6   1.921   7.972  -3.461
   48    HA   LEU   6           HA       LEU   6   2.534   5.559  -4.830
   49    HB2  LEU   6          2HB       LEU   6   1.987   4.366  -2.850
   50    HB3  LEU   6          1HB       LEU   6   2.732   5.866  -2.348
   51    HG   LEU   6           HG       LEU   6   0.124   6.604  -2.090
   52   HD11  LEU   6          1HD1      LEU   6   0.020   3.627  -1.540
   53   HD12  LEU   6          2HD1      LEU   6  -0.820   4.482  -2.836
   54   HD13  LEU   6          3HD1      LEU   6  -1.244   4.801  -1.158
   55   HD21  LEU   6          1HD2      LEU   6   1.854   6.722  -0.315
   56   HD22  LEU   6          2HD2      LEU   6   1.561   5.021   0.068
   57   HD23  LEU   6          3HD2      LEU   6   0.274   6.223   0.294
   58    H    ILE   7           H        ILE   7  -0.470   7.255  -4.201
   59    HA   ILE   7           HA       ILE   7  -2.259   5.246  -5.127
   60    HB   ILE   7           HB       ILE   7  -2.692   8.259  -4.877
   61   HG12  ILE   7          2HG1      ILE   7  -3.627   6.046  -2.985
   62   HG13  ILE   7          1HG1      ILE   7  -2.184   7.016  -2.709
   63   HG21  ILE   7          1HG2      ILE   7  -5.134   7.729  -4.980
   64   HG22  ILE   7          2HG2      ILE   7  -4.747   6.032  -5.275
   65   HG23  ILE   7          3HG2      ILE   7  -4.304   7.256  -6.465
   66   HD11  ILE   7          1HD1      ILE   7  -5.018   8.053  -2.854
   67   HD12  ILE   7          2HD1      ILE   7  -3.574   9.040  -2.597
   68   HD13  ILE   7          3HD1      ILE   7  -4.046   7.835  -1.400
   69    H    ASN   8           H        ASN   8  -1.197   8.393  -6.603
   70    HA   ASN   8           HA       ASN   8  -2.507   8.094  -9.046
   71    HB2  ASN   8          2HB       ASN   8  -1.406  10.197  -8.123
   72    HB3  ASN   8          1HB       ASN   8   0.130   9.583  -8.698
   73   HD21  ASN   8          1HD2      ASN   8  -0.452   8.722 -11.295
   74   HD22  ASN   8          2HD2      ASN   8  -1.072  10.037 -12.220
   75    H    HIS   9           H        HIS   9   0.585   6.789  -8.015
   76    HA   HIS   9           HA       HIS   9   1.846   6.075 -10.356
   77    HB2  HIS   9          2HB       HIS   9   2.757   5.774  -8.042
   78    HB3  HIS   9          1HB       HIS   9   1.684   4.399  -7.805
   79    HD1  HIS   9           HD1      HIS   9   5.062   5.054  -8.545
   80    HD2  HIS   9           HD2      HIS   9   2.303   2.353 -10.047
   81    HE1  HIS   9           HE1      HIS   9   6.423   3.259  -9.628
   82    HE2  HIS   9           HE2      HIS   9   4.728   1.508 -10.233
   83    H    ILE  10           H        ILE  10  -0.233   3.798  -8.493
   84    HA   ILE  10           HA       ILE  10  -0.627   2.144 -10.853
   85    HB   ILE  10           HB       ILE  10  -2.155   0.809  -9.244
   86   HG12  ILE  10          2HG1      ILE  10  -1.382   1.048  -6.760
   87   HG13  ILE  10          1HG1      ILE  10  -0.798   2.638  -7.204
   88   HG21  ILE  10          1HG2      ILE  10  -0.212  -0.405  -8.287
   89   HG22  ILE  10          2HG2      ILE  10   0.838   0.935  -8.756
   90   HG23  ILE  10          3HG2      ILE  10  -0.006  -0.004  -9.990
   91   HD11  ILE  10          1HD1      ILE  10  -3.656   1.699  -7.335
   92   HD12  ILE  10          2HD1      ILE  10  -3.064   3.304  -7.775
   93   HD13  ILE  10          3HD1      ILE  10  -2.939   2.745  -6.107
   94    H    ALA  11           H        ALA  11  -2.344   4.666  -9.243
   95    HA   ALA  11           HA       ALA  11  -5.004   4.152  -9.967
   96    HB1  ALA  11          1HB       ALA  11  -4.357   5.885  -8.326
   97    HB2  ALA  11          2HB       ALA  11  -5.408   6.540  -9.583
   98    HB3  ALA  11          3HB       ALA  11  -3.673   6.858  -9.627
   99    H    THR  12           H        THR  12  -2.288   5.253 -11.868
  100    HA   THR  12           HA       THR  12  -3.676   6.493 -14.011
  101    HB   THR  12           HB       THR  12  -1.009   5.023 -14.074
  102    HG1  THR  12           HG1      THR  12  -0.636   6.658 -12.715
  103   HG21  THR  12          1HG2      THR  12  -2.128   7.111 -15.985
  104   HG22  THR  12          2HG2      THR  12  -1.849   5.409 -16.363
  105   HG23  THR  12          3HG2      THR  12  -0.482   6.472 -16.021
  106    H    GLN  13           H        GLN  13  -2.797   3.113 -13.331
  107    HA   GLN  13           HA       GLN  13  -4.018   2.181 -15.862
  108    HB2  GLN  13          2HB       GLN  13  -2.963  -0.023 -15.327
  109    HB3  GLN  13          1HB       GLN  13  -1.804   1.292 -15.480
  110    HG2  GLN  13          2HG       GLN  13  -1.584   1.431 -13.049
  111    HG3  GLN  13          1HG       GLN  13  -2.801   0.176 -12.847
  112   HE21  GLN  13          1HE2      GLN  13   0.487   0.836 -13.866
  113   HE22  GLN  13          2HE2      GLN  13   1.039  -0.799 -13.785
  114    H    PHE  14           H        PHE  14  -4.697   2.416 -12.514
  115    HA   PHE  14           HA       PHE  14  -6.635   0.186 -12.471
  116    HB2  PHE  14          2HB       PHE  14  -5.128   1.752 -10.348
  117    HB3  PHE  14          1HB       PHE  14  -6.690   1.071  -9.892
  118    HD1  PHE  14           HD1      PHE  14  -5.699  -0.358  -8.195
  119    HD2  PHE  14           HD2      PHE  14  -4.436  -0.681 -12.274
  120    HE1  PHE  14           HE1      PHE  14  -4.578  -2.477  -7.693
  121    HE2  PHE  14           HE2      PHE  14  -3.326  -2.796 -11.753
  122    HZ   PHE  14           HZ       PHE  14  -3.391  -3.704  -9.466
  123    H    LEU  15           H        LEU  15  -6.493   3.691 -12.316
  124    HA   LEU  15           HA       LEU  15  -9.429   3.900 -11.816
  125    HB2  LEU  15          2HB       LEU  15  -7.285   5.754 -10.705
  126    HB3  LEU  15          1HB       LEU  15  -9.010   5.828 -10.379
  127    HG   LEU  15           HG       LEU  15  -7.094   3.659  -9.431
  128   HD11  LEU  15          1HD1      LEU  15  -6.885   5.861  -8.292
  129   HD12  LEU  15          2HD1      LEU  15  -7.392   4.559  -7.240
  130   HD13  LEU  15          3HD1      LEU  15  -8.577   5.745  -7.790
  131   HD21  LEU  15          1HD2      LEU  15  -9.307   2.699  -9.883
  132   HD22  LEU  15          2HD2      LEU  15 -10.073   3.934  -8.876
  133   HD23  LEU  15          3HD2      LEU  15  -8.972   2.755  -8.159
  134    H    ASP  16           H        ASP  16  -7.285   4.366 -14.180
  135    HA   ASP  16           HA       ASP  16  -7.280   5.530 -16.135
  136    HB2  ASP  16          2HB       ASP  16  -9.869   5.575 -15.727
  137    HB3  ASP  16          1HB       ASP  16  -9.637   7.203 -15.134
  138    H    GLY  17           H        GLY  17  -6.045   6.508 -13.514
  139    HA2  GLY  17          2HA       GLY  17  -4.382   8.157 -13.237
  140    HA3  GLY  17          1HA       GLY  17  -5.220   9.199 -14.372
  141    H    GLU  18           H        GLU  18  -7.636   8.117 -12.429
  142    HA   GLU  18           HA       GLU  18  -7.744  10.676 -11.003
  143    HB2  GLU  18          2HB       GLU  18 -10.053  10.405 -10.965
  144    HB3  GLU  18          1HB       GLU  18  -9.716   9.335 -12.324
  145    HG2  GLU  18          2HG       GLU  18  -9.748   7.394 -10.738
  146    HG3  GLU  18          1HG       GLU  18 -10.208   8.491  -9.438
  147    H    LYS  19           H        LYS  19  -7.920  10.873  -8.724
  148    HA   LYS  19           HA       LYS  19  -7.506   8.420  -7.104
  149    HB2  LYS  19          2HB       LYS  19  -7.475  11.321  -6.149
  150    HB3  LYS  19          1HB       LYS  19  -7.070   9.882  -5.211
  151    HG2  LYS  19          2HG       LYS  19  -5.224   9.527  -7.058
  152    HG3  LYS  19          1HG       LYS  19  -5.473  11.248  -7.373
  153    HD2  LYS  19          2HD       LYS  19  -4.712   9.989  -4.714
  154    HD3  LYS  19          1HD       LYS  19  -3.625  10.891  -5.769
  155    HE2  LYS  19          2HE       LYS  19  -4.848  12.958  -5.343
  156    HE3  LYS  19          1HE       LYS  19  -6.101  12.081  -4.466
  157    HZ1  LYS  19          1HZ       LYS  19  -3.291  12.450  -3.622
  158    HZ2  LYS  19          2HZ       LYS  19  -4.415  11.485  -2.811
  159    HZ3  LYS  19          3HZ       LYS  19  -4.666  13.147  -2.939
  160    H    ASP  20           H        ASP  20  -9.438   7.466  -6.900
  161    HA   ASP  20           HA       ASP  20 -11.394   8.537  -5.159
  162    HB2  ASP  20          2HB       ASP  20 -12.091   9.746  -7.283
  163    HB3  ASP  20          1HB       ASP  20 -12.409   8.183  -8.026
  164    H    GLY  21           H        GLY  21 -12.361   6.894  -4.152
  165    HA2  GLY  21          2HA       GLY  21 -13.118   4.764  -3.659
  166    HA3  GLY  21          1HA       GLY  21 -12.708   4.237  -5.286
  167    H    LEU  22           H        LEU  22  -9.954   5.166  -5.167
  168    HA   LEU  22           HA       LEU  22  -8.725   3.502  -3.066
  169    HB2  LEU  22          2HB       LEU  22  -8.406   3.017  -5.661
  170    HB3  LEU  22          1HB       LEU  22  -7.306   4.355  -5.606
  171    HG   LEU  22           HG       LEU  22  -6.964   1.910  -3.828
  172   HD11  LEU  22          1HD1      LEU  22  -5.768   2.389  -6.571
  173   HD12  LEU  22          2HD1      LEU  22  -6.948   1.148  -6.133
  174   HD13  LEU  22          3HD1      LEU  22  -5.321   1.088  -5.464
  175   HD21  LEU  22          1HD2      LEU  22  -5.720   3.894  -3.053
  176   HD22  LEU  22          2HD2      LEU  22  -4.980   4.075  -4.646
  177   HD23  LEU  22          3HD2      LEU  22  -4.606   2.664  -3.654
  178    H    ASP  23           H        ASP  23  -8.302   4.894  -1.512
  179    HA   ASP  23           HA       ASP  23  -6.382   7.033  -2.032
  180    HB2  ASP  23          2HB       ASP  23  -8.858   7.415  -0.284
  181    HB3  ASP  23          1HB       ASP  23  -7.482   8.505  -0.298
  182    H    SER  24           H        SER  24  -5.768   7.834   0.376
  183    HA   SER  24           HA       SER  24  -4.373   5.642   1.504
  184    HB2  SER  24          2HB       SER  24  -3.858   8.240   1.430
  185    HB3  SER  24          1HB       SER  24  -4.806   8.297   2.910
  186    HG   SER  24           HG       SER  24  -2.527   6.677   2.467
  187    H    GLN  25           H        GLN  25  -7.126   7.625   2.674
  188    HA   GLN  25           HA       GLN  25  -7.502   6.093   5.077
  189    HB2  GLN  25          2HB       GLN  25  -7.661   8.599   4.762
  190    HB3  GLN  25          1HB       GLN  25  -9.140   8.355   3.856
  191    HG2  GLN  25          2HG       GLN  25  -9.064   7.180   6.579
  192    HG3  GLN  25          1HG       GLN  25  -9.029   8.932   6.488
  193   HE21  GLN  25          1HE2      GLN  25 -10.809  10.021   5.537
  194   HE22  GLN  25          2HE2      GLN  25 -12.361   9.274   5.455
  195    H    THR  26           H        THR  26  -8.731   5.927   1.865
  196    HA   THR  26           HA       THR  26 -11.408   5.024   2.423
  197    HB   THR  26           HB       THR  26  -9.841   4.948  -0.210
  198    HG1  THR  26           HG1      THR  26 -10.630   7.019  -0.522
  199   HG21  THR  26          1HG2      THR  26 -12.832   5.003   0.344
  200   HG22  THR  26          2HG2      THR  26 -11.926   3.643  -0.322
  201   HG23  THR  26          3HG2      THR  26 -12.091   5.135  -1.254
  202    HA   PRO  27           HA       PRO  27 -10.325   0.676   3.075
  203    HB2  PRO  27          2HB       PRO  27 -12.781  -0.504   2.684
  204    HB3  PRO  27          1HB       PRO  27 -12.390   0.451   4.137
  205    HG2  PRO  27          2HG       PRO  27 -13.862   1.329   1.661
  206    HG3  PRO  27          1HG       PRO  27 -14.289   1.607   3.365
  207    HD2  PRO  27          2HD       PRO  27 -13.088   3.513   1.891
  208    HD3  PRO  27          1HD       PRO  27 -12.710   3.320   3.615
  209    H    LEU  28           H        LEU  28  -8.994   0.020   1.479
  210    HA   LEU  28           HA       LEU  28  -9.631   0.029  -1.301
  211    HB2  LEU  28          2HB       LEU  28  -7.330  -1.403   0.080
  212    HB3  LEU  28          1HB       LEU  28  -7.413  -0.918  -1.604
  213    HG   LEU  28           HG       LEU  28  -7.145   0.934   0.801
  214   HD11  LEU  28          1HD1      LEU  28  -5.198   0.356  -1.454
  215   HD12  LEU  28          2HD1      LEU  28  -5.060  -0.197   0.218
  216   HD13  LEU  28          3HD1      LEU  28  -4.964   1.524  -0.148
  217   HD21  LEU  28          1HD2      LEU  28  -7.461   1.687  -2.123
  218   HD22  LEU  28          2HD2      LEU  28  -6.983   2.796  -0.837
  219   HD23  LEU  28          3HD2      LEU  28  -8.576   2.050  -0.802
  220    H    PHE  29           H        PHE  29  -9.783  -2.371   1.220
  221    HA   PHE  29           HA       PHE  29 -10.065  -4.661  -0.523
  222    HB2  PHE  29          2HB       PHE  29  -9.506  -4.223   2.317
  223    HB3  PHE  29          1HB       PHE  29 -10.820  -5.383   2.172
  224    HD1  PHE  29           HD1      PHE  29  -7.495  -4.634   0.631
  225    HD2  PHE  29           HD2      PHE  29 -10.222  -7.656   1.962
  226    HE1  PHE  29           HE1      PHE  29  -5.869  -6.351   0.082
  227    HE2  PHE  29           HE2      PHE  29  -8.566  -9.386   1.397
  228    HZ   PHE  29           HZ       PHE  29  -6.390  -8.735   0.450
  229    H    GLU  30           H        GLU  30 -12.180  -2.818   1.643
  230    HA   GLU  30           HA       GLU  30 -14.479  -4.435   1.432
  231    HB2  GLU  30          2HB       GLU  30 -14.116  -2.759   3.208
  232    HB3  GLU  30          1HB       GLU  30 -14.251  -1.462   2.029
  233    HG2  GLU  30          2HG       GLU  30 -16.604  -2.006   1.647
  234    HG3  GLU  30          1HG       GLU  30 -16.488  -3.396   2.724
  235    H    LEU  31           H        LEU  31 -13.304  -1.702  -0.455
  236    HA   LEU  31           HA       LEU  31 -15.636  -1.673  -2.218
  237    HB2  LEU  31          2HB       LEU  31 -13.078  -0.039  -2.355
  238    HB3  LEU  31          1HB       LEU  31 -14.547   0.252  -3.279
  239    HG   LEU  31           HG       LEU  31 -14.180   0.591  -0.278
  240   HD11  LEU  31          1HD1      LEU  31 -14.606   2.955  -0.694
  241   HD12  LEU  31          2HD1      LEU  31 -14.729   2.646  -2.429
  242   HD13  LEU  31          3HD1      LEU  31 -13.197   2.389  -1.590
  243   HD21  LEU  31          1HD2      LEU  31 -16.416  -0.294  -0.660
  244   HD22  LEU  31          2HD2      LEU  31 -16.727   0.920  -1.904
  245   HD23  LEU  31          3HD2      LEU  31 -16.520   1.410  -0.222
  246    H    ASN  32           H        ASN  32 -12.517  -3.101  -2.039
  247    HA   ASN  32           HA       ASN  32 -11.374  -4.614  -3.308
  248    HB2  ASN  32          2HB       ASN  32 -13.844  -5.520  -3.465
  249    HB3  ASN  32          1HB       ASN  32 -13.826  -4.908  -5.107
  250   HD21  ASN  32          1HD2      ASN  32 -10.966  -5.752  -5.557
  251   HD22  ASN  32          2HD2      ASN  32 -11.047  -7.464  -5.717
  252    H    ILE  33           H        ILE  33 -11.031  -1.903  -3.884
  253    HA   ILE  33           HA       ILE  33 -11.220  -1.371  -6.722
  254    HB   ILE  33           HB       ILE  33  -9.839   0.226  -4.515
  255   HG12  ILE  33          2HG1      ILE  33 -12.275  -0.000  -4.103
  256   HG13  ILE  33          1HG1      ILE  33 -11.874   1.657  -4.528
  257   HG21  ILE  33          1HG2      ILE  33 -10.586   1.049  -7.344
  258   HG22  ILE  33          2HG2      ILE  33  -8.951   0.842  -6.708
  259   HG23  ILE  33          3HG2      ILE  33  -9.978   2.140  -6.098
  260   HD11  ILE  33          1HD1      ILE  33 -13.926   0.975  -5.577
  261   HD12  ILE  33          2HD1      ILE  33 -13.128  -0.392  -6.353
  262   HD13  ILE  33          3HD1      ILE  33 -12.695   1.262  -6.803
  263    H    VAL  34           H        VAL  34  -8.520  -1.737  -4.410
  264    HA   VAL  34           HA       VAL  34  -6.582  -1.944  -6.587
  265    HB   VAL  34           HB       VAL  34  -6.042  -0.704  -4.448
  266   HG11  VAL  34          1HG1      VAL  34  -5.298  -1.914  -2.441
  267   HG12  VAL  34          2HG1      VAL  34  -5.778  -3.449  -3.170
  268   HG13  VAL  34          3HG1      VAL  34  -7.003  -2.241  -2.776
  269   HG21  VAL  34          1HG2      VAL  34  -4.245  -1.375  -5.981
  270   HG22  VAL  34          2HG2      VAL  34  -4.098  -2.926  -5.155
  271   HG23  VAL  34          3HG2      VAL  34  -3.687  -1.435  -4.306
  272    H    ASP  35           H        ASP  35  -5.620  -3.794  -7.258
  273    HA   ASP  35           HA       ASP  35  -6.441  -6.406  -6.196
  274    HB2  ASP  35          2HB       ASP  35  -6.665  -6.100  -8.615
  275    HB3  ASP  35          1HB       ASP  35  -5.007  -5.582  -8.759
  276    H    SER  36           H        SER  36  -4.708  -8.042  -6.155
  277    HA   SER  36           HA       SER  36  -2.767  -7.333  -4.231
  278    HB2  SER  36          2HB       SER  36  -3.973  -9.585  -4.497
  279    HB3  SER  36          1HB       SER  36  -2.815  -9.949  -5.777
  280    H    ALA  37           H        ALA  37  -2.653  -7.588  -7.722
  281    HA   ALA  37           HA       ALA  37   0.095  -7.933  -8.216
  282    HB1  ALA  37          1HB       ALA  37  -0.345  -6.963 -10.441
  283    HB2  ALA  37          2HB       ALA  37  -1.901  -6.342  -9.876
  284    HB3  ALA  37          3HB       ALA  37  -1.630  -8.082  -9.980
  285    H    ALA  38           H        ALA  38  -1.683  -5.079  -7.225
  286    HA   ALA  38           HA       ALA  38   0.431  -3.183  -7.800
  287    HB1  ALA  38          1HB       ALA  38  -1.078  -1.542  -6.748
  288    HB2  ALA  38          2HB       ALA  38  -2.149  -2.848  -6.240
  289    HB3  ALA  38          3HB       ALA  38  -1.926  -2.508  -7.955
  290    H    ILE  39           H        ILE  39  -0.329  -5.277  -5.122
  291    HA   ILE  39           HA       ILE  39   0.432  -3.699  -2.900
  292    HB   ILE  39           HB       ILE  39   0.514  -6.728  -3.241
  293   HG12  ILE  39          2HG1      ILE  39  -1.734  -5.830  -3.543
  294   HG13  ILE  39          1HG1      ILE  39  -1.661  -6.682  -2.009
  295   HG21  ILE  39          1HG2      ILE  39   0.706  -5.173  -0.621
  296   HG22  ILE  39          2HG2      ILE  39   1.993  -6.140  -1.353
  297   HG23  ILE  39          3HG2      ILE  39   0.523  -6.924  -0.759
  298   HD11  ILE  39          1HD1      ILE  39  -1.632  -3.688  -2.397
  299   HD12  ILE  39          2HD1      ILE  39  -1.505  -4.525  -0.844
  300   HD13  ILE  39          3HD1      ILE  39  -2.967  -4.680  -1.810
  301    H    PHE  40           H        PHE  40   2.324  -5.876  -4.961
  302    HA   PHE  40           HA       PHE  40   4.770  -5.756  -3.555
  303    HB2  PHE  40          2HB       PHE  40   4.187  -7.475  -5.282
  304    HB3  PHE  40          1HB       PHE  40   4.323  -6.244  -6.533
  305    HD1  PHE  40           HD1      PHE  40   6.549  -6.910  -3.577
  306    HD2  PHE  40           HD2      PHE  40   6.190  -6.955  -7.848
  307    HE1  PHE  40           HE1      PHE  40   8.931  -7.448  -3.780
  308    HE2  PHE  40           HE2      PHE  40   8.589  -7.499  -8.027
  309    HZ   PHE  40           HZ       PHE  40   9.956  -7.744  -5.994
  310    H    ASP  41           H        ASP  41   3.267  -3.549  -5.814
  311    HA   ASP  41           HA       ASP  41   5.617  -1.914  -6.284
  312    HB2  ASP  41          2HB       ASP  41   3.786  -2.191  -7.975
  313    HB3  ASP  41          1HB       ASP  41   2.668  -1.385  -6.883
  314    H    LEU  42           H        LEU  42   2.652  -1.742  -4.332
  315    HA   LEU  42           HA       LEU  42   2.896   0.883  -3.311
  316    HB2  LEU  42          2HB       LEU  42   1.477  -1.558  -2.166
  317    HB3  LEU  42          1HB       LEU  42   1.256   0.080  -1.563
  318    HG   LEU  42           HG       LEU  42   0.484  -0.903  -4.344
  319   HD11  LEU  42          1HD1      LEU  42  -1.835  -0.610  -3.629
  320   HD12  LEU  42          2HD1      LEU  42  -1.298  -0.156  -2.009
  321   HD13  LEU  42          3HD1      LEU  42  -0.999  -1.787  -2.617
  322   HD21  LEU  42          1HD2      LEU  42  -0.582   1.293  -4.674
  323   HD22  LEU  42          2HD2      LEU  42   1.160   1.447  -4.463
  324   HD23  LEU  42          3HD2      LEU  42   0.073   1.856  -3.132
  325    H    VAL  43           H        VAL  43   4.047  -2.231  -2.149
  326    HA   VAL  43           HA       VAL  43   4.950  -1.318   0.411
  327    HB   VAL  43           HB       VAL  43   4.281  -3.689  -0.106
  328   HG11  VAL  43          1HG1      VAL  43   5.339  -3.967  -2.291
  329   HG12  VAL  43          2HG1      VAL  43   5.884  -5.222  -1.181
  330   HG13  VAL  43          3HG1      VAL  43   6.945  -3.865  -1.560
  331   HG21  VAL  43          1HG2      VAL  43   5.528  -3.167   1.942
  332   HG22  VAL  43          2HG2      VAL  43   7.058  -3.363   1.083
  333   HG23  VAL  43          3HG2      VAL  43   5.995  -4.751   1.316
  334    H    ASP  44           H        ASP  44   6.401  -1.588  -2.799
  335    HA   ASP  44           HA       ASP  44   9.107  -1.174  -2.106
  336    HB2  ASP  44          2HB       ASP  44   7.530  -0.809  -4.643
  337    HB3  ASP  44          1HB       ASP  44   9.129  -0.068  -4.559
  338    H    PHE  45           H        PHE  45   6.432   1.015  -2.640
  339    HA   PHE  45           HA       PHE  45   7.827   3.460  -2.415
  340    HB2  PHE  45          2HB       PHE  45   5.465   3.130  -3.278
  341    HB3  PHE  45          1HB       PHE  45   4.944   2.869  -1.619
  342    HD1  PHE  45           HD1      PHE  45   6.158   5.367  -4.051
  343    HD2  PHE  45           HD2      PHE  45   4.746   4.777  -0.049
  344    HE1  PHE  45           HE1      PHE  45   5.839   7.778  -3.789
  345    HE2  PHE  45           HE2      PHE  45   4.449   7.203   0.184
  346    HZ   PHE  45           HZ       PHE  45   4.989   8.704  -1.687
  347    H    LEU  46           H        LEU  46   6.120   1.429   0.021
  348    HA   LEU  46           HA       LEU  46   6.527   3.147   2.243
  349    HB2  LEU  46          2HB       LEU  46   5.940   0.166   2.176
  350    HB3  LEU  46          1HB       LEU  46   5.810   1.177   3.608
  351    HG   LEU  46           HG       LEU  46   4.089   1.381   1.097
  352   HD11  LEU  46          1HD1      LEU  46   3.334   0.513   3.902
  353   HD12  LEU  46          2HD1      LEU  46   3.508  -0.534   2.492
  354   HD13  LEU  46          3HD1      LEU  46   2.237   0.683   2.527
  355   HD21  LEU  46          1HD2      LEU  46   3.949   3.105   3.601
  356   HD22  LEU  46          2HD2      LEU  46   2.778   3.111   2.280
  357   HD23  LEU  46          3HD2      LEU  46   4.433   3.636   1.987
  358    H    ARG  47           H        ARG  47   8.454   0.405   1.039
  359    HA   ARG  47           HA       ARG  47  10.221   0.251   3.316
  360    HB2  ARG  47          2HB       ARG  47  11.230  -1.592   2.226
  361    HB3  ARG  47          1HB       ARG  47   9.604  -1.629   1.552
  362    HG2  ARG  47          2HG       ARG  47  10.717  -0.152  -0.362
  363    HG3  ARG  47          1HG       ARG  47  12.199  -0.874   0.226
  364    HD2  ARG  47          2HD       ARG  47   9.774  -2.441  -0.697
  365    HD3  ARG  47          1HD       ARG  47  11.155  -2.056  -1.721
  366    HE   ARG  47           HE       ARG  47  12.174  -3.370   0.493
  367   HH11  ARG  47          1HH1      ARG  47  10.007  -4.079  -2.186
  368   HH12  ARG  47          2HH1      ARG  47  10.387  -5.774  -2.198
  369   HH21  ARG  47          1HH2      ARG  47  12.640  -5.617   0.477
  370   HH22  ARG  47          2HH2      ARG  47  11.868  -6.647  -0.700
  371    H    GLN  48           H        GLN  48  10.055   2.129   0.415
  372    HA   GLN  48           HA       GLN  48  12.808   2.999   0.340
  373    HB2  GLN  48          2HB       GLN  48  11.334   2.870  -1.662
  374    HB3  GLN  48          1HB       GLN  48  10.299   4.118  -0.983
  375    HG2  GLN  48          2HG       GLN  48  12.127   5.759  -1.175
  376    HG3  GLN  48          1HG       GLN  48  13.204   4.497  -1.780
  377   HE21  GLN  48          1HE2      GLN  48   9.802   4.811  -2.690
  378   HE22  GLN  48          2HE2      GLN  48  10.096   5.233  -4.331
  379    H    GLU  49           H        GLU  49   9.672   4.473   1.276
  380    HA   GLU  49           HA       GLU  49  10.727   6.991   2.048
  381    HB2  GLU  49          2HB       GLU  49   8.052   5.714   2.774
  382    HB3  GLU  49          1HB       GLU  49   8.448   7.418   2.985
  383    HG2  GLU  49          2HG       GLU  49   8.210   5.928   0.353
  384    HG3  GLU  49          1HG       GLU  49   7.075   7.108   0.994
  385    H    SER  50           H        SER  50   9.567   4.241   4.015
  386    HA   SER  50           HA       SER  50  10.257   5.519   6.519
  387    HB2  SER  50          2HB       SER  50   8.265   4.112   6.384
  388    HB3  SER  50          1HB       SER  50   9.229   2.715   5.922
  389    HG   SER  50           HG       SER  50   9.861   4.015   8.311
  390    H    LYS  51           H        LYS  51  12.140   3.993   4.249
  391    HA   LYS  51           HA       LYS  51  14.223   3.189   4.094
  392    HB2  LYS  51          2HB       LYS  51  14.695   4.150   6.945
  393    HB3  LYS  51          1HB       LYS  51  15.902   3.903   5.695
  394    HG2  LYS  51          2HG       LYS  51  13.781   6.078   5.753
  395    HG3  LYS  51          1HG       LYS  51  15.506   6.290   6.031
  396    HD2  LYS  51          2HD       LYS  51  14.216   5.437   3.409
  397    HD3  LYS  51          1HD       LYS  51  14.834   7.046   3.767
  398    HE2  LYS  51          2HE       LYS  51  17.129   6.146   3.921
  399    HE3  LYS  51          1HE       LYS  51  16.522   4.513   3.625
  400    HZ1  LYS  51          1HZ       LYS  51  16.339   6.800   1.749
  401    HZ2  LYS  51          2HZ       LYS  51  15.751   5.243   1.463
  402    HZ3  LYS  51          3HZ       LYS  51  17.410   5.499   1.634
  403    H    VAL  52           H        VAL  52  12.831   1.210   4.207
  404    HA   VAL  52           HA       VAL  52  13.668  -0.693   6.316
  405    HB   VAL  52           HB       VAL  52  10.990  -0.921   4.856
  406   HG11  VAL  52          1HG1      VAL  52  10.360  -2.354   6.736
  407   HG12  VAL  52          2HG1      VAL  52  11.905  -2.052   7.534
  408   HG13  VAL  52          3HG1      VAL  52  11.854  -2.944   6.006
  409   HG21  VAL  52          1HG2      VAL  52  10.868   1.252   5.933
  410   HG22  VAL  52          2HG2      VAL  52  11.412   0.567   7.464
  411   HG23  VAL  52          3HG2      VAL  52   9.847   0.100   6.796
  412    H    SER  53           H        SER  53  14.362  -2.668   5.551
  413    HA   SER  53           HA       SER  53  13.707  -3.450   2.761
  414    HB2  SER  53          2HB       SER  53  15.734  -4.737   4.677
  415    HB3  SER  53          1HB       SER  53  15.507  -5.087   2.965
  416    HG   SER  53           HG       SER  53  15.978  -2.435   3.507
  417    H    ILE  54           H        ILE  54  11.758  -4.448   2.815
  418    HA   ILE  54           HA       ILE  54  10.905  -6.033   5.166
  419    HB   ILE  54           HB       ILE  54   9.360  -4.261   4.406
  420   HG12  ILE  54          2HG1      ILE  54   8.247  -7.067   3.907
  421   HG13  ILE  54          1HG1      ILE  54   8.380  -6.288   5.474
  422   HG21  ILE  54          1HG2      ILE  54   8.221  -4.331   2.245
  423   HG22  ILE  54          2HG2      ILE  54   9.130  -5.763   1.775
  424   HG23  ILE  54          3HG2      ILE  54   9.965  -4.221   2.004
  425   HD11  ILE  54          1HD1      ILE  54   6.583  -5.418   3.213
  426   HD12  ILE  54          2HD1      ILE  54   6.680  -4.667   4.810
  427   HD13  ILE  54          3HD1      ILE  54   6.105  -6.328   4.643
  428    H    GLY  55           H        GLY  55  10.197  -8.221   4.953
  429    HA2  GLY  55          2HA       GLY  55  11.264  -9.724   2.677
  430    HA3  GLY  55          1HA       GLY  55  10.589 -10.384   4.160
  431    H    MET  56           H        MET  56  10.013 -11.214   1.452
  432    HA   MET  56           HA       MET  56   7.658 -10.166   0.324
  433    HB2  MET  56          2HB       MET  56   8.869 -12.951   0.069
  434    HB3  MET  56          1HB       MET  56   7.584 -12.329  -0.967
  435    HG2  MET  56          2HG       MET  56  10.415 -11.267  -0.761
  436    HG3  MET  56          1HG       MET  56   9.710 -12.138  -2.121
  437    HE1  MET  56          1HE       MET  56   6.742 -10.681  -2.149
  438    HE2  MET  56          2HE       MET  56   7.648 -11.042  -3.620
  439    HE3  MET  56          3HE       MET  56   7.041  -9.414  -3.337
  440    H    GLN  57           H        GLN  57   8.067 -12.322   2.980
  441    HA   GLN  57           HA       GLN  57   5.598 -13.755   2.844
  442    HB2  GLN  57          2HB       GLN  57   7.454 -13.316   5.230
  443    HB3  GLN  57          1HB       GLN  57   6.237 -14.583   5.085
  444    HG2  GLN  57          2HG       GLN  57   7.485 -15.650   3.292
  445    HG3  GLN  57          1HG       GLN  57   8.658 -14.334   3.263
  446   HE21  GLN  57          1HE2      GLN  57  10.159 -14.173   4.982
  447   HE22  GLN  57          2HE2      GLN  57  10.500 -15.518   6.006
  448    H    GLU  58           H        GLU  58   6.671 -10.752   4.389
  449    HA   GLU  58           HA       GLU  58   4.216 -10.307   5.890
  450    HB2  GLU  58          2HB       GLU  58   6.596  -8.466   5.329
  451    HB3  GLU  58          1HB       GLU  58   5.274  -8.104   6.430
  452    HG2  GLU  58          2HG       GLU  58   7.141  -8.786   7.757
  453    HG3  GLU  58          1HG       GLU  58   5.940 -10.076   7.804
  454    H    ILE  59           H        ILE  59   5.562  -9.482   2.761
  455    HA   ILE  59           HA       ILE  59   3.742  -7.365   2.105
  456    HB   ILE  59           HB       ILE  59   5.270  -9.111   0.130
  457   HG12  ILE  59          2HG1      ILE  59   6.209  -6.527   1.472
  458   HG13  ILE  59          1HG1      ILE  59   6.866  -8.133   1.770
  459   HG21  ILE  59          1HG2      ILE  59   4.174  -6.278  -0.136
  460   HG22  ILE  59          2HG2      ILE  59   3.467  -7.729  -0.854
  461   HG23  ILE  59          3HG2      ILE  59   5.054  -7.174  -1.381
  462   HD11  ILE  59          1HD1      ILE  59   8.297  -6.818   0.308
  463   HD12  ILE  59          2HD1      ILE  59   6.973  -6.646  -0.848
  464   HD13  ILE  59          3HD1      ILE  59   7.671  -8.238  -0.529
  465    H    HIS  60           H        HIS  60   1.724  -8.360   2.750
  466    HA   HIS  60           HA       HIS  60   0.467  -9.763   0.515
  467    HB2  HIS  60          2HB       HIS  60  -0.815 -11.255   2.083
  468    HB3  HIS  60          1HB       HIS  60   0.900 -11.619   1.974
  469    HD1  HIS  60           HD1      HIS  60   2.269 -11.485   4.106
  470    HD2  HIS  60           HD2      HIS  60  -1.632 -10.164   4.568
  471    HE1  HIS  60           HE1      HIS  60   1.937 -11.262   6.586
  472    HE2  HIS  60           HE2      HIS  60  -0.430 -10.423   6.842
  473    HA   PRO  61           HA       PRO  61  -2.249  -6.481   0.600
  474    HB2  PRO  61          2HB       PRO  61  -4.635  -7.548  -0.347
  475    HB3  PRO  61          1HB       PRO  61  -3.195  -7.317  -1.350
  476    HG2  PRO  61          2HG       PRO  61  -4.128  -9.810   0.041
  477    HG3  PRO  61          1HG       PRO  61  -3.566  -9.599  -1.637
  478    HD2  PRO  61          2HD       PRO  61  -1.914 -10.563   0.243
  479    HD3  PRO  61          1HD       PRO  61  -1.308  -9.449  -1.001
  480    H    ALA  62           H        ALA  62  -3.250  -9.100   2.688
  481    HA   ALA  62           HA       ALA  62  -5.554  -8.100   3.929
  482    HB1  ALA  62          1HB       ALA  62  -4.953  -9.530   5.848
  483    HB2  ALA  62          2HB       ALA  62  -3.305  -9.678   5.226
  484    HB3  ALA  62          3HB       ALA  62  -4.650 -10.368   4.322
  485    H    ASN  63           H        ASN  63  -2.168  -7.325   4.476
  486    HA   ASN  63           HA       ASN  63  -2.640  -5.598   6.771
  487    HB2  ASN  63          2HB       ASN  63  -0.114  -6.233   5.172
  488    HB3  ASN  63          1HB       ASN  63  -0.155  -5.262   6.645
  489   HD21  ASN  63          1HD2      ASN  63   1.273  -6.733   7.645
  490   HD22  ASN  63          2HD2      ASN  63   0.744  -8.268   8.224
  491    H    PHE  64           H        PHE  64  -2.273  -5.333   3.317
  492    HA   PHE  64           HA       PHE  64  -1.866  -2.418   3.370
  493    HB2  PHE  64          2HB       PHE  64  -1.767  -4.443   1.082
  494    HB3  PHE  64          1HB       PHE  64  -1.479  -2.714   0.899
  495    HD1  PHE  64           HD1      PHE  64  -0.194  -5.793   2.549
  496    HD2  PHE  64           HD2      PHE  64   0.702  -1.792   1.331
  497    HE1  PHE  64           HE1      PHE  64   2.173  -6.176   3.066
  498    HE2  PHE  64           HE2      PHE  64   3.076  -2.183   1.853
  499    HZ   PHE  64           HZ       PHE  64   3.808  -4.373   2.717
  500    H    ALA  65           H        ALA  65  -4.443  -4.012   3.953
  501    HA   ALA  65           HA       ALA  65  -6.414  -3.529   2.007
  502    HB1  ALA  65          1HB       ALA  65  -6.724  -3.714   5.024
  503    HB2  ALA  65          2HB       ALA  65  -6.680  -5.077   3.904
  504    HB3  ALA  65          3HB       ALA  65  -8.013  -3.922   3.834
  505    H    THR  66           H        THR  66  -5.084  -1.464   4.521
  506    HA   THR  66           HA       THR  66  -6.367   0.952   3.441
  507    HB   THR  66           HB       THR  66  -6.844   1.767   5.820
  508    HG1  THR  66           HG1      THR  66  -6.991  -0.840   6.775
  509   HG21  THR  66          1HG2      THR  66  -8.983   0.576   6.155
  510   HG22  THR  66          2HG2      THR  66  -8.487  -0.671   5.013
  511   HG23  THR  66          3HG2      THR  66  -8.759   0.978   4.448
  512    H    VAL  67           H        VAL  67  -5.196   2.972   4.336
  513    HA   VAL  67           HA       VAL  67  -2.385   2.598   4.400
  514    HB   VAL  67           HB       VAL  67  -3.440   4.805   3.756
  515   HG11  VAL  67          1HG1      VAL  67  -3.946   6.502   5.476
  516   HG12  VAL  67          2HG1      VAL  67  -3.704   5.308   6.751
  517   HG13  VAL  67          3HG1      VAL  67  -5.041   5.124   5.613
  518   HG21  VAL  67          1HG2      VAL  67  -1.587   6.192   4.634
  519   HG22  VAL  67          2HG2      VAL  67  -1.007   4.605   4.124
  520   HG23  VAL  67          3HG2      VAL  67  -1.224   4.956   5.841
  521    H    GLN  68           H        GLN  68  -4.763   3.027   6.994
  522    HA   GLN  68           HA       GLN  68  -2.985   3.486   9.124
  523    HB2  GLN  68          2HB       GLN  68  -4.961   2.840  10.573
  524    HB3  GLN  68          1HB       GLN  68  -5.336   4.061   9.361
  525    HG2  GLN  68          2HG       GLN  68  -6.423   2.412   7.949
  526    HG3  GLN  68          1HG       GLN  68  -5.930   1.101   9.023
  527   HE21  GLN  68          1HE2      GLN  68  -8.067   0.444   9.280
  528   HE22  GLN  68          2HE2      GLN  68  -9.217   1.343  10.206
  529    H    SER  69           H        SER  69  -4.129   0.520   7.638
  530    HA   SER  69           HA       SER  69  -3.025  -1.229   9.650
  531    HB2  SER  69          2HB       SER  69  -5.069  -1.798   8.321
  532    HB3  SER  69          1HB       SER  69  -4.072  -1.895   6.869
  533    HG   SER  69           HG       SER  69  -3.043  -3.664   7.692
  534    H    MET  70           H        MET  70  -2.061  -0.081   6.379
  535    HA   MET  70           HA       MET  70   0.145  -1.931   6.151
  536    HB2  MET  70          2HB       MET  70   0.596  -1.004   4.004
  537    HB3  MET  70          1HB       MET  70  -1.153  -1.014   4.162
  538    HG2  MET  70          2HG       MET  70  -1.142   1.386   4.625
  539    HG3  MET  70          1HG       MET  70   0.617   1.413   4.538
  540    HE1  MET  70          1HE       MET  70  -2.142   0.687   0.884
  541    HE2  MET  70          2HE       MET  70  -2.739   1.025   2.510
  542    HE3  MET  70          3HE       MET  70  -1.971  -0.522   2.155
  543    H    VAL  71           H        VAL  71  -0.181   1.453   7.143
  544    HA   VAL  71           HA       VAL  71   2.623   2.054   7.026
  545    HB   VAL  71           HB       VAL  71   0.776   3.801   6.795
  546   HG11  VAL  71          1HG1      VAL  71  -0.657   3.183   8.699
  547   HG12  VAL  71          2HG1      VAL  71  -0.168   4.875   8.789
  548   HG13  VAL  71          3HG1      VAL  71   0.614   3.678   9.818
  549   HG21  VAL  71          1HG2      VAL  71   3.127   4.465   7.037
  550   HG22  VAL  71          2HG2      VAL  71   2.991   4.391   8.796
  551   HG23  VAL  71          3HG2      VAL  71   2.087   5.606   7.891
  552    H    ALA  72           H        ALA  72   0.265   1.121   9.463
  553    HA   ALA  72           HA       ALA  72   1.961   1.372  11.739
  554    HB1  ALA  72          1HB       ALA  72  -0.489   1.469  11.919
  555    HB2  ALA  72          2HB       ALA  72   0.169   0.186  12.937
  556    HB3  ALA  72          3HB       ALA  72  -0.606  -0.215  11.402
  557    H    LEU  73           H        LEU  73   1.179  -1.263   9.469
  558    HA   LEU  73           HA       LEU  73   2.393  -3.450  10.708
  559    HB2  LEU  73          2HB       LEU  73   1.201  -4.065   8.786
  560    HB3  LEU  73          1HB       LEU  73   1.675  -2.623   7.908
  561    HG   LEU  73           HG       LEU  73   3.990  -3.694   7.664
  562   HD11  LEU  73          1HD1      LEU  73   3.844  -5.413   9.370
  563   HD12  LEU  73          2HD1      LEU  73   4.147  -6.143   7.795
  564   HD13  LEU  73          3HD1      LEU  73   2.529  -6.216   8.499
  565   HD21  LEU  73          1HD2      LEU  73   2.400  -3.467   5.824
  566   HD22  LEU  73          2HD2      LEU  73   1.686  -5.026   6.234
  567   HD23  LEU  73          3HD2      LEU  73   3.357  -4.941   5.678
  568    H    VAL  74           H        VAL  74   3.674  -1.019   8.466
  569    HA   VAL  74           HA       VAL  74   6.338  -1.863   8.370
  570    HB   VAL  74           HB       VAL  74   5.205   0.947   7.983
  571   HG11  VAL  74          1HG1      VAL  74   7.964  -0.099   7.221
  572   HG12  VAL  74          2HG1      VAL  74   7.615   1.102   8.465
  573   HG13  VAL  74          3HG1      VAL  74   7.311   1.480   6.770
  574   HG21  VAL  74          1HG2      VAL  74   5.931  -1.173   5.910
  575   HG22  VAL  74          2HG2      VAL  74   5.356   0.456   5.546
  576   HG23  VAL  74          3HG2      VAL  74   4.296  -0.692   6.365
  577    H    GLN  75           H        GLN  75   4.741   0.507  10.560
  578    HA   GLN  75           HA       GLN  75   7.147   1.298  11.894
  579    HB2  GLN  75          2HB       GLN  75   4.304   1.524  12.977
  580    HB3  GLN  75          1HB       GLN  75   5.707   2.450  13.501
  581    HG2  GLN  75          2HG       GLN  75   4.249   2.643  10.868
  582    HG3  GLN  75          1HG       GLN  75   4.342   3.863  12.123
  583   HE21  GLN  75          1HE2      GLN  75   5.020   4.014   9.270
  584   HE22  GLN  75          2HE2      GLN  75   6.667   4.530   9.193
  585    H    ARG  76           H        ARG  76   4.936  -1.392  12.376
  586    HA   ARG  76           HA       ARG  76   5.800  -2.121  15.014
  587    HB2  ARG  76          2HB       ARG  76   4.330  -3.665  12.838
  588    HB3  ARG  76          1HB       ARG  76   4.688  -4.351  14.421
  589    HG2  ARG  76          2HG       ARG  76   3.299  -2.697  15.526
  590    HG3  ARG  76          1HG       ARG  76   3.052  -1.829  14.011
  591    HD2  ARG  76          2HD       ARG  76   1.063  -3.114  14.511
  592    HD3  ARG  76          1HD       ARG  76   1.860  -3.830  13.110
  593    HE   ARG  76           HE       ARG  76   2.495  -5.678  14.408
  594   HH11  ARG  76          1HH1      ARG  76   0.586  -3.447  16.346
  595   HH12  ARG  76          2HH1      ARG  76   0.243  -4.635  17.570
  596   HH21  ARG  76          1HH2      ARG  76   1.986  -7.222  15.995
  597   HH22  ARG  76          2HH2      ARG  76   1.030  -6.755  17.373
  598    H    LEU  77           H        LEU  77   6.588  -3.345  11.702
  599    HA   LEU  77           HA       LEU  77   8.502  -5.252  12.656
  600    HB2  LEU  77          2HB       LEU  77   9.091  -5.591  10.260
  601    HB3  LEU  77          1HB       LEU  77   7.392  -5.772  10.632
  602    HG   LEU  77           HG       LEU  77   7.043  -3.428   9.677
  603   HD11  LEU  77          1HD1      LEU  77   9.862  -3.788   8.628
  604   HD12  LEU  77          2HD1      LEU  77   9.277  -2.521   9.722
  605   HD13  LEU  77          3HD1      LEU  77   8.703  -2.583   8.053
  606   HD21  LEU  77          1HD2      LEU  77   7.981  -5.619   7.804
  607   HD22  LEU  77          2HD2      LEU  77   6.985  -4.230   7.350
  608   HD23  LEU  77          3HD2      LEU  77   6.363  -5.424   8.486
  609    H    LYS  78           H        LYS  78   8.732  -1.878  12.000
  610    HA   LYS  78           HA       LYS  78  11.479  -1.476  11.584
  611    HB2  LYS  78          2HB       LYS  78   9.419   0.165  13.098
  612    HB3  LYS  78          1HB       LYS  78  11.057   0.737  12.851
  613    HG2  LYS  78          2HG       LYS  78   9.062   0.110  10.668
  614    HG3  LYS  78          1HG       LYS  78   9.431   1.723  11.260
  615    HD2  LYS  78          2HD       LYS  78  11.479  -0.123   9.975
  616    HD3  LYS  78          1HD       LYS  78  10.539   1.071   9.083
  617    HE2  LYS  78          2HE       LYS  78  11.530   2.868  10.463
  618    HE3  LYS  78          1HE       LYS  78  12.494   1.662  11.323
  619    HZ1  LYS  78          1HZ       LYS  78  13.727   2.788   9.554
  620    HZ2  LYS  78          2HZ       LYS  78  12.642   2.188   8.409
  621    HZ3  LYS  78          3HZ       LYS  78  13.616   1.125   9.282
  622    H    ALA  79           H        ALA  79   9.666  -2.217  14.524
  623    HA   ALA  79           HA       ALA  79  11.834  -1.820  16.366
  624    HB1  ALA  79          1HB       ALA  79   9.192  -3.301  16.738
  625    HB2  ALA  79          2HB       ALA  79   9.485  -1.596  17.091
  626    HB3  ALA  79          3HB       ALA  79  10.311  -2.841  18.027
  627    H    HIS  80           H        HIS  80  10.785  -4.411  14.297
  628    HA   HIS  80           HA       HIS  80  12.166  -6.542  15.734
  629    HB2  HIS  80          2HB       HIS  80  10.664  -6.534  13.075
  630    HB3  HIS  80          1HB       HIS  80  11.412  -7.969  13.775
  631    HD1  HIS  80           HD1      HIS  80   9.743  -9.385  14.939
  632    HD2  HIS  80           HD2      HIS  80   8.746  -5.370  15.176
  633    HE1  HIS  80           HE1      HIS  80   7.555  -9.305  16.164
  634    HE2  HIS  80           HE2      HIS  80   7.007  -6.853  16.340
  635    HA   PRO  81           HA       PRO  81  16.089  -5.889  13.607
  636    HB2  PRO  81          2HB       PRO  81  16.695  -8.780  14.069
  637    HB3  PRO  81          1HB       PRO  81  17.494  -7.344  14.739
  638    HG2  PRO  81          2HG       PRO  81  15.982  -8.934  16.281
  639    HG3  PRO  81          1HG       PRO  81  16.030  -7.172  16.527
  640    HD2  PRO  81          2HD       PRO  81  13.915  -8.810  15.101
  641    HD3  PRO  81          1HD       PRO  81  13.715  -7.494  16.286
  642    H    GLU  82           H        GLU  82  14.218  -8.777  12.904
  643    HA   GLU  82           HA       GLU  82  14.146  -8.367  10.086
  644    HB2  GLU  82          2HB       GLU  82  16.422  -9.439  10.353
  645    HB3  GLU  82          1HB       GLU  82  15.653 -10.847  11.082
  646    HG2  GLU  82          2HG       GLU  82  14.441 -11.296   8.981
  647    HG3  GLU  82          1HG       GLU  82  15.140  -9.844   8.256
  648    H    GLN  83           H        GLN  83  12.314  -9.337   9.325
  649    HA   GLN  83           HA       GLN  83  10.468 -10.404  11.278
  650    HB2  GLN  83          2HB       GLN  83  10.258  -9.619   8.364
  651    HB3  GLN  83          1HB       GLN  83   8.912 -10.378   9.204
  652    HG2  GLN  83          2HG       GLN  83  10.229  -7.883  10.303
  653    HG3  GLN  83          1HG       GLN  83   8.956  -7.797   9.076
  654   HE21  GLN  83          1HE2      GLN  83   6.841  -8.390   9.647
  655   HE22  GLN  83          2HE2      GLN  83   6.343  -8.561  11.290
  656    H    GLY  84           H        GLY  84  11.508 -11.599   8.064
  657    HA2  GLY  84          2HA       GLY  84  11.697 -14.348   9.059
  658    HA3  GLY  84          1HA       GLY  84  10.472 -14.052   7.824
  659    H    GLY  85           H        GLY  85  12.311 -15.842   7.183
  660    HA2  GLY  85          2HA       GLY  85  14.510 -14.665   5.658
  661    HA3  GLY  85          1HA       GLY  85  14.079 -16.368   5.774
  662    H    ALA  86           H        ALA  86  13.356 -17.223   3.927
  663    HA   ALA  86           HA       ALA  86  11.386 -16.002   2.252
  664    HB1  ALA  86          1HB       ALA  86  14.202 -16.210   1.094
  665    HB2  ALA  86          2HB       ALA  86  13.352 -14.709   1.465
  666    HB3  ALA  86          3HB       ALA  86  12.743 -15.773   0.196
  667    H    ALA  87           H        ALA  87  10.808 -17.379   0.435
  668    HA   ALA  87           HA       ALA  87  11.245 -20.228   0.875
  669    HB1  ALA  87          1HB       ALA  87   9.608 -20.524  -0.954
  670    HB2  ALA  87          2HB       ALA  87   9.606 -18.779  -1.242
  671    HB3  ALA  87          3HB       ALA  87   8.995 -19.423   0.282
  672    H    LEU  88           H        LEU  88  12.127 -21.623  -0.767
  673    HA   LEU  88           HA       LEU  88  14.478 -20.802  -2.076
  674    HB2  LEU  88          2HB       LEU  88  13.759 -23.157  -1.319
  675    HB3  LEU  88          1HB       LEU  88  12.787 -23.251  -2.770
  676    HG   LEU  88           HG       LEU  88  14.951 -24.479  -2.917
  677   HD11  LEU  88          1HD1      LEU  88  14.816 -22.240  -4.937
  678   HD12  LEU  88          2HD1      LEU  88  13.900 -23.746  -4.992
  679   HD13  LEU  88          3HD1      LEU  88  15.655 -23.784  -5.122
  680   HD21  LEU  88          1HD2      LEU  88  16.348 -23.029  -1.538
  681   HD22  LEU  88          2HD2      LEU  88  16.289 -21.763  -2.770
  682   HD23  LEU  88          3HD2      LEU  88  17.086 -23.302  -3.115
  683    H    GLU  89           H        GLU  89  14.337 -19.209  -3.588
  684    HA   GLU  89           HA       GLU  89  12.206 -19.304  -5.651
  685    HB2  GLU  89          2HB       GLU  89  12.124 -17.383  -3.990
  686    HB3  GLU  89          1HB       GLU  89  13.679 -16.838  -4.609
  687    HG2  GLU  89          2HG       GLU  89  11.844 -15.535  -5.583
  688    HG3  GLU  89          1HG       GLU  89  12.677 -16.463  -6.831
  689   H282  PNS 101          3H28      PNS 136   0.707  -9.395  -3.078
  690   H281  PNS 101          2H28      PNS 136   1.257  -8.760  -4.629
  691   H303  PNS 101          3H51      PNS 136   4.412  -9.634  -2.977
  692   H302  PNS 101          2H51      PNS 136   3.539  -8.367  -3.833
  693   H301  PNS 101          1H51      PNS 136   3.001  -8.875  -2.226
  694   H313  PNS 101          3H52      PNS 136   2.497 -11.459  -5.607
  695   H312  PNS 101          2H52      PNS 136   4.110 -11.188  -4.960
  696   H311  PNS 101          1H52      PNS 136   3.259  -9.875  -5.797
  697    H32  PNS 101           H32      PNS 136   1.948 -11.207  -1.934
  698    H33  PNS 101           H33      PNS 136   0.720 -12.209  -3.557
  699    H36  PNS 101           H36      PNS 136   3.241 -13.815  -3.475
  700   H372  PNS 101          3H37      PNS 136   5.442 -14.213  -1.727
  701   H371  PNS 101          2H37      PNS 136   4.953 -15.244  -3.068
  702   H382  PNS 101          3H38      PNS 136   6.690 -12.753  -3.224
  703   H381  PNS 101          2H38      PNS 136   7.234 -14.415  -3.445
  704    H41  PNS 101           H41      PNS 136   6.834 -11.768  -5.118
  705   H422  PNS 101          3H42      PNS 136   5.198 -12.242  -7.337
  706   H421  PNS 101          2H42      PNS 136   6.802 -12.889  -7.687
  707   H431  PNS 101          2H43      PNS 136   6.184 -10.027  -6.866
  708   H432  PNS 101          3H43      PNS 136   7.796 -10.675  -7.218
  709    H44  PNS 101           H44      PNS 136   6.933  -9.201  -9.439
  Start of MODEL   12
    1    H1   MET   1          1H        MET   1   2.252  15.598   3.183
    2    H2   MET   1          2H        MET   1   3.353  14.443   2.632
    3    H3   MET   1          3H        MET   1   1.701  14.200   2.411
    4    HA   MET   1           HA       MET   1   1.544  16.021   0.904
    5    HB2  MET   1          2HB       MET   1   3.541  17.304   0.214
    6    HB3  MET   1          1HB       MET   1   3.257  17.459   1.941
    7    HG2  MET   1          2HG       MET   1   5.036  15.816   2.383
    8    HG3  MET   1          1HG       MET   1   5.313  15.661   0.648
    9    HE1  MET   1          1HE       MET   1   5.588  18.092   3.774
   10    HE2  MET   1          2HE       MET   1   4.534  19.002   2.688
   11    HE3  MET   1          3HE       MET   1   6.178  19.560   3.000
   12    H    LEU   2           H        LEU   2   2.693  13.056   1.200
   13    HA   LEU   2           HA       LEU   2   3.226  12.658  -1.675
   14    HB2  LEU   2          2HB       LEU   2   4.969  11.009  -1.199
   15    HB3  LEU   2          1HB       LEU   2   5.403  12.570  -0.541
   16    HG   LEU   2           HG       LEU   2   4.304  10.309   1.189
   17   HD11  LEU   2          1HD1      LEU   2   7.223  11.013   0.754
   18   HD12  LEU   2          2HD1      LEU   2   6.404   9.579   0.137
   19   HD13  LEU   2          3HD1      LEU   2   6.582   9.804   1.872
   20   HD21  LEU   2          1HD2      LEU   2   4.076  12.553   2.184
   21   HD22  LEU   2          2HD2      LEU   2   5.803  12.842   1.966
   22   HD23  LEU   2          3HD2      LEU   2   5.248  11.584   3.075
   23    H    GLU   3           H        GLU   3   0.992  12.258   0.477
   24    HA   GLU   3           HA       GLU   3   0.366   9.447   0.389
   25    HB2  GLU   3          2HB       GLU   3  -1.461  11.800   1.065
   26    HB3  GLU   3          1HB       GLU   3  -1.818  10.101   1.360
   27    HG2  GLU   3          2HG       GLU   3  -1.172  11.004   3.459
   28    HG3  GLU   3          1HG       GLU   3   0.194  10.043   2.901
   29    H    SER   4           H        SER   4  -0.697  12.362  -1.283
   30    HA   SER   4           HA       SER   4  -2.506  11.172  -3.093
   31    HB2  SER   4          2HB       SER   4  -2.178  13.314  -4.378
   32    HB3  SER   4          1HB       SER   4  -2.551  13.562  -2.671
   33    HG   SER   4           HG       SER   4  -0.765  14.597  -2.530
   34    H    LYS   5           H        LYS   5   1.002  11.428  -3.058
   35    HA   LYS   5           HA       LYS   5   1.408  10.990  -5.864
   36    HB2  LYS   5          2HB       LYS   5   2.970  12.148  -4.086
   37    HB3  LYS   5          1HB       LYS   5   3.526  10.523  -3.727
   38    HG2  LYS   5          2HG       LYS   5   3.635  11.759  -6.500
   39    HG3  LYS   5          1HG       LYS   5   4.957  11.878  -5.343
   40    HD2  LYS   5          2HD       LYS   5   3.840   9.250  -6.398
   41    HD3  LYS   5          1HD       LYS   5   5.245  10.073  -7.079
   42    HE2  LYS   5          2HE       LYS   5   5.039   9.122  -4.210
   43    HE3  LYS   5          1HE       LYS   5   5.812   8.216  -5.506
   44    HZ1  LYS   5          1HZ       LYS   5   7.396   9.468  -4.153
   45    HZ2  LYS   5          2HZ       LYS   5   6.648  10.914  -4.598
   46    HZ3  LYS   5          3HZ       LYS   5   7.419   9.974  -5.766
   47    H    LEU   6           H        LEU   6   1.556   8.901  -2.924
   48    HA   LEU   6           HA       LEU   6   2.408   6.551  -4.265
   49    HB2  LEU   6          2HB       LEU   6   1.903   5.322  -2.234
   50    HB3  LEU   6          1HB       LEU   6   2.735   6.815  -1.870
   51    HG   LEU   6           HG       LEU   6   0.233   7.686  -1.398
   52   HD11  LEU   6          1HD1      LEU   6  -1.182   5.977  -0.342
   53   HD12  LEU   6          2HD1      LEU   6  -0.035   4.722  -0.818
   54   HD13  LEU   6          3HD1      LEU   6  -0.911   5.631  -2.050
   55   HD21  LEU   6          1HD2      LEU   6   2.065   7.743   0.226
   56   HD22  LEU   6          2HD2      LEU   6   1.804   6.039   0.609
   57   HD23  LEU   6          3HD2      LEU   6   0.560   7.234   0.990
   58    H    ILE   7           H        ILE   7  -0.798   7.886  -3.585
   59    HA   ILE   7           HA       ILE   7  -2.324   5.705  -4.610
   60    HB   ILE   7           HB       ILE   7  -2.998   8.663  -4.376
   61   HG12  ILE   7          2HG1      ILE   7  -3.834   6.342  -2.578
   62   HG13  ILE   7          1HG1      ILE   7  -2.527   7.467  -2.214
   63   HG21  ILE   7          1HG2      ILE   7  -4.906   6.360  -4.943
   64   HG22  ILE   7          2HG2      ILE   7  -4.459   7.637  -6.076
   65   HG23  ILE   7          3HG2      ILE   7  -5.384   8.030  -4.622
   66   HD11  ILE   7          1HD1      ILE   7  -4.542   8.053  -1.009
   67   HD12  ILE   7          2HD1      ILE   7  -5.442   8.182  -2.520
   68   HD13  ILE   7          3HD1      ILE   7  -4.132   9.316  -2.171
   69    H    ASN   8           H        ASN   8  -1.338   8.832  -6.040
   70    HA   ASN   8           HA       ASN   8  -2.547   8.554  -8.537
   71    HB2  ASN   8          2HB       ASN   8  -1.717  10.701  -7.590
   72    HB3  ASN   8          1HB       ASN   8  -0.058  10.173  -7.845
   73   HD21  ASN   8          1HD2      ASN   8   0.773  10.163  -9.957
   74   HD22  ASN   8          2HD2      ASN   8  -0.018  10.964 -11.265
   75    H    HIS   9           H        HIS   9   0.499   7.334  -7.369
   76    HA   HIS   9           HA       HIS   9   1.903   6.728  -9.673
   77    HB2  HIS   9          2HB       HIS   9   2.793   6.469  -7.377
   78    HB3  HIS   9          1HB       HIS   9   1.706   5.115  -7.089
   79    HD1  HIS   9           HD1      HIS   9   5.092   5.853  -8.129
   80    HD2  HIS   9           HD2      HIS   9   2.359   2.839  -8.927
   81    HE1  HIS   9           HE1      HIS   9   6.454   3.884  -8.876
   82    HE2  HIS   9           HE2      HIS   9   4.784   2.019  -9.108
   83    H    ILE  10           H        ILE  10  -0.147   4.324  -7.892
   84    HA   ILE  10           HA       ILE  10  -0.310   2.645 -10.251
   85    HB   ILE  10           HB       ILE  10  -1.860   1.211  -8.770
   86   HG12  ILE  10          2HG1      ILE  10  -1.451   1.587  -6.232
   87   HG13  ILE  10          1HG1      ILE  10  -0.947   3.212  -6.645
   88   HG21  ILE  10          1HG2      ILE  10   1.014   1.635  -7.881
   89   HG22  ILE  10          2HG2      ILE  10   0.469   0.610  -9.209
   90   HG23  ILE  10          3HG2      ILE  10   0.041   0.198  -7.548
   91   HD11  ILE  10          1HD1      ILE  10  -3.670   2.020  -7.120
   92   HD12  ILE  10          2HD1      ILE  10  -3.171   3.668  -7.506
   93   HD13  ILE  10          3HD1      ILE  10  -3.218   3.133  -5.828
   94    H    ALA  11           H        ALA  11  -2.286   5.124  -8.832
   95    HA   ALA  11           HA       ALA  11  -4.832   4.565  -9.811
   96    HB1  ALA  11          1HB       ALA  11  -5.281   6.977  -9.619
   97    HB2  ALA  11          2HB       ALA  11  -3.548   7.302  -9.527
   98    HB3  ALA  11          3HB       ALA  11  -4.346   6.413  -8.231
   99    H    THR  12           H        THR  12  -1.949   5.522 -11.477
  100    HA   THR  12           HA       THR  12  -3.018   6.558 -13.871
  101    HB   THR  12           HB       THR  12  -0.419   5.015 -13.560
  102    HG1  THR  12           HG1      THR  12  -1.057   7.062 -12.200
  103   HG21  THR  12          1HG2      THR  12  -1.191   7.208 -15.538
  104   HG22  THR  12          2HG2      THR  12  -1.041   5.497 -15.935
  105   HG23  THR  12          3HG2      THR  12   0.386   6.405 -15.437
  106    H    GLN  13           H        GLN  13  -2.111   3.234 -12.911
  107    HA   GLN  13           HA       GLN  13  -3.082   2.118 -15.453
  108    HB2  GLN  13          2HB       GLN  13  -2.057   0.000 -14.695
  109    HB3  GLN  13          1HB       GLN  13  -0.904   1.328 -14.637
  110    HG2  GLN  13          2HG       GLN  13  -1.157   1.493 -12.209
  111    HG3  GLN  13          1HG       GLN  13  -2.386   0.234 -12.227
  112   HE21  GLN  13          1HE2      GLN  13   1.034   0.904 -12.514
  113   HE22  GLN  13          2HE2      GLN  13   1.568  -0.729 -12.356
  114    H    PHE  14           H        PHE  14  -4.190   2.506 -12.208
  115    HA   PHE  14           HA       PHE  14  -6.033   0.238 -12.323
  116    HB2  PHE  14          2HB       PHE  14  -4.597   1.643 -10.124
  117    HB3  PHE  14          1HB       PHE  14  -6.279   1.289  -9.737
  118    HD1  PHE  14           HD1      PHE  14  -5.598  -0.282  -7.934
  119    HD2  PHE  14           HD2      PHE  14  -4.381  -0.943 -11.997
  120    HE1  PHE  14           HE1      PHE  14  -5.043  -2.625  -7.414
  121    HE2  PHE  14           HE2      PHE  14  -3.830  -3.267 -11.447
  122    HZ   PHE  14           HZ       PHE  14  -4.161  -4.111  -9.160
  123    H    LEU  15           H        LEU  15  -6.065   3.744 -12.219
  124    HA   LEU  15           HA       LEU  15  -9.046   3.720 -12.105
  125    HB2  LEU  15          2HB       LEU  15  -7.249   5.857 -10.910
  126    HB3  LEU  15          1HB       LEU  15  -8.986   5.707 -10.724
  127    HG   LEU  15           HG       LEU  15  -6.916   3.825  -9.509
  128   HD11  LEU  15          1HD1      LEU  15  -6.887   6.122  -8.564
  129   HD12  LEU  15          2HD1      LEU  15  -7.342   4.887  -7.405
  130   HD13  LEU  15          3HD1      LEU  15  -8.582   5.939  -8.094
  131   HD21  LEU  15          1HD2      LEU  15  -9.035   2.656  -9.924
  132   HD22  LEU  15          2HD2      LEU  15  -9.934   3.915  -9.070
  133   HD23  LEU  15          3HD2      LEU  15  -8.782   2.896  -8.198
  134    H    ASP  16           H        ASP  16  -6.950   3.980 -14.374
  135    HA   ASP  16           HA       ASP  16  -6.925   4.935 -16.434
  136    HB2  ASP  16          2HB       ASP  16  -9.485   5.013 -16.098
  137    HB3  ASP  16          1HB       ASP  16  -9.292   6.678 -15.587
  138    H    GLY  17           H        GLY  17  -5.592   6.185 -13.993
  139    HA2  GLY  17          2HA       GLY  17  -4.044   7.900 -13.784
  140    HA3  GLY  17          1HA       GLY  17  -4.644   8.635 -15.256
  141    H    GLU  18           H        GLU  18  -7.120   7.897 -13.047
  142    HA   GLU  18           HA       GLU  18  -7.244  10.703 -12.088
  143    HB2  GLU  18          2HB       GLU  18  -9.531  10.719 -12.469
  144    HB3  GLU  18          1HB       GLU  18  -9.100   9.527 -13.693
  145    HG2  GLU  18          2HG       GLU  18  -9.665   7.729 -12.007
  146    HG3  GLU  18          1HG       GLU  18 -10.277   8.993 -10.946
  147    H    LYS  19           H        LYS  19  -7.798  11.005  -9.866
  148    HA   LYS  19           HA       LYS  19  -7.486   8.634  -8.110
  149    HB2  LYS  19          2HB       LYS  19  -7.501  11.576  -7.370
  150    HB3  LYS  19          1HB       LYS  19  -7.185  10.219  -6.288
  151    HG2  LYS  19          2HG       LYS  19  -5.229   9.637  -7.846
  152    HG3  LYS  19          1HG       LYS  19  -5.451  11.244  -8.541
  153    HD2  LYS  19          2HD       LYS  19  -4.954  10.690  -5.601
  154    HD3  LYS  19          1HD       LYS  19  -3.685  11.103  -6.749
  155    HE2  LYS  19          2HE       LYS  19  -4.202  13.123  -5.572
  156    HE3  LYS  19          1HE       LYS  19  -4.942  13.303  -7.160
  157    HZ1  LYS  19          1HZ       LYS  19  -7.074  12.763  -6.197
  158    HZ2  LYS  19          2HZ       LYS  19  -6.373  14.031  -5.337
  159    HZ3  LYS  19          3HZ       LYS  19  -6.371  12.471  -4.692
  160    H    ASP  20           H        ASP  20  -9.394   7.670  -7.936
  161    HA   ASP  20           HA       ASP  20 -11.610   8.936  -6.616
  162    HB2  ASP  20          2HB       ASP  20 -12.148   9.677  -8.879
  163    HB3  ASP  20          1HB       ASP  20 -11.915   8.051  -9.517
  164    H    GLY  21           H        GLY  21 -12.687   7.481  -5.455
  165    HA2  GLY  21          2HA       GLY  21 -13.536   5.490  -4.680
  166    HA3  GLY  21          1HA       GLY  21 -12.857   4.661  -6.067
  167    H    LEU  22           H        LEU  22 -10.146   5.663  -5.626
  168    HA   LEU  22           HA       LEU  22  -9.312   4.030  -3.323
  169    HB2  LEU  22          2HB       LEU  22  -8.526   3.604  -5.816
  170    HB3  LEU  22          1HB       LEU  22  -7.455   4.954  -5.546
  171    HG   LEU  22           HG       LEU  22  -7.425   2.492  -3.753
  172   HD11  LEU  22          1HD1      LEU  22  -5.749   2.936  -6.243
  173   HD12  LEU  22          2HD1      LEU  22  -7.026   1.733  -6.039
  174   HD13  LEU  22          3HD1      LEU  22  -5.555   1.620  -5.078
  175   HD21  LEU  22          1HD2      LEU  22  -5.114   3.199  -3.197
  176   HD22  LEU  22          2HD2      LEU  22  -6.289   4.438  -2.768
  177   HD23  LEU  22          3HD2      LEU  22  -5.304   4.630  -4.219
  178    H    ASP  23           H        ASP  23  -9.250   5.391  -1.673
  179    HA   ASP  23           HA       ASP  23  -7.249   7.575  -1.787
  180    HB2  ASP  23          2HB       ASP  23  -9.513   7.288   0.257
  181    HB3  ASP  23          1HB       ASP  23  -8.293   8.557   0.233
  182    H    SER  24           H        SER  24  -6.025   7.719   0.251
  183    HA   SER  24           HA       SER  24  -4.885   5.304   1.098
  184    HB2  SER  24          2HB       SER  24  -3.851   6.769   2.881
  185    HB3  SER  24          1HB       SER  24  -3.644   7.370   1.240
  186    HG   SER  24           HG       SER  24  -4.350   8.903   2.915
  187    H    GLN  25           H        GLN  25  -7.362   7.389   2.610
  188    HA   GLN  25           HA       GLN  25  -7.576   5.866   5.045
  189    HB2  GLN  25          2HB       GLN  25  -9.465   8.009   3.970
  190    HB3  GLN  25          1HB       GLN  25  -9.375   7.432   5.630
  191    HG2  GLN  25          2HG       GLN  25  -7.072   8.356   5.800
  192    HG3  GLN  25          1HG       GLN  25  -7.217   8.987   4.164
  193   HE21  GLN  25          1HE2      GLN  25  -8.793  10.649   3.779
  194   HE22  GLN  25          2HE2      GLN  25  -9.331  11.669   5.069
  195    H    THR  26           H        THR  26  -8.995   5.613   1.940
  196    HA   THR  26           HA       THR  26 -11.556   4.553   2.682
  197    HB   THR  26           HB       THR  26 -10.134   4.613  -0.020
  198    HG1  THR  26           HG1      THR  26 -11.392   6.486  -0.320
  199   HG21  THR  26          1HG2      THR  26 -11.963   2.965  -0.037
  200   HG22  THR  26          2HG2      THR  26 -12.399   4.388  -0.990
  201   HG23  THR  26          3HG2      THR  26 -13.068   4.167   0.633
  202    HA   PRO  27           HA       PRO  27 -10.190   0.353   3.457
  203    HB2  PRO  27          2HB       PRO  27 -12.595  -0.987   3.137
  204    HB3  PRO  27          1HB       PRO  27 -12.180  -0.036   4.581
  205    HG2  PRO  27          2HG       PRO  27 -13.844   0.776   2.216
  206    HG3  PRO  27          1HG       PRO  27 -14.147   1.051   3.944
  207    HD2  PRO  27          2HD       PRO  27 -13.152   2.997   2.370
  208    HD3  PRO  27          1HD       PRO  27 -12.640   2.840   4.062
  209    H    LEU  28           H        LEU  28  -8.858  -0.354   1.890
  210    HA   LEU  28           HA       LEU  28  -9.581  -0.592  -0.876
  211    HB2  LEU  28          2HB       LEU  28  -7.114  -1.663   0.558
  212    HB3  LEU  28          1HB       LEU  28  -7.289  -1.408  -1.169
  213    HG   LEU  28           HG       LEU  28  -7.159   0.782   0.951
  214   HD11  LEU  28          1HD1      LEU  28  -5.112  -0.010  -1.142
  215   HD12  LEU  28          2HD1      LEU  28  -4.990  -0.268   0.600
  216   HD13  LEU  28          3HD1      LEU  28  -4.994   1.371  -0.046
  217   HD21  LEU  28          1HD2      LEU  28  -8.620   1.489  -0.880
  218   HD22  LEU  28          2HD2      LEU  28  -7.375   1.089  -2.065
  219   HD23  LEU  28          3HD2      LEU  28  -7.108   2.395  -0.906
  220    H    PHE  29           H        PHE  29  -9.723  -2.601   1.895
  221    HA   PHE  29           HA       PHE  29  -9.710  -5.152   0.551
  222    HB2  PHE  29          2HB       PHE  29  -9.280  -4.248   3.228
  223    HB3  PHE  29          1HB       PHE  29 -10.745  -5.218   3.321
  224    HD1  PHE  29           HD1      PHE  29  -7.374  -5.282   1.755
  225    HD2  PHE  29           HD2      PHE  29 -10.452  -7.545   3.676
  226    HE1  PHE  29           HE1      PHE  29  -5.989  -7.269   1.661
  227    HE2  PHE  29           HE2      PHE  29  -9.036  -9.551   3.578
  228    HZ   PHE  29           HZ       PHE  29  -6.798  -9.425   2.555
  229    H    GLU  30           H        GLU  30 -12.124  -3.341   2.451
  230    HA   GLU  30           HA       GLU  30 -14.220  -5.217   2.108
  231    HB2  GLU  30          2HB       GLU  30 -14.358  -2.291   2.946
  232    HB3  GLU  30          1HB       GLU  30 -15.641  -3.479   3.176
  233    HG2  GLU  30          2HG       GLU  30 -14.164  -4.793   4.650
  234    HG3  GLU  30          1HG       GLU  30 -12.881  -3.607   4.429
  235    H    LEU  31           H        LEU  31 -13.139  -2.573   0.168
  236    HA   LEU  31           HA       LEU  31 -15.569  -2.635  -1.516
  237    HB2  LEU  31          2HB       LEU  31 -13.221  -0.728  -1.734
  238    HB3  LEU  31          1HB       LEU  31 -14.807  -0.565  -2.474
  239    HG   LEU  31           HG       LEU  31 -14.117  -0.279   0.471
  240   HD11  LEU  31          1HD1      LEU  31 -13.471   1.616  -0.893
  241   HD12  LEU  31          2HD1      LEU  31 -14.782   2.032   0.209
  242   HD13  LEU  31          3HD1      LEU  31 -15.123   1.773  -1.505
  243   HD21  LEU  31          1HD2      LEU  31 -16.877  -0.158  -0.810
  244   HD22  LEU  31          2HD2      LEU  31 -16.495   0.308   0.850
  245   HD23  LEU  31          3HD2      LEU  31 -16.288  -1.366   0.343
  246    H    ASN  32           H        ASN  32 -12.310  -3.761  -1.368
  247    HA   ASN  32           HA       ASN  32 -10.967  -4.960  -2.727
  248    HB2  ASN  32          2HB       ASN  32 -12.938  -6.436  -2.940
  249    HB3  ASN  32          1HB       ASN  32 -13.565  -5.471  -4.268
  250   HD21  ASN  32          1HD2      ASN  32 -12.693  -5.764  -6.332
  251   HD22  ASN  32          2HD2      ASN  32 -11.607  -7.049  -6.728
  252    H    ILE  33           H        ILE  33 -10.606  -2.396  -2.978
  253    HA   ILE  33           HA       ILE  33 -10.944  -1.368  -5.652
  254    HB   ILE  33           HB       ILE  33  -9.148  -0.194  -3.485
  255   HG12  ILE  33          2HG1      ILE  33 -12.095   0.484  -3.920
  256   HG13  ILE  33          1HG1      ILE  33 -11.552  -0.637  -2.677
  257   HG21  ILE  33          1HG2      ILE  33 -10.589   1.046  -5.867
  258   HG22  ILE  33          2HG2      ILE  33  -8.854   0.738  -5.751
  259   HG23  ILE  33          3HG2      ILE  33  -9.614   1.934  -4.694
  260   HD11  ILE  33          1HD1      ILE  33 -11.991   1.583  -1.801
  261   HD12  ILE  33          2HD1      ILE  33 -10.771   2.263  -2.878
  262   HD13  ILE  33          3HD1      ILE  33 -10.299   1.135  -1.603
  263    H    VAL  34           H        VAL  34  -8.080  -2.196  -3.644
  264    HA   VAL  34           HA       VAL  34  -6.414  -2.338  -6.070
  265    HB   VAL  34           HB       VAL  34  -5.555  -0.997  -4.119
  266   HG11  VAL  34          1HG1      VAL  34  -4.723  -2.095  -2.084
  267   HG12  VAL  34          2HG1      VAL  34  -5.296  -3.657  -2.671
  268   HG13  VAL  34          3HG1      VAL  34  -6.456  -2.385  -2.280
  269   HG21  VAL  34          1HG2      VAL  34  -3.962  -1.888  -5.776
  270   HG22  VAL  34          2HG2      VAL  34  -3.815  -3.387  -4.859
  271   HG23  VAL  34          3HG2      VAL  34  -3.225  -1.872  -4.170
  272    H    ASP  35           H        ASP  35  -5.521  -4.225  -6.747
  273    HA   ASP  35           HA       ASP  35  -6.500  -6.727  -5.580
  274    HB2  ASP  35          2HB       ASP  35  -5.156  -6.070  -8.225
  275    HB3  ASP  35          1HB       ASP  35  -5.373  -7.730  -7.692
  276    H    SER  36           H        SER  36  -5.121  -8.500  -5.507
  277    HA   SER  36           HA       SER  36  -2.956  -8.442  -3.767
  278    HB2  SER  36          2HB       SER  36  -4.275 -10.381  -3.894
  279    HB3  SER  36          1HB       SER  36  -4.238 -10.431  -5.649
  280    H    ALA  37           H        ALA  37  -3.035  -8.338  -7.271
  281    HA   ALA  37           HA       ALA  37  -0.343  -8.948  -7.869
  282    HB1  ALA  37          1HB       ALA  37  -2.139  -9.079  -9.531
  283    HB2  ALA  37          2HB       ALA  37  -0.839  -8.031 -10.098
  284    HB3  ALA  37          3HB       ALA  37  -2.338  -7.324  -9.486
  285    H    ALA  38           H        ALA  38  -1.968  -5.808  -7.316
  286    HA   ALA  38           HA       ALA  38   0.273  -4.210  -8.182
  287    HB1  ALA  38          1HB       ALA  38  -2.278  -3.357  -6.787
  288    HB2  ALA  38          2HB       ALA  38  -2.023  -3.430  -8.528
  289    HB3  ALA  38          3HB       ALA  38  -1.109  -2.278  -7.554
  290    H    ILE  39           H        ILE  39  -0.556  -5.688  -5.223
  291    HA   ILE  39           HA       ILE  39   0.235  -3.832  -3.289
  292    HB   ILE  39           HB       ILE  39   0.286  -6.879  -3.225
  293   HG12  ILE  39          2HG1      ILE  39  -1.946  -5.952  -3.579
  294   HG13  ILE  39          1HG1      ILE  39  -1.845  -6.601  -1.951
  295   HG21  ILE  39          1HG2      ILE  39   0.388  -6.731  -0.737
  296   HG22  ILE  39          2HG2      ILE  39   0.601  -4.982  -0.849
  297   HG23  ILE  39          3HG2      ILE  39   1.847  -6.061  -1.484
  298   HD11  ILE  39          1HD1      ILE  39  -3.085  -4.530  -2.007
  299   HD12  ILE  39          2HD1      ILE  39  -1.705  -3.682  -2.704
  300   HD13  ILE  39          3HD1      ILE  39  -1.612  -4.330  -1.061
  301    H    PHE  40           H        PHE  40   2.178  -6.167  -5.127
  302    HA   PHE  40           HA       PHE  40   4.624  -5.968  -3.795
  303    HB2  PHE  40          2HB       PHE  40   4.284  -7.668  -5.517
  304    HB3  PHE  40          1HB       PHE  40   4.068  -6.436  -6.759
  305    HD1  PHE  40           HD1      PHE  40   6.589  -7.627  -4.243
  306    HD2  PHE  40           HD2      PHE  40   5.970  -5.778  -8.060
  307    HE1  PHE  40           HE1      PHE  40   9.014  -7.595  -4.631
  308    HE2  PHE  40           HE2      PHE  40   8.404  -5.763  -8.436
  309    HZ   PHE  40           HZ       PHE  40   9.925  -6.670  -6.724
  310    H    ASP  41           H        ASP  41   3.213  -3.819  -6.238
  311    HA   ASP  41           HA       ASP  41   5.543  -2.210  -6.673
  312    HB2  ASP  41          2HB       ASP  41   3.707  -2.319  -8.321
  313    HB3  ASP  41          1HB       ASP  41   2.582  -1.638  -7.153
  314    H    LEU  42           H        LEU  42   2.689  -1.995  -4.576
  315    HA   LEU  42           HA       LEU  42   3.020   0.615  -3.606
  316    HB2  LEU  42          2HB       LEU  42   1.657  -1.738  -2.260
  317    HB3  LEU  42          1HB       LEU  42   1.472  -0.061  -1.771
  318    HG   LEU  42           HG       LEU  42   0.546  -1.265  -4.416
  319   HD11  LEU  42          1HD1      LEU  42  -1.720  -0.853  -3.599
  320   HD12  LEU  42          2HD1      LEU  42  -1.082  -0.262  -2.062
  321   HD13  LEU  42          3HD1      LEU  42  -0.848  -1.948  -2.529
  322   HD21  LEU  42          1HD2      LEU  42   0.266   1.597  -3.428
  323   HD22  LEU  42          2HD2      LEU  42  -0.483   0.926  -4.877
  324   HD23  LEU  42          3HD2      LEU  42   1.269   1.045  -4.774
  325    H    VAL  43           H        VAL  43   4.565  -2.375  -2.612
  326    HA   VAL  43           HA       VAL  43   5.336  -1.500  -0.003
  327    HB   VAL  43           HB       VAL  43   6.582  -3.478   0.267
  328   HG11  VAL  43          1HG1      VAL  43   4.392  -4.246  -1.662
  329   HG12  VAL  43          2HG1      VAL  43   4.165  -3.849   0.033
  330   HG13  VAL  43          3HG1      VAL  43   5.101  -5.267  -0.412
  331   HG21  VAL  43          1HG2      VAL  43   6.769  -3.852  -2.745
  332   HG22  VAL  43          2HG2      VAL  43   7.366  -4.995  -1.542
  333   HG23  VAL  43          3HG2      VAL  43   8.086  -3.390  -1.673
  334    H    ASP  44           H        ASP  44   6.930  -1.415  -3.207
  335    HA   ASP  44           HA       ASP  44   9.530  -0.792  -2.312
  336    HB2  ASP  44          2HB       ASP  44   8.112  -0.500  -4.976
  337    HB3  ASP  44          1HB       ASP  44   9.673   0.294  -4.790
  338    H    PHE  45           H        PHE  45   6.752   1.262  -2.853
  339    HA   PHE  45           HA       PHE  45   7.985   3.776  -2.603
  340    HB2  PHE  45          2HB       PHE  45   5.614   3.462  -3.278
  341    HB3  PHE  45          1HB       PHE  45   5.224   2.886  -1.661
  342    HD1  PHE  45           HD1      PHE  45   6.307   5.870  -3.610
  343    HD2  PHE  45           HD2      PHE  45   4.821   4.466   0.160
  344    HE1  PHE  45           HE1      PHE  45   5.904   8.174  -2.880
  345    HE2  PHE  45           HE2      PHE  45   4.425   6.792   0.852
  346    HZ   PHE  45           HZ       PHE  45   4.968   8.639  -0.679
  347    H    LEU  46           H        LEU  46   6.413   1.728  -0.113
  348    HA   LEU  46           HA       LEU  46   7.083   3.344   2.105
  349    HB2  LEU  46          2HB       LEU  46   6.303   0.410   1.974
  350    HB3  LEU  46          1HB       LEU  46   6.431   1.318   3.472
  351    HG   LEU  46           HG       LEU  46   4.422   1.788   1.233
  352   HD11  LEU  46          1HD1      LEU  46   3.990   0.857   4.086
  353   HD12  LEU  46          2HD1      LEU  46   3.901  -0.147   2.636
  354   HD13  LEU  46          3HD1      LEU  46   2.734   1.149   2.876
  355   HD21  LEU  46          1HD2      LEU  46   3.422   3.541   2.648
  356   HD22  LEU  46          2HD2      LEU  46   5.057   3.965   2.153
  357   HD23  LEU  46          3HD2      LEU  46   4.758   3.390   3.796
  358    H    ARG  47           H        ARG  47   8.879   0.769   0.499
  359    HA   ARG  47           HA       ARG  47  10.698   0.288   2.701
  360    HB2  ARG  47          2HB       ARG  47  10.462  -0.749  -0.134
  361    HB3  ARG  47          1HB       ARG  47  11.992  -0.962   0.715
  362    HG2  ARG  47          2HG       ARG  47  10.571  -2.958   0.917
  363    HG3  ARG  47          1HG       ARG  47  10.891  -2.224   2.484
  364    HD2  ARG  47          2HD       ARG  47   8.497  -1.017   1.699
  365    HD3  ARG  47          1HD       ARG  47   8.338  -2.648   1.085
  366    HE   ARG  47           HE       ARG  47   8.381  -3.487   3.260
  367   HH11  ARG  47          1HH1      ARG  47   8.652   0.019   3.395
  368   HH12  ARG  47          2HH1      ARG  47   8.275   0.100   5.079
  369   HH21  ARG  47          1HH2      ARG  47   7.985  -3.376   5.460
  370   HH22  ARG  47          2HH2      ARG  47   7.900  -1.838   6.256
  371    H    GLN  48           H        GLN  48  10.542   2.354  -0.024
  372    HA   GLN  48           HA       GLN  48  13.256   3.278  -0.072
  373    HB2  GLN  48          2HB       GLN  48  11.800   3.334  -2.055
  374    HB3  GLN  48          1HB       GLN  48  10.658   4.375  -1.219
  375    HG2  GLN  48          2HG       GLN  48  12.406   6.159  -1.146
  376    HG3  GLN  48          1HG       GLN  48  13.466   5.105  -2.083
  377   HE21  GLN  48          1HE2      GLN  48   9.979   5.347  -2.617
  378   HE22  GLN  48          2HE2      GLN  48  10.099   6.076  -4.174
  379    H    GLU  49           H        GLU  49  10.141   4.445   1.250
  380    HA   GLU  49           HA       GLU  49  11.216   6.908   2.281
  381    HB2  GLU  49          2HB       GLU  49   8.507   5.625   2.843
  382    HB3  GLU  49          1HB       GLU  49   8.956   7.287   3.208
  383    HG2  GLU  49          2HG       GLU  49   8.564   6.030   0.486
  384    HG3  GLU  49          1HG       GLU  49   7.606   7.309   1.218
  385    H    SER  50           H        SER  50  10.195   3.836   3.717
  386    HA   SER  50           HA       SER  50  10.842   4.621   6.425
  387    HB2  SER  50          2HB       SER  50  10.107   1.857   5.375
  388    HB3  SER  50          1HB       SER  50  10.083   2.385   7.056
  389    HG   SER  50           HG       SER  50   8.528   4.066   6.150
  390    H    LYS  51           H        LYS  51  12.661   3.494   3.801
  391    HA   LYS  51           HA       LYS  51  14.856   3.061   3.499
  392    HB2  LYS  51          2HB       LYS  51  15.243   3.701   6.456
  393    HB3  LYS  51          1HB       LYS  51  16.467   3.786   5.196
  394    HG2  LYS  51          2HG       LYS  51  14.024   5.587   5.386
  395    HG3  LYS  51          1HG       LYS  51  15.646   6.014   5.926
  396    HD2  LYS  51          2HD       LYS  51  16.492   5.905   3.652
  397    HD3  LYS  51          1HD       LYS  51  14.941   5.298   3.063
  398    HE2  LYS  51          2HE       LYS  51  15.262   7.702   2.564
  399    HE3  LYS  51          1HE       LYS  51  13.865   7.429   3.603
  400    HZ1  LYS  51          1HZ       LYS  51  15.274   8.052   5.508
  401    HZ2  LYS  51          2HZ       LYS  51  15.111   9.300   4.382
  402    HZ3  LYS  51          3HZ       LYS  51  16.540   8.408   4.451
  403    H    VAL  52           H        VAL  52  12.967   0.962   4.513
  404    HA   VAL  52           HA       VAL  52  14.853  -0.987   5.716
  405    HB   VAL  52           HB       VAL  52  12.872  -2.056   6.782
  406   HG11  VAL  52          1HG1      VAL  52  13.346   0.825   7.607
  407   HG12  VAL  52          2HG1      VAL  52  14.315  -0.570   8.092
  408   HG13  VAL  52          3HG1      VAL  52  12.640  -0.433   8.624
  409   HG21  VAL  52          1HG2      VAL  52  11.056  -1.246   5.335
  410   HG22  VAL  52          2HG2      VAL  52  11.329   0.405   5.890
  411   HG23  VAL  52          3HG2      VAL  52  10.734  -0.815   7.018
  412    H    SER  53           H        SER  53  14.490  -3.208   5.088
  413    HA   SER  53           HA       SER  53  13.151  -3.597   2.472
  414    HB2  SER  53          2HB       SER  53  15.588  -4.210   2.645
  415    HB3  SER  53          1HB       SER  53  15.168  -5.431   3.846
  416    HG   SER  53           HG       SER  53  14.901  -5.470   1.114
  417    H    ILE  54           H        ILE  54  11.940  -5.574   2.171
  418    HA   ILE  54           HA       ILE  54  10.644  -6.667   4.585
  419    HB   ILE  54           HB       ILE  54   9.288  -4.803   3.582
  420   HG12  ILE  54          2HG1      ILE  54   7.961  -7.543   3.430
  421   HG13  ILE  54          1HG1      ILE  54   8.183  -6.597   4.897
  422   HG21  ILE  54          1HG2      ILE  54   8.983  -6.628   1.168
  423   HG22  ILE  54          2HG2      ILE  54   9.871  -5.105   1.207
  424   HG23  ILE  54          3HG2      ILE  54   8.122  -5.109   1.430
  425   HD11  ILE  54          1HD1      ILE  54   6.473  -5.830   2.534
  426   HD12  ILE  54          2HD1      ILE  54   6.690  -4.874   4.004
  427   HD13  ILE  54          3HD1      ILE  54   5.911  -6.455   4.083
  428    H    GLY  55           H        GLY  55   9.924  -8.814   4.401
  429    HA2  GLY  55          2HA       GLY  55  10.864 -10.395   2.133
  430    HA3  GLY  55          1HA       GLY  55  10.113 -11.003   3.604
  431    H    MET  56           H        MET  56   9.472 -11.742   0.854
  432    HA   MET  56           HA       MET  56   7.099 -10.497  -0.086
  433    HB2  MET  56          2HB       MET  56   7.963 -13.374  -0.604
  434    HB3  MET  56          1HB       MET  56   6.853 -12.413  -1.578
  435    HG2  MET  56          2HG       MET  56   9.823 -11.927  -1.241
  436    HG3  MET  56          1HG       MET  56   9.015 -12.554  -2.676
  437    HE1  MET  56          1HE       MET  56   6.402 -10.702  -2.879
  438    HE2  MET  56          2HE       MET  56   7.421 -11.021  -4.280
  439    HE3  MET  56          3HE       MET  56   6.987  -9.365  -3.860
  440    H    GLN  57           H        GLN  57   7.647 -12.660   2.513
  441    HA   GLN  57           HA       GLN  57   5.102 -13.869   2.786
  442    HB2  GLN  57          2HB       GLN  57   7.165 -13.256   4.955
  443    HB3  GLN  57          1HB       GLN  57   5.761 -14.293   5.161
  444    HG2  GLN  57          2HG       GLN  57   7.590 -15.759   4.855
  445    HG3  GLN  57          1HG       GLN  57   6.722 -15.768   3.317
  446   HE21  GLN  57          1HE2      GLN  57   7.729 -14.875   1.480
  447   HE22  GLN  57          2HE2      GLN  57   9.428 -14.553   1.432
  448    H    GLU  58           H        GLU  58   6.470 -10.805   3.948
  449    HA   GLU  58           HA       GLU  58   4.088 -10.095   5.478
  450    HB2  GLU  58          2HB       GLU  58   6.522  -8.376   4.879
  451    HB3  GLU  58          1HB       GLU  58   5.286  -8.056   6.087
  452    HG2  GLU  58          2HG       GLU  58   7.392 -10.224   6.121
  453    HG3  GLU  58          1HG       GLU  58   7.257  -8.838   7.201
  454    H    ILE  59           H        ILE  59   5.328  -9.651   2.271
  455    HA   ILE  59           HA       ILE  59   3.747  -7.350   1.592
  456    HB   ILE  59           HB       ILE  59   4.981  -9.404  -0.286
  457   HG12  ILE  59          2HG1      ILE  59   6.084  -6.754   0.749
  458   HG13  ILE  59          1HG1      ILE  59   6.730  -8.357   1.083
  459   HG21  ILE  59          1HG2      ILE  59   4.747  -7.652  -2.014
  460   HG22  ILE  59          2HG2      ILE  59   3.983  -6.584  -0.834
  461   HG23  ILE  59          3HG2      ILE  59   3.181  -8.065  -1.321
  462   HD11  ILE  59          1HD1      ILE  59   6.682  -6.969  -1.590
  463   HD12  ILE  59          2HD1      ILE  59   7.292  -8.602  -1.293
  464   HD13  ILE  59          3HD1      ILE  59   8.083  -7.218  -0.544
  465    H    HIS  60           H        HIS  60   1.666  -7.901   2.337
  466    HA   HIS  60           HA       HIS  60   0.096  -9.362   0.348
  467    HB2  HIS  60          2HB       HIS  60   0.494 -10.367   3.066
  468    HB3  HIS  60          1HB       HIS  60  -1.205  -9.944   2.857
  469    HD1  HIS  60           HD1      HIS  60   1.466 -12.021   1.099
  470    HD2  HIS  60           HD2      HIS  60  -2.675 -11.777   1.476
  471    HE1  HIS  60           HE1      HIS  60   0.558 -14.010  -0.139
  472    HE2  HIS  60           HE2      HIS  60  -1.938 -13.724  -0.065
  473    HA   PRO  61           HA       PRO  61  -2.576  -5.765   0.630
  474    HB2  PRO  61          2HB       PRO  61  -5.042  -6.964   0.031
  475    HB3  PRO  61          1HB       PRO  61  -3.833  -6.504  -1.187
  476    HG2  PRO  61          2HG       PRO  61  -4.324  -9.188   0.049
  477    HG3  PRO  61          1HG       PRO  61  -4.017  -8.770  -1.651
  478    HD2  PRO  61          2HD       PRO  61  -2.065  -9.791  -0.104
  479    HD3  PRO  61          1HD       PRO  61  -1.697  -8.521  -1.298
  480    H    ALA  62           H        ALA  62  -3.081  -8.655   2.512
  481    HA   ALA  62           HA       ALA  62  -5.093  -7.924   4.285
  482    HB1  ALA  62          1HB       ALA  62  -4.132 -10.192   4.194
  483    HB2  ALA  62          2HB       ALA  62  -4.079  -9.561   5.844
  484    HB3  ALA  62          3HB       ALA  62  -2.615  -9.586   4.859
  485    H    ASN  63           H        ASN  63  -1.675  -7.076   4.205
  486    HA   ASN  63           HA       ASN  63  -1.797  -5.461   6.638
  487    HB2  ASN  63          2HB       ASN  63   0.504  -5.910   4.685
  488    HB3  ASN  63          1HB       ASN  63   0.619  -5.077   6.236
  489   HD21  ASN  63          1HD2      ASN  63   2.200  -7.266   5.551
  490   HD22  ASN  63          2HD2      ASN  63   1.798  -8.580   6.597
  491    H    PHE  64           H        PHE  64  -1.971  -5.081   3.184
  492    HA   PHE  64           HA       PHE  64  -1.740  -2.143   3.345
  493    HB2  PHE  64          2HB       PHE  64  -1.661  -4.088   0.978
  494    HB3  PHE  64          1HB       PHE  64  -1.697  -2.334   0.791
  495    HD1  PHE  64           HD1      PHE  64   0.292  -5.115   2.283
  496    HD2  PHE  64           HD2      PHE  64   0.313  -1.066   0.913
  497    HE1  PHE  64           HE1      PHE  64   2.725  -5.051   2.534
  498    HE2  PHE  64           HE2      PHE  64   2.752  -1.010   1.175
  499    HZ   PHE  64           HZ       PHE  64   3.957  -2.995   1.985
  500    H    ALA  65           H        ALA  65  -4.042  -3.771   4.329
  501    HA   ALA  65           HA       ALA  65  -6.297  -3.726   2.674
  502    HB1  ALA  65          1HB       ALA  65  -6.180  -3.517   5.706
  503    HB2  ALA  65          2HB       ALA  65  -6.131  -5.007   4.762
  504    HB3  ALA  65          3HB       ALA  65  -7.583  -4.003   4.750
  505    H    THR  66           H        THR  66  -4.920  -1.234   4.780
  506    HA   THR  66           HA       THR  66  -6.371   0.924   3.445
  507    HB   THR  66           HB       THR  66  -6.919   2.095   5.622
  508    HG1  THR  66           HG1      THR  66  -6.630  -0.392   6.942
  509   HG21  THR  66          1HG2      THR  66  -8.339  -0.578   5.388
  510   HG22  THR  66          2HG2      THR  66  -8.770   0.895   4.517
  511   HG23  THR  66          3HG2      THR  66  -8.927   0.833   6.273
  512    H    VAL  67           H        VAL  67  -5.406   3.120   4.366
  513    HA   VAL  67           HA       VAL  67  -2.570   3.112   4.421
  514    HB   VAL  67           HB       VAL  67  -3.927   5.156   3.839
  515   HG11  VAL  67          1HG1      VAL  67  -4.784   6.654   5.605
  516   HG12  VAL  67          2HG1      VAL  67  -4.392   5.445   6.830
  517   HG13  VAL  67          3HG1      VAL  67  -5.623   5.100   5.611
  518   HG21  VAL  67          1HG2      VAL  67  -1.835   5.607   6.002
  519   HG22  VAL  67          2HG2      VAL  67  -2.395   6.828   4.857
  520   HG23  VAL  67          3HG2      VAL  67  -1.526   5.408   4.275
  521    H    GLN  68           H        GLN  68  -5.039   2.921   6.942
  522    HA   GLN  68           HA       GLN  68  -3.396   3.425   9.200
  523    HB2  GLN  68          2HB       GLN  68  -5.922   1.714   9.093
  524    HB3  GLN  68          1HB       GLN  68  -5.237   2.480  10.524
  525    HG2  GLN  68          2HG       GLN  68  -6.436   3.898   8.132
  526    HG3  GLN  68          1HG       GLN  68  -7.194   3.701   9.712
  527   HE21  GLN  68          1HE2      GLN  68  -6.502   6.116   8.191
  528   HE22  GLN  68          2HE2      GLN  68  -5.531   7.076   9.250
  529    H    SER  69           H        SER  69  -4.431   0.464   7.558
  530    HA   SER  69           HA       SER  69  -3.160  -1.416   9.211
  531    HB2  SER  69          2HB       SER  69  -3.872  -1.658   6.255
  532    HB3  SER  69          1HB       SER  69  -3.598  -2.997   7.374
  533    HG   SER  69           HG       SER  69  -5.612  -2.830   7.914
  534    H    MET  70           H        MET  70  -2.054   0.227   6.206
  535    HA   MET  70           HA       MET  70   0.344  -1.376   6.014
  536    HB2  MET  70          2HB       MET  70   0.742  -0.327   3.920
  537    HB3  MET  70          1HB       MET  70  -1.003  -0.509   4.034
  538    HG2  MET  70          2HG       MET  70  -1.229   1.856   4.610
  539    HG3  MET  70          1HG       MET  70   0.522   2.055   4.540
  540    HE1  MET  70          1HE       MET  70  -2.750   1.291   2.442
  541    HE2  MET  70          2HE       MET  70  -1.762  -0.115   2.044
  542    HE3  MET  70          3HE       MET  70  -2.089   1.114   0.818
  543    H    VAL  71           H        VAL  71  -0.430   1.870   7.188
  544    HA   VAL  71           HA       VAL  71   2.274   2.807   7.395
  545    HB   VAL  71           HB       VAL  71  -0.026   4.174   7.462
  546   HG11  VAL  71          1HG1      VAL  71  -0.909   3.231   9.549
  547   HG12  VAL  71          2HG1      VAL  71  -0.715   4.982   9.670
  548   HG13  VAL  71          3HG1      VAL  71   0.458   3.909  10.434
  549   HG21  VAL  71          1HG2      VAL  71   2.169   5.233   7.253
  550   HG22  VAL  71          2HG2      VAL  71   2.450   5.067   8.987
  551   HG23  VAL  71          3HG2      VAL  71   1.181   6.144   8.396
  552    H    ALA  72           H        ALA  72  -0.010   1.162   9.457
  553    HA   ALA  72           HA       ALA  72   1.540   1.201  11.871
  554    HB1  ALA  72          1HB       ALA  72  -0.225  -0.225  12.778
  555    HB2  ALA  72          2HB       ALA  72  -0.875  -0.494  11.156
  556    HB3  ALA  72          3HB       ALA  72  -0.941   1.117  11.871
  557    H    LEU  73           H        LEU  73   1.102  -1.036   9.159
  558    HA   LEU  73           HA       LEU  73   2.300  -3.377  10.082
  559    HB2  LEU  73          2HB       LEU  73   1.272  -3.590   7.985
  560    HB3  LEU  73          1HB       LEU  73   1.835  -2.023   7.441
  561    HG   LEU  73           HG       LEU  73   4.158  -3.085   7.254
  562   HD11  LEU  73          1HD1      LEU  73   3.790  -5.088   8.566
  563   HD12  LEU  73          2HD1      LEU  73   4.265  -5.519   6.926
  564   HD13  LEU  73          3HD1      LEU  73   2.575  -5.664   7.417
  565   HD21  LEU  73          1HD2      LEU  73   3.711  -3.906   4.992
  566   HD22  LEU  73          2HD2      LEU  73   2.803  -2.435   5.339
  567   HD23  LEU  73          3HD2      LEU  73   1.985  -3.996   5.354
  568    H    VAL  74           H        VAL  74   3.640  -0.503   8.503
  569    HA   VAL  74           HA       VAL  74   6.341  -1.198   8.482
  570    HB   VAL  74           HB       VAL  74   5.087   1.584   8.667
  571   HG11  VAL  74          1HG1      VAL  74   7.970   0.865   7.968
  572   HG12  VAL  74          2HG1      VAL  74   7.434   1.704   9.423
  573   HG13  VAL  74          3HG1      VAL  74   7.258   2.480   7.851
  574   HG21  VAL  74          1HG2      VAL  74   4.423   0.334   6.636
  575   HG22  VAL  74          2HG2      VAL  74   6.115   0.045   6.237
  576   HG23  VAL  74          3HG2      VAL  74   5.472   1.688   6.212
  577    H    GLN  75           H        GLN  75   4.421   0.474  10.993
  578    HA   GLN  75           HA       GLN  75   6.632   1.094  12.696
  579    HB2  GLN  75          2HB       GLN  75   3.746   0.765  13.621
  580    HB3  GLN  75          1HB       GLN  75   5.003   1.748  14.359
  581    HG2  GLN  75          2HG       GLN  75   3.551   2.261  11.762
  582    HG3  GLN  75          1HG       GLN  75   3.425   3.184  13.253
  583   HE21  GLN  75          1HE2      GLN  75   4.153   3.952  10.485
  584   HE22  GLN  75          2HE2      GLN  75   5.675   4.757  10.616
  585    H    ARG  76           H        ARG  76   4.532  -1.713  12.389
  586    HA   ARG  76           HA       ARG  76   5.195  -3.057  14.812
  587    HB2  ARG  76          2HB       ARG  76   4.145  -4.170  12.173
  588    HB3  ARG  76          1HB       ARG  76   4.254  -5.099  13.664
  589    HG2  ARG  76          2HG       ARG  76   2.479  -2.699  13.145
  590    HG3  ARG  76          1HG       ARG  76   1.967  -4.375  13.327
  591    HD2  ARG  76          2HD       ARG  76   3.215  -2.632  15.480
  592    HD3  ARG  76          1HD       ARG  76   1.514  -3.094  15.370
  593    HE   ARG  76           HE       ARG  76   2.953  -5.455  15.415
  594   HH11  ARG  76          1HH1      ARG  76   2.500  -2.754  17.622
  595   HH12  ARG  76          2HH1      ARG  76   2.759  -3.730  19.033
  596   HH21  ARG  76          1HH2      ARG  76   3.281  -6.695  17.243
  597   HH22  ARG  76          2HH2      ARG  76   3.203  -5.966  18.817
  598    H    LEU  77           H        LEU  77   6.341  -3.429  11.433
  599    HA   LEU  77           HA       LEU  77   8.312  -5.394  12.148
  600    HB2  LEU  77          2HB       LEU  77   9.067  -5.232   9.771
  601    HB3  LEU  77          1HB       LEU  77   7.377  -5.623   9.990
  602    HG   LEU  77           HG       LEU  77   6.879  -3.154   9.487
  603   HD11  LEU  77          1HD1      LEU  77   9.732  -3.136   8.459
  604   HD12  LEU  77          2HD1      LEU  77   9.056  -2.137   9.757
  605   HD13  LEU  77          3HD1      LEU  77   8.499  -1.921   8.095
  606   HD21  LEU  77          1HD2      LEU  77   6.353  -4.957   7.962
  607   HD22  LEU  77          2HD2      LEU  77   7.986  -4.916   7.290
  608   HD23  LEU  77          3HD2      LEU  77   6.900  -3.541   7.069
  609    H    LYS  78           H        LYS  78   8.355  -1.920  12.127
  610    HA   LYS  78           HA       LYS  78  11.157  -1.469  12.080
  611    HB2  LYS  78          2HB       LYS  78   8.879   0.057  13.365
  612    HB3  LYS  78          1HB       LYS  78  10.540   0.596  13.515
  613    HG2  LYS  78          2HG       LYS  78   8.906   0.388  10.984
  614    HG3  LYS  78          1HG       LYS  78   9.451   1.856  11.788
  615    HD2  LYS  78          2HD       LYS  78  11.855   1.058  11.282
  616    HD3  LYS  78          1HD       LYS  78  11.127  -0.171  10.238
  617    HE2  LYS  78          2HE       LYS  78  11.698   1.664   8.820
  618    HE3  LYS  78          1HE       LYS  78   9.947   1.730   9.021
  619    HZ1  LYS  78          1HZ       LYS  78  10.238   3.470  10.662
  620    HZ2  LYS  78          2HZ       LYS  78  10.967   3.912   9.207
  621    HZ3  LYS  78          3HZ       LYS  78  11.920   3.392  10.498
  622    H    ALA  79           H        ALA  79   8.938  -2.474  14.616
  623    HA   ALA  79           HA       ALA  79  10.787  -2.341  16.795
  624    HB1  ALA  79          1HB       ALA  79   8.349  -2.276  17.153
  625    HB2  ALA  79          2HB       ALA  79   9.085  -3.609  18.046
  626    HB3  ALA  79          3HB       ALA  79   8.211  -3.928  16.545
  627    H    HIS  80           H        HIS  80  10.330  -4.571  14.201
  628    HA   HIS  80           HA       HIS  80  11.977  -6.685  15.419
  629    HB2  HIS  80          2HB       HIS  80  10.711  -6.452  12.637
  630    HB3  HIS  80          1HB       HIS  80  11.681  -7.824  13.173
  631    HD1  HIS  80           HD1      HIS  80  10.380  -9.706  14.132
  632    HD2  HIS  80           HD2      HIS  80   8.320  -6.126  14.455
  633    HE1  HIS  80           HE1      HIS  80   8.132 -10.307  15.070
  634    HE2  HIS  80           HE2      HIS  80   7.010  -8.091  15.463
  635    HA   PRO  81           HA       PRO  81  15.645  -4.432  14.222
  636    HB2  PRO  81          2HB       PRO  81  17.076  -7.079  14.174
  637    HB3  PRO  81          1HB       PRO  81  17.387  -5.653  15.188
  638    HG2  PRO  81          2HG       PRO  81  16.286  -7.841  16.239
  639    HG3  PRO  81          1HG       PRO  81  15.758  -6.218  16.742
  640    HD2  PRO  81          2HD       PRO  81  14.406  -8.118  14.810
  641    HD3  PRO  81          1HD       PRO  81  13.693  -7.140  16.119
  642    H    GLU  82           H        GLU  82  15.058  -7.494  12.518
  643    HA   GLU  82           HA       GLU  82  16.706  -7.259  10.292
  644    HB2  GLU  82          2HB       GLU  82  15.524  -9.331  10.899
  645    HB3  GLU  82          1HB       GLU  82  13.973  -8.581  10.547
  646    HG2  GLU  82          2HG       GLU  82  14.688  -8.383   8.136
  647    HG3  GLU  82          1HG       GLU  82  16.143  -9.293   8.544
  648    H    GLN  83           H        GLN  83  13.435  -6.000  10.790
  649    HA   GLN  83           HA       GLN  83  13.431  -4.756   8.095
  650    HB2  GLN  83          2HB       GLN  83  10.995  -5.499   9.779
  651    HB3  GLN  83          1HB       GLN  83  11.009  -4.991   8.093
  652    HG2  GLN  83          2HG       GLN  83  12.217  -7.093   7.502
  653    HG3  GLN  83          1HG       GLN  83  12.116  -7.599   9.193
  654   HE21  GLN  83          1HE2      GLN  83  10.939  -9.472   8.620
  655   HE22  GLN  83          2HE2      GLN  83   9.282  -9.408   8.137
  656    H    GLY  84           H        GLY  84  14.437  -3.807  10.829
  657    HA2  GLY  84          2HA       GLY  84  12.797  -1.343  11.115
  658    HA3  GLY  84          1HA       GLY  84  13.486  -2.214  12.477
  659    H    GLY  85           H        GLY  85  16.064  -2.721  11.246
  660    HA2  GLY  85          2HA       GLY  85  17.239  -0.075  10.824
  661    HA3  GLY  85          1HA       GLY  85  17.621  -0.853  12.353
  662    H    ALA  86           H        ALA  86  17.771  -3.531  11.419
  663    HA   ALA  86           HA       ALA  86  20.380  -3.772  10.404
  664    HB1  ALA  86          1HB       ALA  86  19.324  -5.585  11.685
  665    HB2  ALA  86          2HB       ALA  86  19.873  -6.183  10.120
  666    HB3  ALA  86          3HB       ALA  86  18.157  -5.856  10.387
  667    H    ALA  87           H        ALA  87  20.850  -2.864   8.507
  668    HA   ALA  87           HA       ALA  87  19.076  -2.558   6.314
  669    HB1  ALA  87          1HB       ALA  87  20.879  -0.953   6.768
  670    HB2  ALA  87          2HB       ALA  87  21.035  -1.618   5.140
  671    HB3  ALA  87          3HB       ALA  87  22.090  -2.194   6.435
  672    H    LEU  88           H        LEU  88  18.364  -4.451   5.425
  673    HA   LEU  88           HA       LEU  88  19.978  -6.673   4.650
  674    HB2  LEU  88          2HB       LEU  88  17.413  -6.573   4.964
  675    HB3  LEU  88          1HB       LEU  88  17.346  -5.793   3.402
  676    HG   LEU  88           HG       LEU  88  16.782  -8.244   3.397
  677   HD11  LEU  88          1HD1      LEU  88  17.974  -8.852   1.370
  678   HD12  LEU  88          2HD1      LEU  88  19.131  -7.542   1.632
  679   HD13  LEU  88          3HD1      LEU  88  17.435  -7.175   1.309
  680   HD21  LEU  88          1HD2      LEU  88  19.727  -8.657   3.976
  681   HD22  LEU  88          2HD2      LEU  88  18.565  -9.913   3.539
  682   HD23  LEU  88          3HD2      LEU  88  18.377  -9.036   5.055
  683    H    GLU  89           H        GLU  89  21.643  -6.282   3.345
  684    HA   GLU  89           HA       GLU  89  21.394  -4.729   0.877
  685    HB2  GLU  89          2HB       GLU  89  22.006  -3.056   2.558
  686    HB3  GLU  89          1HB       GLU  89  23.342  -4.056   3.122
  687    HG2  GLU  89          2HG       GLU  89  24.522  -3.729   1.002
  688    HG3  GLU  89          1HG       GLU  89  23.164  -2.813   0.351
  689   H282  PNS 101          3H28      PNS 136  -0.200 -10.578  -1.930
  690   H281  PNS 101          2H28      PNS 136  -0.476 -10.012  -3.584
  691   H303  PNS 101          3H51      PNS 136   1.929  -9.291  -1.923
  692   H302  PNS 101          2H51      PNS 136   3.136  -9.543  -3.176
  693   H301  PNS 101          1H51      PNS 136   1.611  -8.753  -3.584
  694   H313  PNS 101          3H52      PNS 136   1.265 -12.157  -5.020
  695   H312  PNS 101          2H52      PNS 136   2.780 -11.242  -4.970
  696   H311  PNS 101          1H52      PNS 136   1.261 -10.425  -5.389
  697    H32  PNS 101           H32      PNS 136   1.968 -11.732  -1.346
  698    H33  PNS 101           H33      PNS 136   0.563 -13.226  -2.414
  699    H36  PNS 101           H36      PNS 136   3.207 -13.628  -3.947
  700   H372  PNS 101          3H37      PNS 136   5.983 -12.684  -3.543
  701   H371  PNS 101          2H37      PNS 136   5.518 -14.350  -3.912
  702   H382  PNS 101          3H38      PNS 136   4.706 -13.744  -6.092
  703   H381  PNS 101          2H38      PNS 136   4.816 -12.025  -5.726
  704    H41  PNS 101           H41      PNS 136   6.196 -11.153  -6.830
  705   H422  PNS 101          3H42      PNS 136   8.170 -12.089  -8.451
  706   H421  PNS 101          2H42      PNS 136   8.954 -11.646  -6.932
  707   H431  PNS 101          2H43      PNS 136   7.157  -9.847  -8.604
  708   H432  PNS 101          3H43      PNS 136   7.923  -9.394  -7.072
  709    H44  PNS 101           H44      PNS 136   9.391  -8.240  -9.179
  Start of MODEL   13
    1    H1   MET   1          1H        MET   1   3.721  15.872  -0.333
    2    H2   MET   1          2H        MET   1   2.662  16.875   0.513
    3    H3   MET   1          3H        MET   1   2.146  16.103  -0.898
    4    HA   MET   1           HA       MET   1   2.961  14.754   1.582
    5    HB2  MET   1          2HB       MET   1   0.169  15.193   0.436
    6    HB3  MET   1          1HB       MET   1   0.542  14.192   1.839
    7    HG2  MET   1          2HG       MET   1   0.809  17.195   1.592
    8    HG3  MET   1          1HG       MET   1  -0.271  16.293   2.653
    9    HE1  MET   1          1HE       MET   1   2.390  14.827   5.260
   10    HE2  MET   1          2HE       MET   1   1.720  14.020   3.840
   11    HE3  MET   1          3HE       MET   1   0.666  14.945   4.909
   12    H    LEU   2           H        LEU   2   3.213  12.612   1.417
   13    HA   LEU   2           HA       LEU   2   3.740  11.544  -1.196
   14    HB2  LEU   2          2HB       LEU   2   4.721   9.620  -0.046
   15    HB3  LEU   2          1HB       LEU   2   5.322  11.117   0.631
   16    HG   LEU   2           HG       LEU   2   3.048   9.666   2.026
   17   HD11  LEU   2          1HD1      LEU   2   4.619   8.392   3.399
   18   HD12  LEU   2          2HD1      LEU   2   5.970   8.969   2.417
   19   HD13  LEU   2          3HD1      LEU   2   4.733   7.933   1.700
   20   HD21  LEU   2          1HD2      LEU   2   5.289  11.432   3.093
   21   HD22  LEU   2          2HD2      LEU   2   3.984  10.729   4.055
   22   HD23  LEU   2          3HD2      LEU   2   3.617  11.930   2.820
   23    H    GLU   3           H        GLU   3   0.976  11.488   0.760
   24    HA   GLU   3           HA       GLU   3  -0.116   8.934   0.256
   25    HB2  GLU   3          2HB       GLU   3  -1.687  11.538   0.618
   26    HB3  GLU   3          1HB       GLU   3  -2.328   9.910   0.789
   27    HG2  GLU   3          2HG       GLU   3  -2.044  10.494   3.006
   28    HG3  GLU   3          1HG       GLU   3  -0.522   9.678   2.687
   29    H    SER   4           H        SER   4  -0.418  12.036  -1.459
   30    HA   SER   4           HA       SER   4  -2.110  11.284  -3.559
   31    HB2  SER   4          2HB       SER   4   0.146  13.338  -3.691
   32    HB3  SER   4          1HB       SER   4  -1.345  13.327  -4.638
   33    HG   SER   4           HG       SER   4  -2.364  13.402  -2.422
   34    H    LYS   5           H        LYS   5   1.345  10.807  -3.088
   35    HA   LYS   5           HA       LYS   5   2.036  10.163  -5.794
   36    HB2  LYS   5          2HB       LYS   5   3.504   9.837  -3.151
   37    HB3  LYS   5          1HB       LYS   5   4.217   9.361  -4.683
   38    HG2  LYS   5          2HG       LYS   5   3.208  12.189  -4.419
   39    HG3  LYS   5          1HG       LYS   5   4.697  11.760  -3.582
   40    HD2  LYS   5          2HD       LYS   5   5.261  12.716  -5.748
   41    HD3  LYS   5          1HD       LYS   5   5.676  11.004  -5.766
   42    HE2  LYS   5          2HE       LYS   5   3.566  10.548  -7.036
   43    HE3  LYS   5          1HE       LYS   5   3.226  12.277  -7.052
   44    HZ1  LYS   5          1HZ       LYS   5   4.238  11.474  -9.093
   45    HZ2  LYS   5          2HZ       LYS   5   5.614  11.002  -8.238
   46    HZ3  LYS   5          3HZ       LYS   5   5.197  12.637  -8.334
   47    H    LEU   6           H        LEU   6   1.534   8.168  -2.828
   48    HA   LEU   6           HA       LEU   6   2.123   5.694  -4.097
   49    HB2  LEU   6          2HB       LEU   6   1.307   4.586  -2.073
   50    HB3  LEU   6          1HB       LEU   6   2.400   5.898  -1.709
   51    HG   LEU   6           HG       LEU   6   0.088   7.236  -1.328
   52   HD11  LEU   6          1HD1      LEU   6  -0.735   4.398  -0.643
   53   HD12  LEU   6          2HD1      LEU   6  -1.402   5.394  -1.938
   54   HD13  LEU   6          3HD1      LEU   6  -1.637   5.869  -0.259
   55   HD21  LEU   6          1HD2      LEU   6   1.316   5.408   0.766
   56   HD22  LEU   6          2HD2      LEU   6   0.282   6.806   1.086
   57   HD23  LEU   6          3HD2      LEU   6   1.863   7.034   0.343
   58    H    ILE   7           H        ILE   7  -0.879   7.489  -3.621
   59    HA   ILE   7           HA       ILE   7  -2.662   5.492  -4.618
   60    HB   ILE   7           HB       ILE   7  -3.005   8.526  -4.650
   61   HG12  ILE   7          2HG1      ILE   7  -4.206   6.591  -2.616
   62   HG13  ILE   7          1HG1      ILE   7  -2.681   7.427  -2.340
   63   HG21  ILE   7          1HG2      ILE   7  -4.529   7.397  -6.247
   64   HG22  ILE   7          2HG2      ILE   7  -5.431   8.086  -4.894
   65   HG23  ILE   7          3HG2      ILE   7  -5.123   6.347  -4.954
   66   HD11  ILE   7          1HD1      ILE   7  -3.836   9.588  -2.504
   67   HD12  ILE   7          2HD1      ILE   7  -4.516   8.567  -1.237
   68   HD13  ILE   7          3HD1      ILE   7  -5.365   8.744  -2.771
   69    H    ASN   8           H        ASN   8  -1.322   8.462  -6.131
   70    HA   ASN   8           HA       ASN   8  -2.538   8.259  -8.617
   71    HB2  ASN   8          2HB       ASN   8  -1.476  10.332  -7.866
   72    HB3  ASN   8          1HB       ASN   8   0.112   9.580  -7.900
   73   HD21  ASN   8          1HD2      ASN   8   1.182   9.360  -9.865
   74   HD22  ASN   8          2HD2      ASN   8   0.625  10.088 -11.331
   75    H    HIS   9           H        HIS   9   0.420   6.795  -7.490
   76    HA   HIS   9           HA       HIS   9   1.802   6.250  -9.806
   77    HB2  HIS   9          2HB       HIS   9   2.628   5.864  -7.475
   78    HB3  HIS   9          1HB       HIS   9   1.611   4.432  -7.361
   79    HD1  HIS   9           HD1      HIS   9   4.971   5.220  -7.839
   80    HD2  HIS   9           HD2      HIS   9   2.402   2.631  -9.805
   81    HE1  HIS   9           HE1      HIS   9   6.456   3.560  -8.972
   82    HE2  HIS   9           HE2      HIS   9   4.860   1.881  -9.949
   83    H    ILE  10           H        ILE  10  -0.258   3.795  -8.145
   84    HA   ILE  10           HA       ILE  10  -0.506   2.317 -10.632
   85    HB   ILE  10           HB       ILE  10  -2.020   0.786  -9.138
   86   HG12  ILE  10          2HG1      ILE  10  -1.307   0.768  -6.712
   87   HG13  ILE  10          1HG1      ILE  10  -0.524   2.313  -6.955
   88   HG21  ILE  10          1HG2      ILE  10  -0.035  -0.488  -8.383
   89   HG22  ILE  10          2HG2      ILE  10   0.981   0.913  -8.739
   90   HG23  ILE  10          3HG2      ILE  10   0.119   0.094 -10.043
   91   HD11  ILE  10          1HD1      ILE  10  -3.467   1.730  -7.129
   92   HD12  ILE  10          2HD1      ILE  10  -2.714   3.291  -7.459
   93   HD13  ILE  10          3HD1      ILE  10  -2.618   2.591  -5.842
   94    H    ALA  11           H        ALA  11  -2.459   4.605  -8.821
   95    HA   ALA  11           HA       ALA  11  -5.027   4.190  -9.823
   96    HB1  ALA  11          1HB       ALA  11  -5.426   6.579  -9.438
   97    HB2  ALA  11          2HB       ALA  11  -3.688   6.878  -9.368
   98    HB3  ALA  11          3HB       ALA  11  -4.464   5.900  -8.123
   99    H    THR  12           H        THR  12  -2.174   5.270 -11.512
  100    HA   THR  12           HA       THR  12  -3.308   6.516 -13.767
  101    HB   THR  12           HB       THR  12  -0.743   4.874 -13.694
  102    HG1  THR  12           HG1      THR  12  -1.378   7.028 -12.311
  103   HG21  THR  12          1HG2      THR  12   0.001   6.384 -15.514
  104   HG22  THR  12          2HG2      THR  12  -1.575   7.181 -15.509
  105   HG23  THR  12          3HG2      THR  12  -1.445   5.490 -15.998
  106    H    GLN  13           H        GLN  13  -2.522   3.125 -13.115
  107    HA   GLN  13           HA       GLN  13  -3.658   2.226 -15.692
  108    HB2  GLN  13          2HB       GLN  13  -2.563   0.036 -15.137
  109    HB3  GLN  13          1HB       GLN  13  -1.434   1.382 -15.255
  110    HG2  GLN  13          2HG       GLN  13  -1.450   1.535 -12.745
  111    HG3  GLN  13          1HG       GLN  13  -2.444   0.086 -12.704
  112   HE21  GLN  13          1HE2      GLN  13   0.721   1.363 -13.380
  113   HE22  GLN  13          2HE2      GLN  13   1.551  -0.144 -13.367
  114    H    PHE  14           H        PHE  14  -4.442   2.395 -12.377
  115    HA   PHE  14           HA       PHE  14  -6.282   0.125 -12.369
  116    HB2  PHE  14          2HB       PHE  14  -4.907   1.768 -10.251
  117    HB3  PHE  14          1HB       PHE  14  -6.507   1.169  -9.825
  118    HD1  PHE  14           HD1      PHE  14  -6.003  -0.491  -8.196
  119    HD2  PHE  14           HD2      PHE  14  -3.883  -0.514 -11.912
  120    HE1  PHE  14           HE1      PHE  14  -5.057  -2.684  -7.666
  121    HE2  PHE  14           HE2      PHE  14  -2.948  -2.704 -11.356
  122    HZ   PHE  14           HZ       PHE  14  -3.536  -3.794  -9.239
  123    H    LEU  15           H        LEU  15  -6.321   3.638 -12.432
  124    HA   LEU  15           HA       LEU  15  -9.299   3.668 -12.247
  125    HB2  LEU  15          2HB       LEU  15  -7.464   5.765 -11.042
  126    HB3  LEU  15          1HB       LEU  15  -9.209   5.660 -10.887
  127    HG   LEU  15           HG       LEU  15  -7.192   3.765  -9.610
  128   HD11  LEU  15          1HD1      LEU  15  -7.768   4.814  -7.531
  129   HD12  LEU  15          2HD1      LEU  15  -8.943   5.872  -8.303
  130   HD13  LEU  15          3HD1      LEU  15  -7.222   6.042  -8.657
  131   HD21  LEU  15          1HD2      LEU  15  -9.108   2.820  -8.377
  132   HD22  LEU  15          2HD2      LEU  15  -9.282   2.572 -10.110
  133   HD23  LEU  15          3HD2      LEU  15 -10.228   3.826  -9.304
  134    H    ASP  16           H        ASP  16  -7.071   4.013 -14.452
  135    HA   ASP  16           HA       ASP  16  -6.907   5.064 -16.467
  136    HB2  ASP  16          2HB       ASP  16  -9.553   5.153 -16.178
  137    HB3  ASP  16          1HB       ASP  16  -9.297   6.850 -15.866
  138    H    GLY  17           H        GLY  17  -5.909   6.241 -13.813
  139    HA2  GLY  17          2HA       GLY  17  -4.241   7.900 -13.606
  140    HA3  GLY  17          1HA       GLY  17  -5.001   8.841 -14.877
  141    H    GLU  18           H        GLU  18  -7.493   7.874 -12.920
  142    HA   GLU  18           HA       GLU  18  -7.651  10.534 -11.703
  143    HB2  GLU  18          2HB       GLU  18  -9.956  10.239 -11.627
  144    HB3  GLU  18          1HB       GLU  18  -9.585   9.142 -12.960
  145    HG2  GLU  18          2HG       GLU  18  -9.692   7.232 -11.439
  146    HG3  GLU  18          1HG       GLU  18  -9.992   8.300 -10.071
  147    H    LYS  19           H        LYS  19  -7.723  10.896  -9.440
  148    HA   LYS  19           HA       LYS  19  -7.344   8.539  -7.653
  149    HB2  LYS  19          2HB       LYS  19  -6.848  11.462  -6.962
  150    HB3  LYS  19          1HB       LYS  19  -6.485  10.044  -5.975
  151    HG2  LYS  19          2HG       LYS  19  -4.936   9.329  -7.935
  152    HG3  LYS  19          1HG       LYS  19  -5.102  10.999  -8.484
  153    HD2  LYS  19          2HD       LYS  19  -4.063  10.094  -5.789
  154    HD3  LYS  19          1HD       LYS  19  -3.080  10.707  -7.121
  155    HE2  LYS  19          2HE       LYS  19  -5.117  12.247  -5.482
  156    HE3  LYS  19          1HE       LYS  19  -3.372  12.493  -5.508
  157    HZ1  LYS  19          1HZ       LYS  19  -5.273  13.006  -7.723
  158    HZ2  LYS  19          2HZ       LYS  19  -3.599  13.150  -7.859
  159    HZ3  LYS  19          3HZ       LYS  19  -4.452  14.166  -6.816
  160    H    ASP  20           H        ASP  20  -9.343   7.886  -7.225
  161    HA   ASP  20           HA       ASP  20 -11.067   9.235  -5.452
  162    HB2  ASP  20          2HB       ASP  20 -11.620  10.523  -7.599
  163    HB3  ASP  20          1HB       ASP  20 -12.235   9.019  -8.275
  164    H    GLY  21           H        GLY  21 -12.386   7.709  -4.469
  165    HA2  GLY  21          2HA       GLY  21 -13.402   5.664  -4.050
  166    HA3  GLY  21          1HA       GLY  21 -13.033   5.142  -5.688
  167    H    LEU  22           H        LEU  22 -10.159   5.864  -5.267
  168    HA   LEU  22           HA       LEU  22  -9.191   3.842  -3.346
  169    HB2  LEU  22          2HB       LEU  22  -8.787   3.308  -5.802
  170    HB3  LEU  22          1HB       LEU  22  -7.926   4.808  -5.940
  171    HG   LEU  22           HG       LEU  22  -6.224   3.948  -4.289
  172   HD11  LEU  22          1HD1      LEU  22  -7.579   1.259  -4.656
  173   HD12  LEU  22          2HD1      LEU  22  -7.610   2.225  -3.183
  174   HD13  LEU  22          3HD1      LEU  22  -6.084   1.580  -3.775
  175   HD21  LEU  22          1HD2      LEU  22  -6.569   2.346  -6.841
  176   HD22  LEU  22          2HD2      LEU  22  -5.077   2.505  -5.911
  177   HD23  LEU  22          3HD2      LEU  22  -5.782   3.922  -6.684
  178    H    ASP  23           H        ASP  23  -8.553   5.064  -1.666
  179    HA   ASP  23           HA       ASP  23  -6.629   7.239  -2.079
  180    HB2  ASP  23          2HB       ASP  23  -9.031   7.564  -0.202
  181    HB3  ASP  23          1HB       ASP  23  -7.716   8.713  -0.402
  182    H    SER  24           H        SER  24  -5.818   7.897   0.244
  183    HA   SER  24           HA       SER  24  -4.539   5.592   1.281
  184    HB2  SER  24          2HB       SER  24  -3.707   7.302   3.029
  185    HB3  SER  24          1HB       SER  24  -3.351   7.674   1.341
  186    HG   SER  24           HG       SER  24  -4.228   9.433   2.630
  187    H    GLN  25           H        GLN  25  -7.138   7.684   2.612
  188    HA   GLN  25           HA       GLN  25  -7.439   5.978   4.979
  189    HB2  GLN  25          2HB       GLN  25  -8.848   8.571   4.224
  190    HB3  GLN  25          1HB       GLN  25  -9.060   7.710   5.753
  191    HG2  GLN  25          2HG       GLN  25  -6.658   8.027   6.257
  192    HG3  GLN  25          1HG       GLN  25  -6.459   8.902   4.740
  193   HE21  GLN  25          1HE2      GLN  25  -7.720   9.041   7.980
  194   HE22  GLN  25          2HE2      GLN  25  -8.047  10.737   7.992
  195    H    THR  26           H        THR  26  -8.882   6.329   1.895
  196    HA   THR  26           HA       THR  26 -11.442   5.219   2.344
  197    HB   THR  26           HB       THR  26  -9.652   5.170  -0.124
  198    HG1  THR  26           HG1      THR  26 -11.012   6.918  -0.738
  199   HG21  THR  26          1HG2      THR  26 -11.737   4.747  -1.416
  200   HG22  THR  26          2HG2      THR  26 -12.612   4.506   0.103
  201   HG23  THR  26          3HG2      THR  26 -11.325   3.391  -0.361
  202    HA   PRO  27           HA       PRO  27 -10.214   1.001   3.355
  203    HB2  PRO  27          2HB       PRO  27 -12.612  -0.251   3.127
  204    HB3  PRO  27          1HB       PRO  27 -12.282   0.895   4.443
  205    HG2  PRO  27          2HG       PRO  27 -13.720   1.398   1.843
  206    HG3  PRO  27          1HG       PRO  27 -14.223   1.833   3.491
  207    HD2  PRO  27          2HD       PRO  27 -13.041   3.631   1.877
  208    HD3  PRO  27          1HD       PRO  27 -12.729   3.626   3.623
  209    H    LEU  28           H        LEU  28  -8.881   0.126   1.851
  210    HA   LEU  28           HA       LEU  28  -9.488   0.075  -0.950
  211    HB2  LEU  28          2HB       LEU  28  -7.170  -1.357   0.408
  212    HB3  LEU  28          1HB       LEU  28  -7.267  -0.818  -1.262
  213    HG   LEU  28           HG       LEU  28  -6.925   0.907   1.215
  214   HD11  LEU  28          1HD1      LEU  28  -5.104   0.530  -1.176
  215   HD12  LEU  28          2HD1      LEU  28  -4.876  -0.158   0.436
  216   HD13  LEU  28          3HD1      LEU  28  -4.815   1.588   0.210
  217   HD21  LEU  28          1HD2      LEU  28  -8.459   2.110  -0.199
  218   HD22  LEU  28          2HD2      LEU  28  -7.456   1.834  -1.618
  219   HD23  LEU  28          3HD2      LEU  28  -6.875   2.868  -0.319
  220    H    PHE  29           H        PHE  29  -9.644  -2.250   1.668
  221    HA   PHE  29           HA       PHE  29 -10.044  -4.515  -0.140
  222    HB2  PHE  29          2HB       PHE  29  -9.121  -4.218   2.617
  223    HB3  PHE  29          1HB       PHE  29 -10.431  -5.392   2.562
  224    HD1  PHE  29           HD1      PHE  29  -7.339  -4.460   0.701
  225    HD2  PHE  29           HD2      PHE  29  -9.885  -7.617   2.051
  226    HE1  PHE  29           HE1      PHE  29  -5.816  -6.098  -0.229
  227    HE2  PHE  29           HE2      PHE  29  -8.335  -9.266   1.110
  228    HZ   PHE  29           HZ       PHE  29  -6.306  -8.513  -0.046
  229    H    GLU  30           H        GLU  30 -11.905  -2.623   2.171
  230    HA   GLU  30           HA       GLU  30 -14.256  -4.189   2.190
  231    HB2  GLU  30          2HB       GLU  30 -13.644  -2.378   3.826
  232    HB3  GLU  30          1HB       GLU  30 -13.976  -1.181   2.590
  233    HG2  GLU  30          2HG       GLU  30 -16.150  -3.081   3.450
  234    HG3  GLU  30          1HG       GLU  30 -15.739  -1.700   4.459
  235    H    LEU  31           H        LEU  31 -13.129  -1.594   0.043
  236    HA   LEU  31           HA       LEU  31 -15.445  -1.879  -1.750
  237    HB2  LEU  31          2HB       LEU  31 -12.931  -0.197  -2.081
  238    HB3  LEU  31          1HB       LEU  31 -14.403  -0.075  -3.040
  239    HG   LEU  31           HG       LEU  31 -14.080   0.638  -0.107
  240   HD11  LEU  31          1HD1      LEU  31 -14.636   2.411  -2.492
  241   HD12  LEU  31          2HD1      LEU  31 -13.114   2.285  -1.602
  242   HD13  LEU  31          3HD1      LEU  31 -14.548   2.922  -0.802
  243   HD21  LEU  31          1HD2      LEU  31 -16.304  -0.336  -0.416
  244   HD22  LEU  31          2HD2      LEU  31 -16.625   0.739  -1.780
  245   HD23  LEU  31          3HD2      LEU  31 -16.434   1.402  -0.154
  246    H    ASN  32           H        ASN  32 -12.210  -3.008  -1.377
  247    HA   ASN  32           HA       ASN  32 -10.869  -4.478  -2.446
  248    HB2  ASN  32          2HB       ASN  32 -13.132  -5.773  -2.321
  249    HB3  ASN  32          1HB       ASN  32 -13.273  -5.452  -4.039
  250   HD21  ASN  32          1HD2      ASN  32 -10.504  -5.900  -4.766
  251   HD22  ASN  32          2HD2      ASN  32 -10.194  -7.576  -4.537
  252    H    ILE  33           H        ILE  33 -10.612  -2.003  -3.384
  253    HA   ILE  33           HA       ILE  33 -10.887  -1.801  -6.258
  254    HB   ILE  33           HB       ILE  33  -9.215  -0.031  -4.420
  255   HG12  ILE  33          2HG1      ILE  33 -11.592  -0.066  -3.658
  256   HG13  ILE  33          1HG1      ILE  33 -11.157   1.506  -4.322
  257   HG21  ILE  33          1HG2      ILE  33  -8.610   0.259  -6.778
  258   HG22  ILE  33          2HG2      ILE  33  -9.489   1.681  -6.216
  259   HG23  ILE  33          3HG2      ILE  33 -10.307   0.482  -7.219
  260   HD11  ILE  33          1HD1      ILE  33 -12.730  -0.637  -5.745
  261   HD12  ILE  33          2HD1      ILE  33 -12.296   0.941  -6.411
  262   HD13  ILE  33          3HD1      ILE  33 -13.375   0.836  -5.022
  263    H    VAL  34           H        VAL  34  -8.067  -2.066  -4.059
  264    HA   VAL  34           HA       VAL  34  -6.219  -2.206  -6.309
  265    HB   VAL  34           HB       VAL  34  -5.656  -0.846  -4.284
  266   HG11  VAL  34          1HG1      VAL  34  -5.269  -3.505  -2.852
  267   HG12  VAL  34          2HG1      VAL  34  -6.547  -2.332  -2.512
  268   HG13  VAL  34          3HG1      VAL  34  -4.859  -1.912  -2.205
  269   HG21  VAL  34          1HG2      VAL  34  -3.640  -3.049  -4.890
  270   HG22  VAL  34          2HG2      VAL  34  -3.258  -1.500  -4.133
  271   HG23  VAL  34          3HG2      VAL  34  -3.844  -1.548  -5.798
  272    H    ASP  35           H        ASP  35  -4.872  -3.945  -6.812
  273    HA   ASP  35           HA       ASP  35  -5.889  -6.602  -6.069
  274    HB2  ASP  35          2HB       ASP  35  -4.177  -5.681  -8.416
  275    HB3  ASP  35          1HB       ASP  35  -4.570  -7.369  -8.106
  276    H    SER  36           H        SER  36  -4.376  -8.328  -5.953
  277    HA   SER  36           HA       SER  36  -2.382  -8.126  -4.001
  278    HB2  SER  36          2HB       SER  36  -3.602 -10.211  -5.648
  279    HB3  SER  36          1HB       SER  36  -1.875 -10.501  -5.512
  280    H    ALA  37           H        ALA  37  -2.202  -8.138  -7.533
  281    HA   ALA  37           HA       ALA  37   0.608  -8.419  -7.825
  282    HB1  ALA  37          1HB       ALA  37  -1.402  -7.221  -9.763
  283    HB2  ALA  37          2HB       ALA  37  -0.976  -8.927  -9.642
  284    HB3  ALA  37          3HB       ALA  37   0.236  -7.759 -10.168
  285    H    ALA  38           H        ALA  38  -1.436  -5.616  -7.220
  286    HA   ALA  38           HA       ALA  38   0.594  -3.654  -7.961
  287    HB1  ALA  38          1HB       ALA  38  -1.758  -3.103  -8.358
  288    HB2  ALA  38          2HB       ALA  38  -1.058  -1.973  -7.198
  289    HB3  ALA  38          3HB       ALA  38  -2.114  -3.274  -6.641
  290    H    ILE  39           H        ILE  39  -0.208  -5.496  -5.194
  291    HA   ILE  39           HA       ILE  39   0.304  -3.732  -3.078
  292    HB   ILE  39           HB       ILE  39   0.651  -6.749  -3.226
  293   HG12  ILE  39          2HG1      ILE  39  -1.646  -6.041  -3.608
  294   HG13  ILE  39          1HG1      ILE  39  -1.542  -6.785  -2.021
  295   HG21  ILE  39          1HG2      ILE  39   0.719  -5.005  -0.735
  296   HG22  ILE  39          2HG2      ILE  39   2.040  -5.989  -1.373
  297   HG23  ILE  39          3HG2      ILE  39   0.594  -6.766  -0.723
  298   HD11  ILE  39          1HD1      ILE  39  -1.721  -3.832  -2.613
  299   HD12  ILE  39          2HD1      ILE  39  -1.551  -4.539  -1.004
  300   HD13  ILE  39          3HD1      ILE  39  -2.988  -4.872  -1.964
  301    H    PHE  40           H        PHE  40   2.561  -5.855  -4.875
  302    HA   PHE  40           HA       PHE  40   4.881  -5.352  -3.371
  303    HB2  PHE  40          2HB       PHE  40   4.787  -7.182  -5.010
  304    HB3  PHE  40          1HB       PHE  40   4.624  -6.035  -6.337
  305    HD1  PHE  40           HD1      PHE  40   6.960  -6.590  -3.418
  306    HD2  PHE  40           HD2      PHE  40   6.605  -5.699  -7.600
  307    HE1  PHE  40           HE1      PHE  40   9.407  -6.486  -3.609
  308    HE2  PHE  40           HE2      PHE  40   9.061  -5.609  -7.777
  309    HZ   PHE  40           HZ       PHE  40  10.461  -6.001  -5.784
  310    H    ASP  41           H        ASP  41   3.270  -3.387  -5.749
  311    HA   ASP  41           HA       ASP  41   5.422  -1.555  -6.233
  312    HB2  ASP  41          2HB       ASP  41   3.595  -1.927  -7.865
  313    HB3  ASP  41          1HB       ASP  41   2.423  -1.278  -6.718
  314    H    LEU  42           H        LEU  42   2.430  -1.469  -4.244
  315    HA   LEU  42           HA       LEU  42   2.854   0.984  -2.921
  316    HB2  LEU  42          2HB       LEU  42   1.291  -1.501  -2.120
  317    HB3  LEU  42          1HB       LEU  42   1.420  -0.145  -1.023
  318    HG   LEU  42           HG       LEU  42  -0.714   0.013  -2.121
  319   HD11  LEU  42          1HD1      LEU  42   0.395   2.147  -1.749
  320   HD12  LEU  42          2HD1      LEU  42  -0.633   2.203  -3.178
  321   HD13  LEU  42          3HD1      LEU  42   1.120   2.076  -3.360
  322   HD21  LEU  42          1HD2      LEU  42  -1.031   0.147  -4.549
  323   HD22  LEU  42          2HD2      LEU  42  -0.289  -1.382  -4.086
  324   HD23  LEU  42          3HD2      LEU  42   0.701  -0.108  -4.800
  325    H    VAL  43           H        VAL  43   4.077  -2.246  -2.310
  326    HA   VAL  43           HA       VAL  43   5.351  -1.952   0.176
  327    HB   VAL  43           HB       VAL  43   6.012  -3.694  -2.234
  328   HG11  VAL  43          1HG1      VAL  43   8.130  -3.356  -1.020
  329   HG12  VAL  43          2HG1      VAL  43   7.564  -5.014  -0.834
  330   HG13  VAL  43          3HG1      VAL  43   7.351  -3.858   0.481
  331   HG21  VAL  43          1HG2      VAL  43   4.846  -4.453   0.441
  332   HG22  VAL  43          2HG2      VAL  43   5.068  -5.510  -0.952
  333   HG23  VAL  43          3HG2      VAL  43   3.914  -4.182  -1.028
  334    H    ASP  44           H        ASP  44   6.604  -1.571  -3.158
  335    HA   ASP  44           HA       ASP  44   9.257  -0.955  -2.559
  336    HB2  ASP  44          2HB       ASP  44   8.362  -1.458  -4.857
  337    HB3  ASP  44          1HB       ASP  44   7.663   0.142  -4.910
  338    H    PHE  45           H        PHE  45   6.404   1.077  -2.769
  339    HA   PHE  45           HA       PHE  45   7.710   3.550  -2.625
  340    HB2  PHE  45          2HB       PHE  45   5.340   3.195  -3.415
  341    HB3  PHE  45          1HB       PHE  45   4.863   2.884  -1.750
  342    HD1  PHE  45           HD1      PHE  45   6.010   5.475  -4.139
  343    HD2  PHE  45           HD2      PHE  45   4.634   4.735  -0.146
  344    HE1  PHE  45           HE1      PHE  45   5.667   7.885  -3.797
  345    HE2  PHE  45           HE2      PHE  45   4.303   7.147   0.171
  346    HZ   PHE  45           HZ       PHE  45   4.815   8.719  -1.640
  347    H    LEU  46           H        LEU  46   5.967   1.638  -0.132
  348    HA   LEU  46           HA       LEU  46   6.411   3.367   2.055
  349    HB2  LEU  46          2HB       LEU  46   5.849   0.384   2.091
  350    HB3  LEU  46          1HB       LEU  46   5.708   1.451   3.483
  351    HG   LEU  46           HG       LEU  46   4.001   1.556   0.971
  352   HD11  LEU  46          1HD1      LEU  46   2.189   0.780   2.391
  353   HD12  LEU  46          2HD1      LEU  46   3.282   0.671   3.772
  354   HD13  LEU  46          3HD1      LEU  46   3.516  -0.377   2.369
  355   HD21  LEU  46          1HD2      LEU  46   3.799   3.284   3.474
  356   HD22  LEU  46          2HD2      LEU  46   2.630   3.250   2.150
  357   HD23  LEU  46          3HD2      LEU  46   4.268   3.830   1.860
  358    H    ARG  47           H        ARG  47   8.310   0.646   0.878
  359    HA   ARG  47           HA       ARG  47   9.939   0.341   3.219
  360    HB2  ARG  47          2HB       ARG  47  11.088  -1.380   2.007
  361    HB3  ARG  47          1HB       ARG  47   9.401  -1.503   1.529
  362    HG2  ARG  47          2HG       ARG  47   9.915  -0.363  -0.592
  363    HG3  ARG  47          1HG       ARG  47  11.598  -0.191  -0.107
  364    HD2  ARG  47          2HD       ARG  47  11.775  -2.687  -0.032
  365    HD3  ARG  47          1HD       ARG  47  10.121  -2.786  -0.647
  366    HE   ARG  47           HE       ARG  47  10.872  -1.733  -2.694
  367   HH11  ARG  47          1HH1      ARG  47  13.487  -2.881  -0.639
  368   HH12  ARG  47          2HH1      ARG  47  14.630  -2.932  -1.941
  369   HH21  ARG  47          1HH2      ARG  47  12.407  -1.740  -4.358
  370   HH22  ARG  47          2HH2      ARG  47  14.024  -2.292  -4.037
  371    H    GLN  48           H        GLN  48  10.100   2.102   0.226
  372    HA   GLN  48           HA       GLN  48  12.855   2.926   0.396
  373    HB2  GLN  48          2HB       GLN  48  11.604   2.587  -1.757
  374    HB3  GLN  48          1HB       GLN  48  10.559   3.935  -1.340
  375    HG2  GLN  48          2HG       GLN  48  12.424   5.500  -1.524
  376    HG3  GLN  48          1HG       GLN  48  13.548   4.168  -1.784
  377   HE21  GLN  48          1HE2      GLN  48  10.359   4.191  -3.288
  378   HE22  GLN  48          2HE2      GLN  48  10.925   4.453  -4.894
  379    H    GLU  49           H        GLU  49   9.667   4.244   1.219
  380    HA   GLU  49           HA       GLU  49  10.462   6.888   1.950
  381    HB2  GLU  49          2HB       GLU  49   8.008   5.231   2.703
  382    HB3  GLU  49          1HB       GLU  49   8.215   6.912   3.187
  383    HG2  GLU  49          2HG       GLU  49   8.004   5.883   0.344
  384    HG3  GLU  49          1HG       GLU  49   6.745   6.725   1.244
  385    H    SER  50           H        SER  50   9.825   3.931   3.800
  386    HA   SER  50           HA       SER  50  10.508   5.188   6.348
  387    HB2  SER  50          2HB       SER  50   8.507   3.685   6.097
  388    HB3  SER  50          1HB       SER  50   9.598   2.334   5.797
  389    HG   SER  50           HG       SER  50   9.447   3.918   8.151
  390    H    LYS  51           H        LYS  51  12.245   3.762   3.906
  391    HA   LYS  51           HA       LYS  51  14.423   3.259   3.643
  392    HB2  LYS  51          2HB       LYS  51  14.851   4.117   6.535
  393    HB3  LYS  51          1HB       LYS  51  16.053   4.095   5.249
  394    HG2  LYS  51          2HG       LYS  51  13.672   5.969   5.492
  395    HG3  LYS  51          1HG       LYS  51  15.374   6.385   5.688
  396    HD2  LYS  51          2HD       LYS  51  15.800   5.956   3.318
  397    HD3  LYS  51          1HD       LYS  51  14.148   5.378   3.091
  398    HE2  LYS  51          2HE       LYS  51  13.327   7.680   3.695
  399    HE3  LYS  51          1HE       LYS  51  15.008   8.220   3.746
  400    HZ1  LYS  51          1HZ       LYS  51  14.026   8.736   1.639
  401    HZ2  LYS  51          2HZ       LYS  51  13.584   7.124   1.386
  402    HZ3  LYS  51          3HZ       LYS  51  15.218   7.556   1.419
  403    H    VAL  52           H        VAL  52  12.542   1.231   4.705
  404    HA   VAL  52           HA       VAL  52  14.438  -0.643   6.013
  405    HB   VAL  52           HB       VAL  52  12.839   0.192   7.704
  406   HG11  VAL  52          1HG1      VAL  52  10.912   0.761   6.272
  407   HG12  VAL  52          2HG1      VAL  52  10.409  -0.302   7.588
  408   HG13  VAL  52          3HG1      VAL  52  10.617  -0.953   5.961
  409   HG21  VAL  52          1HG2      VAL  52  12.043  -1.993   8.566
  410   HG22  VAL  52          2HG2      VAL  52  13.695  -2.103   7.955
  411   HG23  VAL  52          3HG2      VAL  52  12.355  -2.728   6.991
  412    H    SER  53           H        SER  53  14.493  -2.651   5.153
  413    HA   SER  53           HA       SER  53  12.934  -3.210   2.741
  414    HB2  SER  53          2HB       SER  53  15.209  -4.770   4.057
  415    HB3  SER  53          1HB       SER  53  14.468  -5.166   2.502
  416    HG   SER  53           HG       SER  53  16.503  -3.732   2.692
  417    H    ILE  54           H        ILE  54  11.469  -4.823   2.543
  418    HA   ILE  54           HA       ILE  54  10.570  -6.336   4.918
  419    HB   ILE  54           HB       ILE  54   9.020  -4.500   4.695
  420   HG12  ILE  54          2HG1      ILE  54   7.780  -7.021   3.493
  421   HG13  ILE  54          1HG1      ILE  54   7.888  -6.617   5.202
  422   HG21  ILE  54          1HG2      ILE  54   7.832  -3.900   2.640
  423   HG22  ILE  54          2HG2      ILE  54   8.678  -5.171   1.758
  424   HG23  ILE  54          3HG2      ILE  54   9.580  -3.794   2.400
  425   HD11  ILE  54          1HD1      ILE  54   6.217  -5.215   3.123
  426   HD12  ILE  54          2HD1      ILE  54   6.356  -4.724   4.812
  427   HD13  ILE  54          3HD1      ILE  54   5.651  -6.286   4.404
  428    H    GLY  55           H        GLY  55   9.778  -8.417   4.487
  429    HA2  GLY  55          2HA       GLY  55  10.565  -9.580   1.903
  430    HA3  GLY  55          1HA       GLY  55  10.293 -10.450   3.404
  431    H    MET  56           H        MET  56   9.211 -11.329   1.010
  432    HA   MET  56           HA       MET  56   6.570 -10.457   0.464
  433    HB2  MET  56          2HB       MET  56   8.113 -12.956  -0.258
  434    HB3  MET  56          1HB       MET  56   6.413 -12.813  -0.681
  435    HG2  MET  56          2HG       MET  56   8.542 -10.843  -1.550
  436    HG3  MET  56          1HG       MET  56   7.956 -12.199  -2.526
  437    HE1  MET  56          1HE       MET  56   7.210 -10.611  -4.531
  438    HE2  MET  56          2HE       MET  56   7.856  -9.227  -3.642
  439    HE3  MET  56          3HE       MET  56   6.225  -9.165  -4.307
  440    H    GLN  57           H        GLN  57   7.728 -12.213   3.111
  441    HA   GLN  57           HA       GLN  57   5.468 -13.773   3.810
  442    HB2  GLN  57          2HB       GLN  57   7.501 -12.457   5.665
  443    HB3  GLN  57          1HB       GLN  57   6.441 -13.810   6.070
  444    HG2  GLN  57          2HG       GLN  57   7.589 -15.194   4.361
  445    HG3  GLN  57          1HG       GLN  57   8.672 -13.848   4.013
  446   HE21  GLN  57          1HE2      GLN  57   9.315 -16.512   4.920
  447   HE22  GLN  57          2HE2      GLN  57  10.168 -16.334   6.411
  448    H    GLU  58           H        GLU  58   6.353 -10.371   4.449
  449    HA   GLU  58           HA       GLU  58   3.790  -9.902   5.847
  450    HB2  GLU  58          2HB       GLU  58   6.381  -8.315   5.734
  451    HB3  GLU  58          1HB       GLU  58   4.891  -7.617   6.354
  452    HG2  GLU  58          2HG       GLU  58   6.310 -10.050   7.469
  453    HG3  GLU  58          1HG       GLU  58   6.303  -8.436   8.177
  454    H    ILE  59           H        ILE  59   5.407  -9.334   2.825
  455    HA   ILE  59           HA       ILE  59   3.532  -7.407   1.797
  456    HB   ILE  59           HB       ILE  59   5.155  -9.452   0.217
  457   HG12  ILE  59          2HG1      ILE  59   5.844  -6.544   0.850
  458   HG13  ILE  59          1HG1      ILE  59   6.599  -7.943   1.604
  459   HG21  ILE  59          1HG2      ILE  59   4.830  -7.932  -1.732
  460   HG22  ILE  59          2HG2      ILE  59   3.739  -6.942  -0.746
  461   HG23  ILE  59          3HG2      ILE  59   3.313  -8.608  -1.126
  462   HD11  ILE  59          1HD1      ILE  59   6.745  -7.187  -1.307
  463   HD12  ILE  59          2HD1      ILE  59   7.477  -8.626  -0.586
  464   HD13  ILE  59          3HD1      ILE  59   8.023  -7.021  -0.101
  465    H    HIS  60           H        HIS  60   1.549  -8.353   2.633
  466    HA   HIS  60           HA       HIS  60   0.341  -9.863   0.461
  467    HB2  HIS  60          2HB       HIS  60  -1.053 -11.248   2.055
  468    HB3  HIS  60          1HB       HIS  60   0.633 -11.715   1.915
  469    HD1  HIS  60           HD1      HIS  60   2.119 -11.427   3.983
  470    HD2  HIS  60           HD2      HIS  60  -1.844 -10.333   4.553
  471    HE1  HIS  60           HE1      HIS  60   1.819 -11.286   6.471
  472    HE2  HIS  60           HE2      HIS  60  -0.596 -10.645   6.800
  473    HA   PRO  61           HA       PRO  61  -2.286  -6.539   0.411
  474    HB2  PRO  61          2HB       PRO  61  -4.647  -7.492  -0.625
  475    HB3  PRO  61          1HB       PRO  61  -3.151  -7.439  -1.565
  476    HG2  PRO  61          2HG       PRO  61  -4.379  -9.766  -0.125
  477    HG3  PRO  61          1HG       PRO  61  -3.688  -9.691  -1.772
  478    HD2  PRO  61          2HD       PRO  61  -2.274 -10.662   0.333
  479    HD3  PRO  61          1HD       PRO  61  -1.499  -9.786  -1.003
  480    H    ALA  62           H        ALA  62  -3.479  -9.156   2.408
  481    HA   ALA  62           HA       ALA  62  -5.634  -7.936   3.725
  482    HB1  ALA  62          1HB       ALA  62  -5.053 -10.323   3.993
  483    HB2  ALA  62          2HB       ALA  62  -5.192  -9.528   5.562
  484    HB3  ALA  62          3HB       ALA  62  -3.598  -9.876   4.884
  485    H    ASN  63           H        ASN  63  -2.163  -7.583   4.182
  486    HA   ASN  63           HA       ASN  63  -2.339  -5.917   6.554
  487    HB2  ASN  63          2HB       ASN  63  -0.034  -6.793   4.760
  488    HB3  ASN  63          1HB       ASN  63   0.189  -5.671   6.101
  489   HD21  ASN  63          1HD2      ASN  63   1.686  -7.343   6.795
  490   HD22  ASN  63          2HD2      ASN  63   1.094  -8.654   7.738
  491    H    PHE  64           H        PHE  64  -2.302  -5.450   3.117
  492    HA   PHE  64           HA       PHE  64  -1.755  -2.555   3.313
  493    HB2  PHE  64          2HB       PHE  64  -1.810  -4.493   0.954
  494    HB3  PHE  64          1HB       PHE  64  -1.688  -2.745   0.753
  495    HD1  PHE  64           HD1      PHE  64   0.015  -5.722   2.198
  496    HD2  PHE  64           HD2      PHE  64   0.413  -1.632   0.992
  497    HE1  PHE  64           HE1      PHE  64   2.452  -5.890   2.419
  498    HE2  PHE  64           HE2      PHE  64   2.848  -1.812   1.232
  499    HZ   PHE  64           HZ       PHE  64   3.868  -3.936   1.920
  500    H    ALA  65           H        ALA  65  -4.285  -4.060   4.059
  501    HA   ALA  65           HA       ALA  65  -6.416  -3.652   2.327
  502    HB1  ALA  65          1HB       ALA  65  -7.849  -3.887   4.317
  503    HB2  ALA  65          2HB       ALA  65  -6.457  -3.599   5.367
  504    HB3  ALA  65          3HB       ALA  65  -6.514  -5.043   4.354
  505    H    THR  66           H        THR  66  -4.905  -1.302   4.514
  506    HA   THR  66           HA       THR  66  -6.132   0.939   3.083
  507    HB   THR  66           HB       THR  66  -6.552   2.233   5.240
  508    HG1  THR  66           HG1      THR  66  -6.536  -0.301   6.520
  509   HG21  THR  66          1HG2      THR  66  -8.308  -0.225   4.988
  510   HG22  THR  66          2HG2      THR  66  -8.496   1.261   4.053
  511   HG23  THR  66          3HG2      THR  66  -8.736   1.278   5.804
  512    H    VAL  67           H        VAL  67  -4.960   3.081   3.916
  513    HA   VAL  67           HA       VAL  67  -2.139   2.712   3.962
  514    HB   VAL  67           HB       VAL  67  -3.376   4.906   3.292
  515   HG11  VAL  67          1HG1      VAL  67  -4.678   5.279   5.361
  516   HG12  VAL  67          2HG1      VAL  67  -3.626   6.653   5.020
  517   HG13  VAL  67          3HG1      VAL  67  -3.183   5.496   6.277
  518   HG21  VAL  67          1HG2      VAL  67  -0.866   5.105   5.004
  519   HG22  VAL  67          2HG2      VAL  67  -1.415   6.326   3.852
  520   HG23  VAL  67          3HG2      VAL  67  -0.922   4.732   3.277
  521    H    GLN  68           H        GLN  68  -4.596   2.907   6.425
  522    HA   GLN  68           HA       GLN  68  -2.942   3.455   8.689
  523    HB2  GLN  68          2HB       GLN  68  -5.691   2.127   8.609
  524    HB3  GLN  68          1HB       GLN  68  -4.955   2.941   9.991
  525    HG2  GLN  68          2HG       GLN  68  -5.093   5.089   8.868
  526    HG3  GLN  68          1HG       GLN  68  -5.671   4.328   7.387
  527   HE21  GLN  68          1HE2      GLN  68  -7.804   3.535   7.322
  528   HE22  GLN  68          2HE2      GLN  68  -9.002   4.053   8.451
  529    H    SER  69           H        SER  69  -4.313   0.521   7.233
  530    HA   SER  69           HA       SER  69  -3.285  -1.381   9.047
  531    HB2  SER  69          2HB       SER  69  -3.986  -1.752   6.100
  532    HB3  SER  69          1HB       SER  69  -3.821  -3.038   7.297
  533    HG   SER  69           HG       SER  69  -5.534  -1.843   8.464
  534    H    MET  70           H        MET  70  -2.008  -0.094   5.971
  535    HA   MET  70           HA       MET  70   0.211  -1.916   5.881
  536    HB2  MET  70          2HB       MET  70   0.802  -0.909   3.792
  537    HB3  MET  70          1HB       MET  70  -0.952  -0.989   3.834
  538    HG2  MET  70          2HG       MET  70  -1.056   1.396   4.373
  539    HG3  MET  70          1HG       MET  70   0.701   1.489   4.365
  540    HE1  MET  70          1HE       MET  70  -1.807   0.645   0.555
  541    HE2  MET  70          2HE       MET  70  -2.524   0.887   2.150
  542    HE3  MET  70          3HE       MET  70  -1.588  -0.570   1.813
  543    H    VAL  71           H        VAL  71  -0.270   1.382   6.997
  544    HA   VAL  71           HA       VAL  71   2.465   2.127   7.304
  545    HB   VAL  71           HB       VAL  71   0.189   3.584   7.513
  546   HG11  VAL  71          1HG1      VAL  71  -0.304   4.387   9.767
  547   HG12  VAL  71          2HG1      VAL  71   0.862   3.242  10.433
  548   HG13  VAL  71          3HG1      VAL  71  -0.590   2.645   9.632
  549   HG21  VAL  71          1HG2      VAL  71   2.417   4.548   7.171
  550   HG22  VAL  71          2HG2      VAL  71   2.790   4.347   8.885
  551   HG23  VAL  71          3HG2      VAL  71   1.535   5.483   8.383
  552    H    ALA  72           H        ALA  72   0.112   0.512   9.316
  553    HA   ALA  72           HA       ALA  72   1.672   0.448  11.737
  554    HB1  ALA  72          1HB       ALA  72  -0.887  -1.008  11.001
  555    HB2  ALA  72          2HB       ALA  72  -0.799   0.616  11.685
  556    HB3  ALA  72          3HB       ALA  72  -0.246  -0.772  12.635
  557    H    LEU  73           H        LEU  73   1.154  -1.617   8.974
  558    HA   LEU  73           HA       LEU  73   2.388  -3.999   9.875
  559    HB2  LEU  73          2HB       LEU  73   1.170  -4.318   7.919
  560    HB3  LEU  73          1HB       LEU  73   1.588  -2.738   7.282
  561    HG   LEU  73           HG       LEU  73   3.905  -3.642   6.811
  562   HD11  LEU  73          1HD1      LEU  73   4.186  -6.076   6.592
  563   HD12  LEU  73          2HD1      LEU  73   2.618  -6.327   7.362
  564   HD13  LEU  73          3HD1      LEU  73   3.937  -5.576   8.264
  565   HD21  LEU  73          1HD2      LEU  73   2.254  -3.259   5.077
  566   HD22  LEU  73          2HD2      LEU  73   1.589  -4.875   5.314
  567   HD23  LEU  73          3HD2      LEU  73   3.233  -4.678   4.707
  568    H    VAL  74           H        VAL  74   3.572  -1.082   8.164
  569    HA   VAL  74           HA       VAL  74   6.307  -1.814   8.069
  570    HB   VAL  74           HB       VAL  74   5.075   0.990   8.192
  571   HG11  VAL  74          1HG1      VAL  74   7.229   1.813   7.255
  572   HG12  VAL  74          2HG1      VAL  74   7.908   0.191   7.397
  573   HG13  VAL  74          3HG1      VAL  74   7.451   1.085   8.847
  574   HG21  VAL  74          1HG2      VAL  74   5.981  -0.640   5.779
  575   HG22  VAL  74          2HG2      VAL  74   5.377   1.017   5.721
  576   HG23  VAL  74          3HG2      VAL  74   4.311  -0.293   6.225
  577    H    GLN  75           H        GLN  75   4.382  -0.066  10.544
  578    HA   GLN  75           HA       GLN  75   6.511   0.658  12.240
  579    HB2  GLN  75          2HB       GLN  75   3.577   0.208  12.887
  580    HB3  GLN  75          1HB       GLN  75   4.728   0.921  14.015
  581    HG2  GLN  75          2HG       GLN  75   3.879   2.058  11.345
  582    HG3  GLN  75          1HG       GLN  75   3.419   2.654  12.931
  583   HE21  GLN  75          1HE2      GLN  75   4.779   4.029  10.719
  584   HE22  GLN  75          2HE2      GLN  75   6.261   4.630  11.376
  585    H    ARG  76           H        ARG  76   4.713  -2.423  12.061
  586    HA   ARG  76           HA       ARG  76   5.601  -3.383  14.611
  587    HB2  ARG  76          2HB       ARG  76   4.591  -5.491  14.071
  588    HB3  ARG  76          1HB       ARG  76   3.518  -4.223  13.488
  589    HG2  ARG  76          2HG       ARG  76   4.321  -4.559  11.214
  590    HG3  ARG  76          1HG       ARG  76   5.462  -5.778  11.767
  591    HD2  ARG  76          2HD       ARG  76   3.597  -6.907  10.794
  592    HD3  ARG  76          1HD       ARG  76   3.492  -7.132  12.541
  593    HE   ARG  76           HE       ARG  76   1.862  -5.159  12.409
  594   HH11  ARG  76          1HH1      ARG  76   2.131  -7.611   9.887
  595   HH12  ARG  76          2HH1      ARG  76   0.479  -7.419   9.385
  596   HH21  ARG  76          1HH2      ARG  76  -0.276  -4.923  11.710
  597   HH22  ARG  76          2HH2      ARG  76  -0.875  -5.906  10.408
  598    H    LEU  77           H        LEU  77   6.790  -3.688  11.267
  599    HA   LEU  77           HA       LEU  77   8.906  -5.537  12.020
  600    HB2  LEU  77          2HB       LEU  77   9.612  -5.377   9.622
  601    HB3  LEU  77          1HB       LEU  77   7.972  -5.926   9.877
  602    HG   LEU  77           HG       LEU  77   7.273  -3.483   9.340
  603   HD11  LEU  77          1HD1      LEU  77   8.758  -2.245   7.802
  604   HD12  LEU  77          2HD1      LEU  77  10.069  -3.366   8.181
  605   HD13  LEU  77          3HD1      LEU  77   9.382  -2.338   9.450
  606   HD21  LEU  77          1HD2      LEU  77   7.199  -3.952   6.931
  607   HD22  LEU  77          2HD2      LEU  77   6.756  -5.357   7.896
  608   HD23  LEU  77          3HD2      LEU  77   8.353  -5.272   7.149
  609    H    LYS  78           H        LYS  78   8.543  -2.104  11.790
  610    HA   LYS  78           HA       LYS  78  11.245  -1.255  11.641
  611    HB2  LYS  78          2HB       LYS  78   8.803   0.008  12.934
  612    HB3  LYS  78          1HB       LYS  78  10.358   0.823  12.880
  613    HG2  LYS  78          2HG       LYS  78   8.744  -0.030  10.465
  614    HG3  LYS  78          1HG       LYS  78   8.772   1.598  11.132
  615    HD2  LYS  78          2HD       LYS  78  11.266   0.180  10.119
  616    HD3  LYS  78          1HD       LYS  78  10.239   1.163   9.078
  617    HE2  LYS  78          2HE       LYS  78  10.682   3.136  10.503
  618    HE3  LYS  78          1HE       LYS  78  11.694   2.149  11.559
  619    HZ1  LYS  78          1HZ       LYS  78  13.196   1.785   9.766
  620    HZ2  LYS  78          2HZ       LYS  78  12.950   3.445   9.952
  621    HZ3  LYS  78          3HZ       LYS  78  12.200   2.616   8.689
  622    H    ALA  79           H        ALA  79   9.205  -2.314  14.326
  623    HA   ALA  79           HA       ALA  79  10.925  -1.617  16.473
  624    HB1  ALA  79          1HB       ALA  79   9.512  -3.129  17.825
  625    HB2  ALA  79          2HB       ALA  79   8.783  -3.779  16.351
  626    HB3  ALA  79          3HB       ALA  79   8.523  -2.091  16.793
  627    H    HIS  80           H        HIS  80  10.893  -4.277  14.230
  628    HA   HIS  80           HA       HIS  80  12.673  -5.999  15.783
  629    HB2  HIS  80          2HB       HIS  80  11.486  -6.327  12.990
  630    HB3  HIS  80          1HB       HIS  80  12.439  -7.549  13.827
  631    HD1  HIS  80           HD1      HIS  80   9.038  -6.509  13.274
  632    HD2  HIS  80           HD2      HIS  80  11.071  -8.447  16.322
  633    HE1  HIS  80           HE1      HIS  80   7.280  -7.706  14.586
  634    HE2  HIS  80           HE2      HIS  80   8.573  -9.082  16.250
  635    HA   PRO  81           HA       PRO  81  16.481  -4.409  13.883
  636    HB2  PRO  81          2HB       PRO  81  18.050  -6.716  14.093
  637    HB3  PRO  81          1HB       PRO  81  17.741  -5.599  15.435
  638    HG2  PRO  81          2HG       PRO  81  16.406  -8.209  14.820
  639    HG3  PRO  81          1HG       PRO  81  16.920  -7.548  16.388
  640    HD2  PRO  81          2HD       PRO  81  14.332  -7.472  15.606
  641    HD3  PRO  81          1HD       PRO  81  15.047  -6.169  16.581
  642    H    GLU  82           H        GLU  82  15.410  -7.648  12.886
  643    HA   GLU  82           HA       GLU  82  15.293  -6.932  10.092
  644    HB2  GLU  82          2HB       GLU  82  17.713  -7.616  10.419
  645    HB3  GLU  82          1HB       GLU  82  17.165  -9.196  10.964
  646    HG2  GLU  82          2HG       GLU  82  16.075  -9.505   8.699
  647    HG3  GLU  82          1HG       GLU  82  16.840  -7.998   8.192
  648    H    GLN  83           H        GLN  83  14.212  -8.667   8.867
  649    HA   GLN  83           HA       GLN  83  12.583 -10.502  10.534
  650    HB2  GLN  83          2HB       GLN  83  11.737  -8.855   8.112
  651    HB3  GLN  83          1HB       GLN  83  10.741 -10.117   8.830
  652    HG2  GLN  83          2HG       GLN  83  11.722  -7.702  10.389
  653    HG3  GLN  83          1HG       GLN  83  10.185  -7.740   9.524
  654   HE21  GLN  83          1HE2      GLN  83  12.001  -9.280  12.162
  655   HE22  GLN  83          2HE2      GLN  83  10.609  -9.865  13.003
  656    H    GLY  84           H        GLY  84  13.268  -9.992   7.058
  657    HA2  GLY  84          2HA       GLY  84  14.657 -11.664   5.860
  658    HA3  GLY  84          1HA       GLY  84  13.764 -12.907   6.738
  659    H    GLY  85           H        GLY  85  13.147 -13.784   4.681
  660    HA2  GLY  85          2HA       GLY  85  11.526 -14.212   3.101
  661    HA3  GLY  85          1HA       GLY  85  10.658 -12.775   3.619
  662    H    ALA  86           H        ALA  86  13.905 -12.147   2.880
  663    HA   ALA  86           HA       ALA  86  13.241 -11.062   0.202
  664    HB1  ALA  86          1HB       ALA  86  13.763  -9.318   1.871
  665    HB2  ALA  86          2HB       ALA  86  15.014  -9.384   0.626
  666    HB3  ALA  86          3HB       ALA  86  15.310 -10.096   2.216
  667    H    ALA  87           H        ALA  87  14.062 -12.326  -1.343
  668    HA   ALA  87           HA       ALA  87  16.152 -14.224  -1.050
  669    HB1  ALA  87          1HB       ALA  87  15.014 -13.005  -3.597
  670    HB2  ALA  87          2HB       ALA  87  14.403 -14.444  -2.781
  671    HB3  ALA  87          3HB       ALA  87  16.009 -14.463  -3.509
  672    H    LEU  88           H        LEU  88  18.295 -14.163  -1.834
  673    HA   LEU  88           HA       LEU  88  19.717 -11.689  -1.698
  674    HB2  LEU  88          2HB       LEU  88  20.514 -14.108  -1.118
  675    HB3  LEU  88          1HB       LEU  88  20.828 -14.288  -2.830
  676    HG   LEU  88           HG       LEU  88  22.150 -12.171  -1.070
  677   HD11  LEU  88          1HD1      LEU  88  22.808 -14.392  -0.298
  678   HD12  LEU  88          2HD1      LEU  88  24.159 -13.570  -1.071
  679   HD13  LEU  88          3HD1      LEU  88  23.295 -14.841  -1.938
  680   HD21  LEU  88          1HD2      LEU  88  22.158 -11.528  -3.453
  681   HD22  LEU  88          2HD2      LEU  88  22.893 -13.071  -3.887
  682   HD23  LEU  88          3HD2      LEU  88  23.790 -11.910  -2.905
  683    H    GLU  89           H        GLU  89  18.874 -10.338  -3.253
  684    HA   GLU  89           HA       GLU  89  18.766 -11.109  -6.078
  685    HB2  GLU  89          2HB       GLU  89  16.908  -9.849  -4.803
  686    HB3  GLU  89          1HB       GLU  89  17.968  -8.452  -4.791
  687    HG2  GLU  89          2HG       GLU  89  16.975  -9.802  -7.325
  688    HG3  GLU  89          1HG       GLU  89  16.156  -8.451  -6.555
  689   H282  PNS 101          3H28      PNS 136  -0.046 -10.407  -4.358
  690   H281  PNS 101          2H28      PNS 136   0.580 -12.052  -4.228
  691   H303  PNS 101          3H51      PNS 136   0.134  -9.793  -1.318
  692   H302  PNS 101          2H51      PNS 136   1.757  -9.102  -1.341
  693   H301  PNS 101          1H51      PNS 136   0.594  -8.673  -2.610
  694   H313  PNS 101          3H52      PNS 136   2.929 -10.969  -4.342
  695   H312  PNS 101          2H52      PNS 136   3.393  -9.801  -3.109
  696   H311  PNS 101          1H52      PNS 136   2.208  -9.355  -4.347
  697    H32  PNS 101           H32      PNS 136   2.680 -11.338  -1.166
  698    H33  PNS 101           H33      PNS 136   0.279 -12.766  -1.636
  699    H36  PNS 101           H36      PNS 136   4.327 -12.044  -2.188
  700   H372  PNS 101          3H37      PNS 136   5.798 -13.687  -2.828
  701   H371  PNS 101          2H37      PNS 136   4.469 -14.632  -3.533
  702   H382  PNS 101          3H38      PNS 136   4.167 -12.999  -5.290
  703   H381  PNS 101          2H38      PNS 136   5.295 -11.886  -4.529
  704    H41  PNS 101           H41      PNS 136   6.434 -11.552  -6.123
  705   H422  PNS 101          3H42      PNS 136   7.488 -12.904  -8.195
  706   H421  PNS 101          2H42      PNS 136   8.633 -13.176  -6.876
  707   H431  PNS 101          2H43      PNS 136   7.637 -10.459  -7.824
  708   H432  PNS 101          3H43      PNS 136   8.790 -10.736  -6.508
  709    H44  PNS 101           H44      PNS 136  10.715 -11.950  -8.180
  Start of MODEL   14
    1    H1   MET   1          1H        MET   1  -0.424  14.785   3.122
    2    H2   MET   1          2H        MET   1   0.550  13.407   3.232
    3    H3   MET   1          3H        MET   1  -0.810  13.402   2.230
    4    HA   MET   1           HA       MET   1   0.138  15.057   0.814
    5    HB2  MET   1          2HB       MET   1   1.469  16.250   2.509
    6    HB3  MET   1          1HB       MET   1   2.530  14.859   2.698
    7    HG2  MET   1          2HG       MET   1   3.614  16.596   1.368
    8    HG3  MET   1          1HG       MET   1   3.332  15.160   0.378
    9    HE1  MET   1          1HE       MET   1   3.675  16.531  -1.902
   10    HE2  MET   1          2HE       MET   1   4.059  17.946  -0.921
   11    HE3  MET   1          3HE       MET   1   2.876  18.071  -2.223
   12    H    LEU   2           H        LEU   2   1.974  12.417   2.335
   13    HA   LEU   2           HA       LEU   2   3.396  11.546   0.029
   14    HB2  LEU   2          2HB       LEU   2   4.022  11.199   2.493
   15    HB3  LEU   2          1HB       LEU   2   2.763   9.978   2.569
   16    HG   LEU   2           HG       LEU   2   4.014   8.714   0.729
   17   HD11  LEU   2          1HD1      LEU   2   6.380   9.244   0.365
   18   HD12  LEU   2          2HD1      LEU   2   6.219  10.705   1.343
   19   HD13  LEU   2          3HD1      LEU   2   5.327  10.550  -0.174
   20   HD21  LEU   2          1HD2      LEU   2   5.674   7.726   2.234
   21   HD22  LEU   2          2HD2      LEU   2   4.144   7.992   3.066
   22   HD23  LEU   2          3HD2      LEU   2   5.503   9.084   3.354
   23    H    GLU   3           H        GLU   3   0.321  10.872   1.394
   24    HA   GLU   3           HA       GLU   3  -0.422   8.382   0.403
   25    HB2  GLU   3          2HB       GLU   3  -2.322  10.739   0.883
   26    HB3  GLU   3          1HB       GLU   3  -2.725   9.028   0.910
   27    HG2  GLU   3          2HG       GLU   3  -2.627   9.441   3.180
   28    HG3  GLU   3          1HG       GLU   3  -0.969   8.938   2.897
   29    H    SER   4           H        SER   4  -0.915  11.628  -0.899
   30    HA   SER   4           HA       SER   4  -2.456  11.117  -3.138
   31    HB2  SER   4          2HB       SER   4  -0.299  13.254  -2.853
   32    HB3  SER   4          1HB       SER   4  -1.705  13.315  -3.920
   33    HG   SER   4           HG       SER   4  -1.535  14.125  -1.431
   34    H    LYS   5           H        LYS   5   1.010  10.706  -2.667
   35    HA   LYS   5           HA       LYS   5   1.667  10.559  -5.471
   36    HB2  LYS   5          2HB       LYS   5   3.164  11.535  -3.698
   37    HB3  LYS   5          1HB       LYS   5   3.387   9.919  -3.034
   38    HG2  LYS   5          2HG       LYS   5   5.297  10.550  -4.425
   39    HG3  LYS   5          1HG       LYS   5   4.436   9.190  -5.153
   40    HD2  LYS   5          2HD       LYS   5   5.047  10.790  -6.907
   41    HD3  LYS   5          1HD       LYS   5   3.293  10.783  -6.722
   42    HE2  LYS   5          2HE       LYS   5   3.482  12.853  -5.313
   43    HE3  LYS   5          1HE       LYS   5   5.219  12.863  -5.620
   44    HZ1  LYS   5          1HZ       LYS   5   4.059  14.350  -7.078
   45    HZ2  LYS   5          2HZ       LYS   5   3.091  13.097  -7.661
   46    HZ3  LYS   5          3HZ       LYS   5   4.752  13.096  -7.972
   47    H    LEU   6           H        LEU   6   1.429   8.220  -2.739
   48    HA   LEU   6           HA       LEU   6   2.246   5.952  -4.282
   49    HB2  LEU   6          2HB       LEU   6   1.527   4.570  -2.357
   50    HB3  LEU   6          1HB       LEU   6   2.580   5.891  -1.911
   51    HG   LEU   6           HG       LEU   6   0.259   7.100  -1.307
   52   HD11  LEU   6          1HD1      LEU   6  -1.396   5.562  -0.331
   53   HD12  LEU   6          2HD1      LEU   6  -0.488   4.182  -0.959
   54   HD13  LEU   6          3HD1      LEU   6  -1.230   5.333  -2.070
   55   HD21  LEU   6          1HD2      LEU   6   1.539   5.069   0.544
   56   HD22  LEU   6          2HD2      LEU   6   0.524   6.439   1.024
   57   HD23  LEU   6          3HD2      LEU   6   2.093   6.726   0.273
   58    H    ILE   7           H        ILE   7  -0.889   7.404  -3.547
   59    HA   ILE   7           HA       ILE   7  -2.564   5.424  -4.684
   60    HB   ILE   7           HB       ILE   7  -2.969   8.436  -4.394
   61   HG12  ILE   7          2HG1      ILE   7  -4.259   6.154  -2.821
   62   HG13  ILE   7          1HG1      ILE   7  -2.832   7.033  -2.280
   63   HG21  ILE   7          1HG2      ILE   7  -4.371   7.643  -6.284
   64   HG22  ILE   7          2HG2      ILE   7  -5.374   8.103  -4.904
   65   HG23  ILE   7          3HG2      ILE   7  -5.074   6.398  -5.246
   66   HD11  ILE   7          1HD1      ILE   7  -5.581   8.202  -2.713
   67   HD12  ILE   7          2HD1      ILE   7  -4.147   9.110  -2.224
   68   HD13  ILE   7          3HD1      ILE   7  -4.802   7.858  -1.169
   69    H    ASN   8           H        ASN   8  -1.365   8.522  -6.041
   70    HA   ASN   8           HA       ASN   8  -2.544   8.336  -8.546
   71    HB2  ASN   8          2HB       ASN   8  -1.491  10.375  -7.403
   72    HB3  ASN   8          1HB       ASN   8   0.065   9.817  -7.982
   73   HD21  ASN   8          1HD2      ASN   8  -0.840   9.056 -10.689
   74   HD22  ASN   8          2HD2      ASN   8  -1.233  10.528 -11.489
   75    H    HIS   9           H        HIS   9   0.558   7.035  -7.429
   76    HA   HIS   9           HA       HIS   9   1.900   6.648  -9.818
   77    HB2  HIS   9          2HB       HIS   9   2.874   6.305  -7.538
   78    HB3  HIS   9          1HB       HIS   9   1.998   4.782  -7.411
   79    HD1  HIS   9           HD1      HIS   9   5.205   6.080  -8.421
   80    HD2  HIS   9           HD2      HIS   9   2.826   2.903  -9.587
   81    HE1  HIS   9           HE1      HIS   9   6.743   4.506  -9.601
   82    HE2  HIS   9           HE2      HIS   9   5.321   2.467 -10.007
   83    H    ILE  10           H        ILE  10   0.033   4.027  -8.113
   84    HA   ILE  10           HA       ILE  10  -0.107   2.539 -10.608
   85    HB   ILE  10           HB       ILE  10  -1.457   0.845  -9.319
   86   HG12  ILE  10          2HG1      ILE  10  -1.021   1.075  -6.684
   87   HG13  ILE  10          1HG1      ILE  10  -1.027   2.790  -7.029
   88   HG21  ILE  10          1HG2      ILE  10   0.481  -0.089  -8.109
   89   HG22  ILE  10          2HG2      ILE  10   1.314   1.460  -8.271
   90   HG23  ILE  10          3HG2      ILE  10   0.907   0.523  -9.710
   91   HD11  ILE  10          1HD1      ILE  10  -3.165   2.033  -6.263
   92   HD12  ILE  10          2HD1      ILE  10  -3.258   0.843  -7.561
   93   HD13  ILE  10          3HD1      ILE  10  -3.282   2.570  -7.936
   94    H    ALA  11           H        ALA  11  -2.242   4.716  -8.824
   95    HA   ALA  11           HA       ALA  11  -4.714   4.223  -9.960
   96    HB1  ALA  11          1HB       ALA  11  -4.334   5.973  -8.258
   97    HB2  ALA  11          2HB       ALA  11  -5.266   6.574  -9.632
   98    HB3  ALA  11          3HB       ALA  11  -3.553   6.978  -9.482
   99    H    THR  12           H        THR  12  -1.857   5.391 -11.549
  100    HA   THR  12           HA       THR  12  -2.889   6.513 -13.898
  101    HB   THR  12           HB       THR  12  -0.355   4.837 -13.589
  102    HG1  THR  12           HG1      THR  12  -0.056   6.467 -12.205
  103   HG21  THR  12          1HG2      THR  12  -1.037   6.990 -15.640
  104   HG22  THR  12          2HG2      THR  12  -0.918   5.262 -15.975
  105   HG23  THR  12          3HG2      THR  12   0.516   6.161 -15.487
  106    H    GLN  13           H        GLN  13  -1.979   3.135 -13.201
  107    HA   GLN  13           HA       GLN  13  -3.144   2.158 -15.714
  108    HB2  GLN  13          2HB       GLN  13  -2.082  -0.011 -15.082
  109    HB3  GLN  13          1HB       GLN  13  -0.926   1.315 -15.156
  110    HG2  GLN  13          2HG       GLN  13  -0.930   1.496 -12.703
  111    HG3  GLN  13          1HG       GLN  13  -2.134   0.216 -12.589
  112   HE21  GLN  13          1HE2      GLN  13   0.536   0.311 -11.411
  113   HE22  GLN  13          2HE2      GLN  13   1.394  -1.047 -12.043
  114    H    PHE  14           H        PHE  14  -3.986   2.427 -12.404
  115    HA   PHE  14           HA       PHE  14  -5.814   0.152 -12.387
  116    HB2  PHE  14          2HB       PHE  14  -4.336   1.666 -10.283
  117    HB3  PHE  14          1HB       PHE  14  -6.019   1.380  -9.849
  118    HD1  PHE  14           HD1      PHE  14  -5.639  -0.195  -8.044
  119    HD2  PHE  14           HD2      PHE  14  -3.916  -0.929 -11.906
  120    HE1  PHE  14           HE1      PHE  14  -5.128  -2.512  -7.397
  121    HE2  PHE  14           HE2      PHE  14  -3.402  -3.229 -11.234
  122    HZ   PHE  14           HZ       PHE  14  -4.010  -4.028  -8.983
  123    H    LEU  15           H        LEU  15  -5.872   3.654 -12.515
  124    HA   LEU  15           HA       LEU  15  -8.851   3.651 -12.530
  125    HB2  LEU  15          2HB       LEU  15  -7.193   5.761 -11.096
  126    HB3  LEU  15          1HB       LEU  15  -8.935   5.560 -11.060
  127    HG   LEU  15           HG       LEU  15  -6.929   3.681  -9.744
  128   HD11  LEU  15          1HD1      LEU  15  -8.721   5.773  -8.458
  129   HD12  LEU  15          2HD1      LEU  15  -6.980   5.923  -8.728
  130   HD13  LEU  15          3HD1      LEU  15  -7.593   4.676  -7.658
  131   HD21  LEU  15          1HD2      LEU  15  -9.970   3.732  -9.529
  132   HD22  LEU  15          2HD2      LEU  15  -8.881   2.699  -8.598
  133   HD23  LEU  15          3HD2      LEU  15  -8.998   2.502 -10.344
  134    H    ASP  16           H        ASP  16  -6.491   4.139 -14.599
  135    HA   ASP  16           HA       ASP  16  -6.335   5.279 -16.576
  136    HB2  ASP  16          2HB       ASP  16  -8.868   5.154 -16.551
  137    HB3  ASP  16          1HB       ASP  16  -8.910   6.704 -15.737
  138    H    GLY  17           H        GLY  17  -5.279   6.344 -13.960
  139    HA2  GLY  17          2HA       GLY  17  -3.779   8.074 -13.503
  140    HA3  GLY  17          1HA       GLY  17  -4.390   8.982 -14.873
  141    H    GLU  18           H        GLU  18  -7.009   7.941 -13.110
  142    HA   GLU  18           HA       GLU  18  -7.355  10.624 -11.907
  143    HB2  GLU  18          2HB       GLU  18  -9.590  10.514 -12.481
  144    HB3  GLU  18          1HB       GLU  18  -9.016   9.361 -13.686
  145    HG2  GLU  18          2HG       GLU  18  -9.593   7.512 -12.076
  146    HG3  GLU  18          1HG       GLU  18 -10.306   8.721 -11.011
  147    H    LYS  19           H        LYS  19  -8.170  10.761  -9.720
  148    HA   LYS  19           HA       LYS  19  -7.794   8.371  -8.023
  149    HB2  LYS  19          2HB       LYS  19  -8.582  11.187  -7.202
  150    HB3  LYS  19          1HB       LYS  19  -8.123   9.862  -6.135
  151    HG2  LYS  19          2HG       LYS  19  -5.835   9.921  -7.433
  152    HG3  LYS  19          1HG       LYS  19  -6.361  11.532  -7.936
  153    HD2  LYS  19          2HD       LYS  19  -6.049  10.556  -5.077
  154    HD3  LYS  19          1HD       LYS  19  -4.960  11.666  -5.912
  155    HE2  LYS  19          2HE       LYS  19  -6.637  13.407  -5.954
  156    HE3  LYS  19          1HE       LYS  19  -7.904  12.294  -5.440
  157    HZ1  LYS  19          1HZ       LYS  19  -5.579  13.095  -3.790
  158    HZ2  LYS  19          2HZ       LYS  19  -6.859  12.102  -3.311
  159    HZ3  LYS  19          3HZ       LYS  19  -7.138  13.730  -3.660
  160    H    ASP  20           H        ASP  20  -9.531   7.097  -7.703
  161    HA   ASP  20           HA       ASP  20 -12.188   8.098  -7.270
  162    HB2  ASP  20          2HB       ASP  20 -12.109   8.272  -9.715
  163    HB3  ASP  20          1HB       ASP  20 -11.580   6.596  -9.851
  164    H    GLY  21           H        GLY  21 -12.600   6.900  -5.542
  165    HA2  GLY  21          2HA       GLY  21 -13.372   5.043  -4.401
  166    HA3  GLY  21          1HA       GLY  21 -12.818   4.004  -5.706
  167    H    LEU  22           H        LEU  22 -10.123   5.154  -5.710
  168    HA   LEU  22           HA       LEU  22  -8.953   3.712  -3.469
  169    HB2  LEU  22          2HB       LEU  22  -8.185   3.317  -5.807
  170    HB3  LEU  22          1HB       LEU  22  -7.714   4.999  -5.927
  171    HG   LEU  22           HG       LEU  22  -6.011   4.578  -4.078
  172   HD11  LEU  22          1HD1      LEU  22  -7.006   2.576  -3.076
  173   HD12  LEU  22          2HD1      LEU  22  -5.349   2.268  -3.580
  174   HD13  LEU  22          3HD1      LEU  22  -6.693   1.654  -4.549
  175   HD21  LEU  22          1HD2      LEU  22  -4.384   3.529  -5.569
  176   HD22  LEU  22          2HD2      LEU  22  -5.377   4.687  -6.448
  177   HD23  LEU  22          3HD2      LEU  22  -5.680   2.953  -6.626
  178    H    ASP  23           H        ASP  23  -8.983   4.981  -1.726
  179    HA   ASP  23           HA       ASP  23  -7.053   7.183  -1.758
  180    HB2  ASP  23          2HB       ASP  23  -9.373   8.219  -1.650
  181    HB3  ASP  23          1HB       ASP  23  -9.661   7.337  -0.151
  182    H    SER  24           H        SER  24  -5.996   7.430   0.291
  183    HA   SER  24           HA       SER  24  -5.247   5.007   1.487
  184    HB2  SER  24          2HB       SER  24  -4.804   7.884   2.365
  185    HB3  SER  24          1HB       SER  24  -3.953   6.487   3.026
  186    HG   SER  24           HG       SER  24  -3.134   6.069   0.951
  187    H    GLN  25           H        GLN  25  -7.542   7.521   2.583
  188    HA   GLN  25           HA       GLN  25  -8.075   6.361   5.158
  189    HB2  GLN  25          2HB       GLN  25  -9.751   8.332   3.531
  190    HB3  GLN  25          1HB       GLN  25  -9.992   7.951   5.237
  191    HG2  GLN  25          2HG       GLN  25  -7.816   8.920   5.794
  192    HG3  GLN  25          1HG       GLN  25  -7.495   9.237   4.090
  193   HE21  GLN  25          1HE2      GLN  25  -9.438  10.194   6.856
  194   HE22  GLN  25          2HE2      GLN  25  -9.937  11.717   6.211
  195    H    THR  26           H        THR  26  -9.104   5.580   1.984
  196    HA   THR  26           HA       THR  26 -11.743   4.614   2.545
  197    HB   THR  26           HB       THR  26  -9.908   4.165   0.143
  198    HG1  THR  26           HG1      THR  26 -11.780   5.711  -0.614
  199   HG21  THR  26          1HG2      THR  26 -11.990   3.564  -1.090
  200   HG22  THR  26          2HG2      THR  26 -12.876   3.580   0.443
  201   HG23  THR  26          3HG2      THR  26 -11.592   2.397   0.168
  202    HA   PRO  27           HA       PRO  27 -10.476   0.394   3.815
  203    HB2  PRO  27          2HB       PRO  27 -12.926  -0.823   3.551
  204    HB3  PRO  27          1HB       PRO  27 -12.507   0.199   4.949
  205    HG2  PRO  27          2HG       PRO  27 -14.111   0.919   2.506
  206    HG3  PRO  27          1HG       PRO  27 -14.418   1.333   4.206
  207    HD2  PRO  27          2HD       PRO  27 -13.286   3.092   2.465
  208    HD3  PRO  27          1HD       PRO  27 -12.886   3.094   4.187
  209    H    LEU  28           H        LEU  28  -9.161  -0.126   2.135
  210    HA   LEU  28           HA       LEU  28  -9.891  -0.198  -0.608
  211    HB2  LEU  28          2HB       LEU  28  -7.419  -1.358   0.735
  212    HB3  LEU  28          1HB       LEU  28  -7.599  -1.025  -0.983
  213    HG   LEU  28           HG       LEU  28  -7.474   1.042   1.254
  214   HD11  LEU  28          1HD1      LEU  28  -5.386   1.771   0.211
  215   HD12  LEU  28          2HD1      LEU  28  -5.514   0.487  -0.994
  216   HD13  LEU  28          3HD1      LEU  28  -5.291   0.084   0.712
  217   HD21  LEU  28          1HD2      LEU  28  -7.913   1.494  -1.713
  218   HD22  LEU  28          2HD2      LEU  28  -7.554   2.755  -0.530
  219   HD23  LEU  28          3HD2      LEU  28  -9.049   1.835  -0.404
  220    H    PHE  29           H        PHE  29  -9.844  -2.608   1.910
  221    HA   PHE  29           HA       PHE  29 -10.165  -4.847   0.085
  222    HB2  PHE  29          2HB       PHE  29  -9.522  -4.532   2.952
  223    HB3  PHE  29          1HB       PHE  29 -10.765  -5.763   2.728
  224    HD1  PHE  29           HD1      PHE  29  -7.677  -4.689   0.913
  225    HD2  PHE  29           HD2      PHE  29  -9.889  -7.939   2.603
  226    HE1  PHE  29           HE1      PHE  29  -5.975  -6.239   0.179
  227    HE2  PHE  29           HE2      PHE  29  -8.152  -9.504   1.850
  228    HZ   PHE  29           HZ       PHE  29  -6.197  -8.660   0.622
  229    H    GLU  30           H        GLU  30 -12.192  -3.072   2.402
  230    HA   GLU  30           HA       GLU  30 -14.438  -4.790   2.200
  231    HB2  GLU  30          2HB       GLU  30 -14.271  -1.882   3.069
  232    HB3  GLU  30          1HB       GLU  30 -15.674  -2.925   3.314
  233    HG2  GLU  30          2HG       GLU  30 -14.293  -4.445   4.705
  234    HG3  GLU  30          1HG       GLU  30 -12.907  -3.380   4.476
  235    H    LEU  31           H        LEU  31 -13.407  -1.998   0.344
  236    HA   LEU  31           HA       LEU  31 -15.781  -2.169  -1.397
  237    HB2  LEU  31          2HB       LEU  31 -13.445  -0.237  -1.588
  238    HB3  LEU  31          1HB       LEU  31 -14.989  -0.130  -2.415
  239    HG   LEU  31           HG       LEU  31 -14.386   0.404   0.506
  240   HD11  LEU  31          1HD1      LEU  31 -15.363   2.568   0.068
  241   HD12  LEU  31          2HD1      LEU  31 -15.751   2.105  -1.590
  242   HD13  LEU  31          3HD1      LEU  31 -14.066   2.238  -1.078
  243   HD21  LEU  31          1HD2      LEU  31 -17.160   0.023  -0.664
  244   HD22  LEU  31          2HD2      LEU  31 -16.803   0.706   0.927
  245   HD23  LEU  31          3HD2      LEU  31 -16.379  -0.967   0.577
  246    H    ASN  32           H        ASN  32 -12.529  -3.289  -1.223
  247    HA   ASN  32           HA       ASN  32 -11.297  -4.708  -2.476
  248    HB2  ASN  32          2HB       ASN  32 -13.867  -5.011  -4.105
  249    HB3  ASN  32          1HB       ASN  32 -12.435  -6.011  -4.344
  250   HD21  ASN  32          1HD2      ASN  32 -11.822  -7.452  -2.667
  251   HD22  ASN  32          2HD2      ASN  32 -12.975  -7.980  -1.498
  252    H    ILE  33           H        ILE  33 -11.114  -1.941  -2.951
  253    HA   ILE  33           HA       ILE  33 -11.229  -1.211  -5.678
  254    HB   ILE  33           HB       ILE  33  -9.510   0.058  -3.491
  255   HG12  ILE  33          2HG1      ILE  33 -11.920  -0.059  -2.819
  256   HG13  ILE  33          1HG1      ILE  33 -11.400   1.599  -3.086
  257   HG21  ILE  33          1HG2      ILE  33  -9.702   2.115  -4.904
  258   HG22  ILE  33          2HG2      ILE  33 -10.515   1.174  -6.153
  259   HG23  ILE  33          3HG2      ILE  33  -8.840   0.814  -5.722
  260   HD11  ILE  33          1HD1      ILE  33 -13.017  -0.072  -5.010
  261   HD12  ILE  33          2HD1      ILE  33 -12.508   1.600  -5.267
  262   HD13  ILE  33          3HD1      ILE  33 -13.623   1.207  -3.961
  263    H    VAL  34           H        VAL  34  -8.401  -2.010  -3.637
  264    HA   VAL  34           HA       VAL  34  -6.678  -2.115  -6.041
  265    HB   VAL  34           HB       VAL  34  -6.007  -0.609  -4.128
  266   HG11  VAL  34          1HG1      VAL  34  -5.086  -1.517  -2.050
  267   HG12  VAL  34          2HG1      VAL  34  -5.443  -3.165  -2.573
  268   HG13  VAL  34          3HG1      VAL  34  -6.765  -2.042  -2.237
  269   HG21  VAL  34          1HG2      VAL  34  -3.602  -1.221  -4.122
  270   HG22  VAL  34          2HG2      VAL  34  -4.307  -1.369  -5.732
  271   HG23  VAL  34          3HG2      VAL  34  -4.006  -2.816  -4.768
  272    H    ASP  35           H        ASP  35  -5.311  -3.909  -6.402
  273    HA   ASP  35           HA       ASP  35  -6.123  -6.454  -5.108
  274    HB2  ASP  35          2HB       ASP  35  -6.605  -6.212  -7.563
  275    HB3  ASP  35          1HB       ASP  35  -4.893  -6.021  -7.877
  276    H    SER  36           H        SER  36  -4.457  -8.098  -5.116
  277    HA   SER  36           HA       SER  36  -2.205  -7.478  -3.607
  278    HB2  SER  36          2HB       SER  36  -3.035  -9.668  -3.378
  279    HB3  SER  36          1HB       SER  36  -3.094  -9.924  -5.122
  280    H    ALA  37           H        ALA  37  -2.554  -7.682  -7.087
  281    HA   ALA  37           HA       ALA  37   0.129  -7.984  -7.883
  282    HB1  ALA  37          1HB       ALA  37  -2.125  -6.612  -9.395
  283    HB2  ALA  37          2HB       ALA  37  -1.777  -8.342  -9.401
  284    HB3  ALA  37          3HB       ALA  37  -0.616  -7.207 -10.092
  285    H    ALA  38           H        ALA  38  -1.723  -5.065  -7.031
  286    HA   ALA  38           HA       ALA  38   0.336  -3.202  -7.906
  287    HB1  ALA  38          1HB       ALA  38  -1.147  -1.457  -6.994
  288    HB2  ALA  38          2HB       ALA  38  -2.207  -2.703  -6.322
  289    HB3  ALA  38          3HB       ALA  38  -2.017  -2.552  -8.068
  290    H    ILE  39           H        ILE  39  -0.273  -5.040  -5.076
  291    HA   ILE  39           HA       ILE  39   0.548  -3.307  -3.006
  292    HB   ILE  39           HB       ILE  39   0.675  -6.357  -3.141
  293   HG12  ILE  39          2HG1      ILE  39  -1.598  -5.497  -3.489
  294   HG13  ILE  39          1HG1      ILE  39  -1.489  -6.292  -1.929
  295   HG21  ILE  39          1HG2      ILE  39   0.823  -4.569  -0.680
  296   HG22  ILE  39          2HG2      ILE  39   2.122  -5.575  -1.322
  297   HG23  ILE  39          3HG2      ILE  39   0.675  -6.328  -0.652
  298   HD11  ILE  39          1HD1      ILE  39  -2.831  -4.316  -1.807
  299   HD12  ILE  39          2HD1      ILE  39  -1.505  -3.321  -2.413
  300   HD13  ILE  39          3HD1      ILE  39  -1.372  -4.124  -0.842
  301    H    PHE  40           H        PHE  40   2.376  -5.449  -5.160
  302    HA   PHE  40           HA       PHE  40   4.882  -5.405  -3.875
  303    HB2  PHE  40          2HB       PHE  40   4.170  -6.933  -5.776
  304    HB3  PHE  40          1HB       PHE  40   4.371  -5.587  -6.886
  305    HD1  PHE  40           HD1      PHE  40   6.231  -7.675  -4.388
  306    HD2  PHE  40           HD2      PHE  40   6.535  -5.191  -7.867
  307    HE1  PHE  40           HE1      PHE  40   8.596  -8.282  -4.630
  308    HE2  PHE  40           HE2      PHE  40   8.905  -5.814  -8.096
  309    HZ   PHE  40           HZ       PHE  40   9.936  -7.359  -6.479
  310    H    ASP  41           H        ASP  41   3.308  -3.095  -6.001
  311    HA   ASP  41           HA       ASP  41   5.607  -1.387  -6.412
  312    HB2  ASP  41          2HB       ASP  41   3.794  -1.538  -8.090
  313    HB3  ASP  41          1HB       ASP  41   2.638  -0.906  -6.920
  314    H    LEU  42           H        LEU  42   2.604  -1.241  -4.450
  315    HA   LEU  42           HA       LEU  42   3.011   1.203  -3.134
  316    HB2  LEU  42          2HB       LEU  42   1.609  -1.289  -2.087
  317    HB3  LEU  42          1HB       LEU  42   1.430   0.323  -1.406
  318    HG   LEU  42           HG       LEU  42   0.536  -0.542  -4.190
  319   HD11  LEU  42          1HD1      LEU  42  -0.880  -1.494  -2.452
  320   HD12  LEU  42          2HD1      LEU  42  -1.746  -0.265  -3.368
  321   HD13  LEU  42          3HD1      LEU  42  -1.141   0.108  -1.750
  322   HD21  LEU  42          1HD2      LEU  42   0.206   2.159  -2.839
  323   HD22  LEU  42          2HD2      LEU  42  -0.526   1.673  -4.372
  324   HD23  LEU  42          3HD2      LEU  42   1.225   1.796  -4.237
  325    H    VAL  43           H        VAL  43   4.215  -2.020  -2.459
  326    HA   VAL  43           HA       VAL  43   5.541  -1.593  -0.010
  327    HB   VAL  43           HB       VAL  43   5.939  -3.593  -2.271
  328   HG11  VAL  43          1HG1      VAL  43   7.665  -3.486   0.238
  329   HG12  VAL  43          2HG1      VAL  43   8.227  -3.223  -1.412
  330   HG13  VAL  43          3HG1      VAL  43   7.639  -4.813  -0.926
  331   HG21  VAL  43          1HG2      VAL  43   5.081  -3.881   0.620
  332   HG22  VAL  43          2HG2      VAL  43   5.201  -5.187  -0.556
  333   HG23  VAL  43          3HG2      VAL  43   4.024  -3.900  -0.795
  334    H    ASP  44           H        ASP  44   6.766  -1.492  -3.414
  335    HA   ASP  44           HA       ASP  44   9.432  -0.908  -2.939
  336    HB2  ASP  44          2HB       ASP  44   8.397  -1.339  -5.205
  337    HB3  ASP  44          1HB       ASP  44   7.800   0.302  -5.211
  338    H    PHE  45           H        PHE  45   6.662   1.218  -3.091
  339    HA   PHE  45           HA       PHE  45   8.015   3.662  -2.941
  340    HB2  PHE  45          2HB       PHE  45   5.654   3.309  -3.739
  341    HB3  PHE  45          1HB       PHE  45   5.167   2.991  -2.079
  342    HD1  PHE  45           HD1      PHE  45   6.359   5.594  -4.432
  343    HD2  PHE  45           HD2      PHE  45   4.850   4.828  -0.499
  344    HE1  PHE  45           HE1      PHE  45   5.971   7.989  -4.109
  345    HE2  PHE  45           HE2      PHE  45   4.471   7.229  -0.197
  346    HZ   PHE  45           HZ       PHE  45   5.034   8.811  -1.992
  347    H    LEU  46           H        LEU  46   6.261   1.776  -0.376
  348    HA   LEU  46           HA       LEU  46   6.833   3.561   1.760
  349    HB2  LEU  46          2HB       LEU  46   6.073   0.621   1.905
  350    HB3  LEU  46          1HB       LEU  46   6.077   1.722   3.276
  351    HG   LEU  46           HG       LEU  46   4.229   1.859   0.859
  352   HD11  LEU  46          1HD1      LEU  46   2.441   1.361   2.461
  353   HD12  LEU  46          2HD1      LEU  46   3.626   1.211   3.762
  354   HD13  LEU  46          3HD1      LEU  46   3.643   0.074   2.410
  355   HD21  LEU  46          1HD2      LEU  46   4.349   3.753   3.235
  356   HD22  LEU  46          2HD2      LEU  46   3.089   3.730   1.998
  357   HD23  LEU  46          3HD2      LEU  46   4.742   4.140   1.557
  358    H    ARG  47           H        ARG  47   8.510   0.615   0.720
  359    HA   ARG  47           HA       ARG  47  10.251   0.402   2.963
  360    HB2  ARG  47          2HB       ARG  47  11.439  -1.307   1.683
  361    HB3  ARG  47          1HB       ARG  47   9.713  -1.557   1.507
  362    HG2  ARG  47          2HG       ARG  47   9.750  -0.660  -0.736
  363    HG3  ARG  47          1HG       ARG  47  11.434  -0.178  -0.580
  364    HD2  ARG  47          2HD       ARG  47  10.526  -3.072  -0.412
  365    HD3  ARG  47          1HD       ARG  47  10.970  -2.288  -1.931
  366    HE   ARG  47           HE       ARG  47  12.918  -2.261   0.270
  367   HH11  ARG  47          1HH1      ARG  47  12.012  -3.533  -2.880
  368   HH12  ARG  47          2HH1      ARG  47  13.595  -4.162  -3.214
  369   HH21  ARG  47          1HH2      ARG  47  15.002  -3.086  -0.188
  370   HH22  ARG  47          2HH2      ARG  47  15.284  -3.911  -1.694
  371    H    GLN  48           H        GLN  48  10.341   2.093  -0.083
  372    HA   GLN  48           HA       GLN  48  13.079   2.888  -0.109
  373    HB2  GLN  48          2HB       GLN  48  11.624   2.842  -2.122
  374    HB3  GLN  48          1HB       GLN  48  10.623   4.115  -1.436
  375    HG2  GLN  48          2HG       GLN  48  12.649   5.626  -1.493
  376    HG3  GLN  48          1HG       GLN  48  13.502   4.343  -2.354
  377   HE21  GLN  48          1HE2      GLN  48  10.089   5.206  -2.816
  378   HE22  GLN  48          2HE2      GLN  48  10.279   5.785  -4.429
  379    H    GLU  49           H        GLU  49  10.020   4.434   0.929
  380    HA   GLU  49           HA       GLU  49  11.142   6.911   1.757
  381    HB2  GLU  49          2HB       GLU  49   8.495   5.633   2.589
  382    HB3  GLU  49          1HB       GLU  49   8.936   7.316   2.841
  383    HG2  GLU  49          2HG       GLU  49   8.420   5.930   0.199
  384    HG3  GLU  49          1HG       GLU  49   7.436   7.181   0.947
  385    H    SER  50           H        SER  50  10.393   3.919   3.433
  386    HA   SER  50           HA       SER  50  11.224   4.853   6.057
  387    HB2  SER  50          2HB       SER  50  10.431   2.057   5.112
  388    HB3  SER  50          1HB       SER  50  10.649   2.552   6.793
  389    HG   SER  50           HG       SER  50   8.707   3.519   4.958
  390    H    LYS  51           H        LYS  51  12.871   3.718   3.346
  391    HA   LYS  51           HA       LYS  51  14.991   3.139   2.866
  392    HB2  LYS  51          2HB       LYS  51  15.552   4.191   5.679
  393    HB3  LYS  51          1HB       LYS  51  16.780   3.919   4.449
  394    HG2  LYS  51          2HG       LYS  51  14.492   5.916   4.226
  395    HG3  LYS  51          1HG       LYS  51  16.160   6.313   4.655
  396    HD2  LYS  51          2HD       LYS  51  16.961   5.675   2.470
  397    HD3  LYS  51          1HD       LYS  51  15.402   4.971   2.034
  398    HE2  LYS  51          2HE       LYS  51  15.744   7.139   0.928
  399    HE3  LYS  51          1HE       LYS  51  14.376   7.204   2.036
  400    HZ1  LYS  51          1HZ       LYS  51  17.097   8.170   2.685
  401    HZ2  LYS  51          2HZ       LYS  51  15.709   8.349   3.622
  402    HZ3  LYS  51          3HZ       LYS  51  15.836   9.160   2.148
  403    H    VAL  52           H        VAL  52  13.210   1.136   4.165
  404    HA   VAL  52           HA       VAL  52  15.220  -0.784   5.202
  405    HB   VAL  52           HB       VAL  52  13.370  -1.862   6.488
  406   HG11  VAL  52          1HG1      VAL  52  13.279  -0.260   8.331
  407   HG12  VAL  52          2HG1      VAL  52  13.787   1.038   7.250
  408   HG13  VAL  52          3HG1      VAL  52  14.892  -0.289   7.617
  409   HG21  VAL  52          1HG2      VAL  52  11.225  -0.672   6.898
  410   HG22  VAL  52          2HG2      VAL  52  11.412  -1.135   5.205
  411   HG23  VAL  52          3HG2      VAL  52  11.688   0.536   5.694
  412    H    SER  53           H        SER  53  14.794  -3.022   4.648
  413    HA   SER  53           HA       SER  53  13.110  -3.412   2.234
  414    HB2  SER  53          2HB       SER  53  15.593  -4.047   2.122
  415    HB3  SER  53          1HB       SER  53  15.252  -5.330   3.284
  416    HG   SER  53           HG       SER  53  15.071  -6.187   1.247
  417    H    ILE  54           H        ILE  54  11.826  -5.346   2.173
  418    HA   ILE  54           HA       ILE  54  10.798  -6.247   4.807
  419    HB   ILE  54           HB       ILE  54   9.325  -4.454   4.055
  420   HG12  ILE  54          2HG1      ILE  54   7.977  -7.155   3.554
  421   HG13  ILE  54          1HG1      ILE  54   8.183  -6.386   5.120
  422   HG21  ILE  54          1HG2      ILE  54   9.897  -4.441   1.666
  423   HG22  ILE  54          2HG2      ILE  54   8.149  -4.461   1.900
  424   HG23  ILE  54          3HG2      ILE  54   8.989  -5.941   1.432
  425   HD11  ILE  54          1HD1      ILE  54   6.459  -5.377   2.856
  426   HD12  ILE  54          2HD1      ILE  54   6.672  -4.581   4.419
  427   HD13  ILE  54          3HD1      ILE  54   5.915  -6.171   4.332
  428    H    GLY  55           H        GLY  55   9.893  -8.344   4.824
  429    HA2  GLY  55          2HA       GLY  55  10.828 -10.178   2.800
  430    HA3  GLY  55          1HA       GLY  55   9.928 -10.581   4.252
  431    H    MET  56           H        MET  56   9.617 -11.415   1.383
  432    HA   MET  56           HA       MET  56   7.348 -10.385   0.133
  433    HB2  MET  56          2HB       MET  56   8.550 -13.173   0.126
  434    HB3  MET  56          1HB       MET  56   7.162 -12.770  -0.875
  435    HG2  MET  56          2HG       MET  56   9.422 -10.897  -1.240
  436    HG3  MET  56          1HG       MET  56   9.801 -12.565  -1.658
  437    HE1  MET  56          1HE       MET  56   6.389 -10.152  -3.689
  438    HE2  MET  56          2HE       MET  56   7.530  -9.418  -2.561
  439    HE3  MET  56          3HE       MET  56   6.348 -10.592  -1.981
  440    H    GLN  57           H        GLN  57   7.543 -12.625   2.826
  441    HA   GLN  57           HA       GLN  57   4.818 -13.528   2.731
  442    HB2  GLN  57          2HB       GLN  57   6.691 -13.640   5.126
  443    HB3  GLN  57          1HB       GLN  57   5.322 -14.692   4.788
  444    HG2  GLN  57          2HG       GLN  57   7.915 -14.615   3.200
  445    HG3  GLN  57          1HG       GLN  57   7.506 -15.805   4.428
  446   HE21  GLN  57          1HE2      GLN  57   7.838 -17.453   2.914
  447   HE22  GLN  57          2HE2      GLN  57   6.684 -17.813   1.678
  448    H    GLU  58           H        GLU  58   6.533 -10.849   4.245
  449    HA   GLU  58           HA       GLU  58   4.351 -10.038   5.979
  450    HB2  GLU  58          2HB       GLU  58   6.791  -8.427   5.136
  451    HB3  GLU  58          1HB       GLU  58   5.749  -8.131   6.528
  452    HG2  GLU  58          2HG       GLU  58   6.541 -10.318   7.503
  453    HG3  GLU  58          1HG       GLU  58   7.670 -10.455   6.149
  454    H    ILE  59           H        ILE  59   5.466  -9.432   2.722
  455    HA   ILE  59           HA       ILE  59   3.807  -7.157   2.182
  456    HB   ILE  59           HB       ILE  59   4.993  -9.151   0.190
  457   HG12  ILE  59          2HG1      ILE  59   6.076  -6.432   1.080
  458   HG13  ILE  59          1HG1      ILE  59   6.724  -7.984   1.589
  459   HG21  ILE  59          1HG2      ILE  59   4.643  -7.287  -1.457
  460   HG22  ILE  59          2HG2      ILE  59   3.760  -6.399  -0.212
  461   HG23  ILE  59          3HG2      ILE  59   3.139  -7.939  -0.805
  462   HD11  ILE  59          1HD1      ILE  59   7.366  -8.477  -0.716
  463   HD12  ILE  59          2HD1      ILE  59   8.081  -6.976  -0.130
  464   HD13  ILE  59          3HD1      ILE  59   6.702  -6.920  -1.229
  465    H    HIS  60           H        HIS  60   1.703  -7.431   2.528
  466    HA   HIS  60           HA       HIS  60   0.205  -9.498   1.111
  467    HB2  HIS  60          2HB       HIS  60   0.528  -9.413   4.066
  468    HB3  HIS  60          1HB       HIS  60  -1.164  -9.357   3.593
  469    HD1  HIS  60           HD1      HIS  60   1.903 -11.560   3.059
  470    HD2  HIS  60           HD2      HIS  60  -2.250 -11.752   2.963
  471    HE1  HIS  60           HE1      HIS  60   1.351 -13.995   2.778
  472    HE2  HIS  60           HE2      HIS  60  -1.160 -14.059   2.592
  473    HA   PRO  61           HA       PRO  61  -2.416  -5.925   0.379
  474    HB2  PRO  61          2HB       PRO  61  -4.676  -7.296  -0.507
  475    HB3  PRO  61          1HB       PRO  61  -3.262  -6.960  -1.522
  476    HG2  PRO  61          2HG       PRO  61  -3.980  -9.473  -0.068
  477    HG3  PRO  61          1HG       PRO  61  -3.305  -9.271  -1.698
  478    HD2  PRO  61          2HD       PRO  61  -1.764  -9.987   0.419
  479    HD3  PRO  61          1HD       PRO  61  -1.127  -8.987  -0.899
  480    H    ALA  62           H        ALA  62  -3.370  -8.699   2.380
  481    HA   ALA  62           HA       ALA  62  -5.504  -7.612   3.834
  482    HB1  ALA  62          1HB       ALA  62  -4.933  -9.262   5.590
  483    HB2  ALA  62          2HB       ALA  62  -3.377  -9.547   4.804
  484    HB3  ALA  62          3HB       ALA  62  -4.873  -9.983   3.979
  485    H    ASN  63           H        ASN  63  -2.021  -7.206   4.184
  486    HA   ASN  63           HA       ASN  63  -2.156  -5.548   6.561
  487    HB2  ASN  63          2HB       ASN  63   0.136  -6.234   4.673
  488    HB3  ASN  63          1HB       ASN  63   0.325  -5.201   6.086
  489   HD21  ASN  63          1HD2      ASN  63   1.662  -7.663   5.545
  490   HD22  ASN  63          2HD2      ASN  63   1.258  -8.764   6.808
  491    H    PHE  64           H        PHE  64  -2.246  -5.039   3.101
  492    HA   PHE  64           HA       PHE  64  -1.975  -2.102   3.407
  493    HB2  PHE  64          2HB       PHE  64  -1.928  -3.933   0.960
  494    HB3  PHE  64          1HB       PHE  64  -2.042  -2.180   0.828
  495    HD1  PHE  64           HD1      PHE  64   0.096  -4.825   2.386
  496    HD2  PHE  64           HD2      PHE  64  -0.048  -0.938   0.629
  497    HE1  PHE  64           HE1      PHE  64   2.532  -4.721   2.443
  498    HE2  PHE  64           HE2      PHE  64   2.405  -0.833   0.714
  499    HZ   PHE  64           HZ       PHE  64   3.693  -2.726   1.619
  500    H    ALA  65           H        ALA  65  -4.341  -3.884   4.185
  501    HA   ALA  65           HA       ALA  65  -6.529  -3.540   2.471
  502    HB1  ALA  65          1HB       ALA  65  -6.495  -5.141   4.341
  503    HB2  ALA  65          2HB       ALA  65  -7.926  -4.111   4.414
  504    HB3  ALA  65          3HB       ALA  65  -6.564  -3.813   5.502
  505    H    THR  66           H        THR  66  -5.104  -1.346   4.804
  506    HA   THR  66           HA       THR  66  -6.649   0.926   3.789
  507    HB   THR  66           HB       THR  66  -6.990   1.852   6.140
  508    HG1  THR  66           HG1      THR  66  -7.046  -0.318   7.612
  509   HG21  THR  66          1HG2      THR  66  -8.482  -0.752   5.634
  510   HG22  THR  66          2HG2      THR  66  -8.928   0.834   4.999
  511   HG23  THR  66          3HG2      THR  66  -8.984   0.532   6.734
  512    H    VAL  67           H        VAL  67  -5.594   3.047   4.713
  513    HA   VAL  67           HA       VAL  67  -2.770   2.999   4.487
  514    HB   VAL  67           HB       VAL  67  -4.133   5.054   4.076
  515   HG11  VAL  67          1HG1      VAL  67  -4.335   5.314   7.097
  516   HG12  VAL  67          2HG1      VAL  67  -5.669   5.025   5.980
  517   HG13  VAL  67          3HG1      VAL  67  -4.796   6.557   5.929
  518   HG21  VAL  67          1HG2      VAL  67  -1.858   5.456   6.054
  519   HG22  VAL  67          2HG2      VAL  67  -2.485   6.682   4.948
  520   HG23  VAL  67          3HG2      VAL  67  -1.695   5.240   4.309
  521    H    GLN  68           H        GLN  68  -4.919   2.961   7.302
  522    HA   GLN  68           HA       GLN  68  -2.958   3.352   9.313
  523    HB2  GLN  68          2HB       GLN  68  -5.720   2.056   9.480
  524    HB3  GLN  68          1HB       GLN  68  -4.760   2.566  10.870
  525    HG2  GLN  68          2HG       GLN  68  -4.930   4.900  10.204
  526    HG3  GLN  68          1HG       GLN  68  -5.744   4.450   8.701
  527   HE21  GLN  68          1HE2      GLN  68  -7.580   5.674   9.166
  528   HE22  GLN  68          2HE2      GLN  68  -8.709   5.238  10.393
  529    H    SER  69           H        SER  69  -4.152   0.535   7.601
  530    HA   SER  69           HA       SER  69  -2.914  -1.410   9.310
  531    HB2  SER  69          2HB       SER  69  -4.956  -1.841   7.853
  532    HB3  SER  69          1HB       SER  69  -3.886  -1.818   6.449
  533    HG   SER  69           HG       SER  69  -3.608  -3.851   6.905
  534    H    MET  70           H        MET  70  -2.097   0.126   6.158
  535    HA   MET  70           HA       MET  70   0.154  -1.580   5.658
  536    HB2  MET  70          2HB       MET  70   0.495  -0.376   3.622
  537    HB3  MET  70          1HB       MET  70  -1.245  -0.511   3.850
  538    HG2  MET  70          2HG       MET  70  -1.329   1.827   4.601
  539    HG3  MET  70          1HG       MET  70   0.415   1.962   4.391
  540    HE1  MET  70          1HE       MET  70  -2.516   1.314   0.857
  541    HE2  MET  70          2HE       MET  70  -3.036   1.399   2.542
  542    HE3  MET  70          3HE       MET  70  -2.100   0.015   1.975
  543    H    VAL  71           H        VAL  71  -0.210   1.681   7.011
  544    HA   VAL  71           HA       VAL  71   2.580   2.305   6.989
  545    HB   VAL  71           HB       VAL  71   0.775   4.069   7.104
  546   HG11  VAL  71          1HG1      VAL  71   0.530   3.333  10.036
  547   HG12  VAL  71          2HG1      VAL  71  -0.702   3.075   8.804
  548   HG13  VAL  71          3HG1      VAL  71  -0.235   4.717   9.250
  549   HG21  VAL  71          1HG2      VAL  71   2.918   4.231   9.259
  550   HG22  VAL  71          2HG2      VAL  71   2.064   5.611   8.564
  551   HG23  VAL  71          3HG2      VAL  71   3.128   4.634   7.552
  552    H    ALA  72           H        ALA  72   0.332   0.894   9.310
  553    HA   ALA  72           HA       ALA  72   2.114   0.894  11.544
  554    HB1  ALA  72          1HB       ALA  72   0.363  -0.400  12.672
  555    HB2  ALA  72          2HB       ALA  72  -0.482  -0.619  11.135
  556    HB3  ALA  72          3HB       ALA  72  -0.323   0.995  11.831
  557    H    LEU  73           H        LEU  73   1.330  -1.361   8.939
  558    HA   LEU  73           HA       LEU  73   2.479  -3.747   9.879
  559    HB2  LEU  73          2HB       LEU  73   1.353  -4.154   7.882
  560    HB3  LEU  73          1HB       LEU  73   1.675  -2.548   7.260
  561    HG   LEU  73           HG       LEU  73   4.091  -3.420   6.807
  562   HD11  LEU  73          1HD1      LEU  73   4.032  -5.477   8.066
  563   HD12  LEU  73          2HD1      LEU  73   4.317  -5.818   6.359
  564   HD13  LEU  73          3HD1      LEU  73   2.720  -6.103   7.058
  565   HD21  LEU  73          1HD2      LEU  73   1.809  -4.434   5.122
  566   HD22  LEU  73          2HD2      LEU  73   3.483  -4.222   4.608
  567   HD23  LEU  73          3HD2      LEU  73   2.522  -2.820   5.072
  568    H    VAL  74           H        VAL  74   3.797  -1.031   7.991
  569    HA   VAL  74           HA       VAL  74   6.465  -1.871   7.841
  570    HB   VAL  74           HB       VAL  74   5.418   1.004   7.893
  571   HG11  VAL  74          1HG1      VAL  74   7.548   1.620   6.748
  572   HG12  VAL  74          2HG1      VAL  74   8.119  -0.040   6.930
  573   HG13  VAL  74          3HG1      VAL  74   7.841   0.958   8.357
  574   HG21  VAL  74          1HG2      VAL  74   6.011  -0.795   5.498
  575   HG22  VAL  74          2HG2      VAL  74   5.510   0.896   5.410
  576   HG23  VAL  74          3HG2      VAL  74   4.408  -0.316   6.060
  577    H    GLN  75           H        GLN  75   4.812   0.190  10.281
  578    HA   GLN  75           HA       GLN  75   7.119   0.697  11.869
  579    HB2  GLN  75          2HB       GLN  75   4.219   0.681  12.818
  580    HB3  GLN  75          1HB       GLN  75   5.573   1.489  13.595
  581    HG2  GLN  75          2HG       GLN  75   4.427   2.213  10.884
  582    HG3  GLN  75          1HG       GLN  75   4.074   3.046  12.390
  583   HE21  GLN  75          1HE2      GLN  75   4.813   4.997  11.584
  584   HE22  GLN  75          2HE2      GLN  75   6.480   5.329  11.320
  585    H    ARG  76           H        ARG  76   5.029  -2.111  11.700
  586    HA   ARG  76           HA       ARG  76   5.663  -3.239  14.278
  587    HB2  ARG  76          2HB       ARG  76   4.413  -4.437  11.769
  588    HB3  ARG  76          1HB       ARG  76   4.723  -5.400  13.210
  589    HG2  ARG  76          2HG       ARG  76   2.897  -2.981  13.062
  590    HG3  ARG  76          1HG       ARG  76   2.388  -4.668  13.111
  591    HD2  ARG  76          2HD       ARG  76   3.307  -4.924  15.357
  592    HD3  ARG  76          1HD       ARG  76   3.956  -3.280  15.318
  593    HE   ARG  76           HE       ARG  76   1.594  -2.509  15.148
  594   HH11  ARG  76          1HH1      ARG  76   2.247  -5.622  16.648
  595   HH12  ARG  76          2HH1      ARG  76   0.806  -5.595  17.610
  596   HH21  ARG  76          1HH2      ARG  76  -0.302  -2.503  16.437
  597   HH22  ARG  76          2HH2      ARG  76  -0.617  -3.845  17.490
  598    H    LEU  77           H        LEU  77   6.762  -3.869  10.913
  599    HA   LEU  77           HA       LEU  77   8.778  -5.738  11.717
  600    HB2  LEU  77          2HB       LEU  77   9.613  -5.575   9.368
  601    HB3  LEU  77          1HB       LEU  77   7.921  -5.993   9.523
  602    HG   LEU  77           HG       LEU  77   7.515  -3.423   9.058
  603   HD11  LEU  77          1HD1      LEU  77  10.282  -3.705   7.845
  604   HD12  LEU  77          2HD1      LEU  77   9.787  -2.610   9.143
  605   HD13  LEU  77          3HD1      LEU  77   9.145  -2.390   7.520
  606   HD21  LEU  77          1HD2      LEU  77   7.354  -3.860   6.659
  607   HD22  LEU  77          2HD2      LEU  77   6.724  -5.193   7.620
  608   HD23  LEU  77          3HD2      LEU  77   8.310  -5.333   6.856
  609    H    LYS  78           H        LYS  78   8.733  -2.250  11.310
  610    HA   LYS  78           HA       LYS  78  11.490  -1.653  11.472
  611    HB2  LYS  78          2HB       LYS  78   9.056  -0.076  12.410
  612    HB3  LYS  78          1HB       LYS  78  10.684   0.583  12.437
  613    HG2  LYS  78          2HG       LYS  78   9.267  -0.361   9.922
  614    HG3  LYS  78          1HG       LYS  78   9.263   1.310  10.478
  615    HD2  LYS  78          2HD       LYS  78  11.775  -0.261   9.806
  616    HD3  LYS  78          1HD       LYS  78  10.934   0.794   8.668
  617    HE2  LYS  78          2HE       LYS  78  12.076   1.716  11.326
  618    HE3  LYS  78          1HE       LYS  78  12.886   1.893   9.765
  619    HZ1  LYS  78          1HZ       LYS  78  11.026   3.240   9.009
  620    HZ2  LYS  78          2HZ       LYS  78  11.735   3.904  10.386
  621    HZ3  LYS  78          3HZ       LYS  78  10.271   3.076  10.517
  622    H    ALA  79           H        ALA  79   8.996  -2.176  13.936
  623    HA   ALA  79           HA       ALA  79  10.670  -1.700  16.219
  624    HB1  ALA  79          1HB       ALA  79   8.229  -1.368  16.334
  625    HB2  ALA  79          2HB       ALA  79   8.752  -2.557  17.526
  626    HB3  ALA  79          3HB       ALA  79   7.961  -3.089  16.039
  627    H    HIS  80           H        HIS  80   9.784  -4.466  14.262
  628    HA   HIS  80           HA       HIS  80  10.625  -6.574  15.966
  629    HB2  HIS  80          2HB       HIS  80   9.037  -6.886  14.082
  630    HB3  HIS  80          1HB       HIS  80  10.300  -6.469  12.932
  631    HD1  HIS  80           HD1      HIS  80   9.403  -9.226  15.407
  632    HD2  HIS  80           HD2      HIS  80  11.767  -8.584  12.060
  633    HE1  HIS  80           HE1      HIS  80  10.286 -11.489  14.756
  634    HE2  HIS  80           HE2      HIS  80  11.651 -11.065  12.681
  635    HA   PRO  81           HA       PRO  81  14.957  -5.375  15.769
  636    HB2  PRO  81          2HB       PRO  81  16.055  -7.689  16.942
  637    HB3  PRO  81          1HB       PRO  81  15.310  -6.355  17.846
  638    HG2  PRO  81          2HG       PRO  81  14.095  -8.974  17.013
  639    HG3  PRO  81          1HG       PRO  81  13.955  -8.114  18.566
  640    HD2  PRO  81          2HD       PRO  81  11.968  -8.025  16.757
  641    HD3  PRO  81          1HD       PRO  81  12.370  -6.589  17.726
  642    H    GLU  82           H        GLU  82  14.400  -8.807  14.871
  643    HA   GLU  82           HA       GLU  82  16.594  -8.648  12.879
  644    HB2  GLU  82          2HB       GLU  82  16.806 -10.350  14.716
  645    HB3  GLU  82          1HB       GLU  82  15.321 -11.116  14.154
  646    HG2  GLU  82          2HG       GLU  82  16.417 -11.600  11.966
  647    HG3  GLU  82          1HG       GLU  82  17.901 -10.854  12.560
  648    H    GLN  83           H        GLN  83  15.410  -7.704  11.229
  649    HA   GLN  83           HA       GLN  83  12.835  -8.680  10.339
  650    HB2  GLN  83          2HB       GLN  83  14.746  -6.691   9.031
  651    HB3  GLN  83          1HB       GLN  83  13.082  -6.983   8.527
  652    HG2  GLN  83          2HG       GLN  83  12.228  -6.111  10.625
  653    HG3  GLN  83          1HG       GLN  83  13.859  -5.964  11.276
  654   HE21  GLN  83          1HE2      GLN  83  13.479  -3.758  11.692
  655   HE22  GLN  83          2HE2      GLN  83  13.526  -2.575  10.433
  656    H    GLY  84           H        GLY  84  16.017  -9.665   9.810
  657    HA2  GLY  84          2HA       GLY  84  15.653 -12.001   8.589
  658    HA3  GLY  84          1HA       GLY  84  15.621 -10.907   7.203
  659    H    GLY  85           H        GLY  85  17.547 -12.260   6.646
  660    HA2  GLY  85          2HA       GLY  85  20.069 -11.571   7.970
  661    HA3  GLY  85          1HA       GLY  85  19.843 -12.605   6.564
  662    H    ALA  86           H        ALA  86  19.254  -9.195   7.438
  663    HA   ALA  86           HA       ALA  86  19.575  -8.189   4.765
  664    HB1  ALA  86          1HB       ALA  86  18.076  -7.052   6.361
  665    HB2  ALA  86          2HB       ALA  86  19.346  -5.948   5.827
  666    HB3  ALA  86          3HB       ALA  86  19.440  -6.699   7.422
  667    H    ALA  87           H        ALA  87  21.584  -8.615   3.965
  668    HA   ALA  87           HA       ALA  87  23.981  -7.542   5.322
  669    HB1  ALA  87          1HB       ALA  87  25.191  -9.669   4.962
  670    HB2  ALA  87          2HB       ALA  87  23.718 -10.415   4.337
  671    HB3  ALA  87          3HB       ALA  87  23.801  -9.903   6.024
  672    H    LEU  88           H        LEU  88  25.781  -7.255   3.956
  673    HA   LEU  88           HA       LEU  88  25.217  -6.830   1.118
  674    HB2  LEU  88          2HB       LEU  88  27.622  -6.124   2.861
  675    HB3  LEU  88          1HB       LEU  88  27.545  -5.795   1.141
  676    HG   LEU  88           HG       LEU  88  27.081  -3.735   2.287
  677   HD11  LEU  88          1HD1      LEU  88  25.763  -4.111   0.282
  678   HD12  LEU  88          2HD1      LEU  88  24.908  -3.098   1.440
  679   HD13  LEU  88          3HD1      LEU  88  24.451  -4.794   1.250
  680   HD21  LEU  88          1HD2      LEU  88  26.442  -4.607   4.488
  681   HD22  LEU  88          2HD2      LEU  88  24.878  -5.116   3.849
  682   HD23  LEU  88          3HD2      LEU  88  25.290  -3.399   3.922
  683    H    GLU  89           H        GLU  89  27.358  -7.358  -0.245
  684    HA   GLU  89           HA       GLU  89  27.755 -10.273  -0.041
  685    HB2  GLU  89          2HB       GLU  89  28.613  -9.983  -2.476
  686    HB3  GLU  89          1HB       GLU  89  26.893  -9.856  -2.187
  687    HG2  GLU  89          2HG       GLU  89  28.656  -7.398  -2.430
  688    HG3  GLU  89          1HG       GLU  89  27.962  -8.184  -3.846
  689   H282  PNS 101          3H28      PNS 136   1.392  -9.050  -1.768
  690   H281  PNS 101          2H28      PNS 136   0.481  -8.833  -3.261
  691   H303  PNS 101          3H51      PNS 136   3.944  -8.801  -4.373
  692   H302  PNS 101          2H51      PNS 136   2.405  -7.947  -4.375
  693   H301  PNS 101          1H51      PNS 136   3.312  -8.114  -2.866
  694   H313  PNS 101          3H52      PNS 136   1.299  -9.941  -5.406
  695   H312  PNS 101          2H52      PNS 136   1.385 -11.506  -4.614
  696   H311  PNS 101          1H52      PNS 136   2.825 -10.840  -5.395
  697    H32  PNS 101           H32      PNS 136   4.207 -10.924  -3.398
  698    H33  PNS 101           H33      PNS 136   3.032 -10.179  -0.960
  699    H36  PNS 101           H36      PNS 136   4.877 -12.701  -2.301
  700   H372  PNS 101          3H37      PNS 136   4.143 -14.591  -0.754
  701   H371  PNS 101          2H37      PNS 136   2.896 -14.879  -1.971
  702   H382  PNS 101          3H38      PNS 136   5.898 -15.033  -2.446
  703   H381  PNS 101          2H38      PNS 136   4.786 -16.398  -2.311
  704    H41  PNS 101           H41      PNS 136   5.403 -13.449  -4.237
  705   H422  PNS 101          3H42      PNS 136   3.866 -14.306  -6.548
  706   H421  PNS 101          2H42      PNS 136   5.618 -14.331  -6.752
  707   H431  PNS 101          2H43      PNS 136   4.670 -12.209  -7.582
  708   H432  PNS 101          3H43      PNS 136   3.971 -11.891  -5.983
  709    H44  PNS 101           H44      PNS 136   6.282 -10.314  -6.315
  Start of MODEL   15
    1    H1   MET   1          1H        MET   1   1.913  16.563   1.631
    2    H2   MET   1          2H        MET   1   2.455  15.785   0.232
    3    H3   MET   1          3H        MET   1   3.238  15.520   1.699
    4    HA   MET   1           HA       MET   1   1.375  14.425   2.592
    5    HB2  MET   1          2HB       MET   1  -0.340  15.782   1.372
    6    HB3  MET   1          1HB       MET   1   0.031  14.903  -0.104
    7    HG2  MET   1          2HG       MET   1  -0.763  12.814   0.930
    8    HG3  MET   1          1HG       MET   1  -1.125  13.687   2.427
    9    HE1  MET   1          1HE       MET   1  -3.293  11.884   0.850
   10    HE2  MET   1          2HE       MET   1  -4.712  12.934   0.895
   11    HE3  MET   1          3HE       MET   1  -3.694  12.763   2.325
   12    H    LEU   2           H        LEU   2   1.876  12.332   2.643
   13    HA   LEU   2           HA       LEU   2   3.627  11.185   0.612
   14    HB2  LEU   2          2HB       LEU   2   4.022  11.115   3.128
   15    HB3  LEU   2          1HB       LEU   2   2.641  10.047   3.260
   16    HG   LEU   2           HG       LEU   2   3.901   8.395   1.774
   17   HD11  LEU   2          1HD1      LEU   2   6.339   8.657   1.587
   18   HD12  LEU   2          2HD1      LEU   2   6.232  10.266   2.303
   19   HD13  LEU   2          3HD1      LEU   2   5.477   9.938   0.739
   20   HD21  LEU   2          1HD2      LEU   2   5.312   7.539   3.594
   21   HD22  LEU   2          2HD2      LEU   2   3.738   8.057   4.194
   22   HD23  LEU   2          3HD2      LEU   2   5.158   9.073   4.455
   23    H    GLU   3           H        GLU   3   0.428  10.786   1.924
   24    HA   GLU   3           HA       GLU   3  -0.055   8.108   1.064
   25    HB2  GLU   3          2HB       GLU   3  -2.147  10.130   1.969
   26    HB3  GLU   3          1HB       GLU   3  -2.270   8.379   1.989
   27    HG2  GLU   3          2HG       GLU   3  -1.891   8.823   4.230
   28    HG3  GLU   3          1HG       GLU   3  -0.252   8.507   3.666
   29    H    SER   4           H        SER   4  -0.966  11.301  -0.197
   30    HA   SER   4           HA       SER   4  -2.822  10.520  -2.175
   31    HB2  SER   4          2HB       SER   4  -2.231  12.746  -3.238
   32    HB3  SER   4          1HB       SER   4  -2.604  12.869  -1.516
   33    HG   SER   4           HG       SER   4  -0.420  13.679  -2.722
   34    H    LYS   5           H        LYS   5   0.671  10.461  -2.067
   35    HA   LYS   5           HA       LYS   5   1.105  10.331  -4.901
   36    HB2  LYS   5          2HB       LYS   5   3.059   9.798  -2.630
   37    HB3  LYS   5          1HB       LYS   5   3.472  10.072  -4.322
   38    HG2  LYS   5          2HG       LYS   5   2.378  12.363  -4.091
   39    HG3  LYS   5          1HG       LYS   5   2.313  12.065  -2.356
   40    HD2  LYS   5          2HD       LYS   5   4.260  13.382  -2.718
   41    HD3  LYS   5          1HD       LYS   5   4.852  11.745  -2.448
   42    HE2  LYS   5          2HE       LYS   5   4.457  12.937  -5.220
   43    HE3  LYS   5          1HE       LYS   5   5.976  13.030  -4.339
   44    HZ1  LYS   5          1HZ       LYS   5   5.991  10.580  -4.292
   45    HZ2  LYS   5          2HZ       LYS   5   6.064  11.220  -5.853
   46    HZ3  LYS   5          3HZ       LYS   5   4.616  10.570  -5.277
   47    H    LEU   6           H        LEU   6   1.077   7.940  -2.202
   48    HA   LEU   6           HA       LEU   6   1.992   5.771  -3.840
   49    HB2  LEU   6          2HB       LEU   6   1.416   4.266  -1.984
   50    HB3  LEU   6          1HB       LEU   6   2.357   5.643  -1.459
   51    HG   LEU   6           HG       LEU   6   0.022   6.645  -0.747
   52   HD11  LEU   6          1HD1      LEU   6  -1.398   4.918  -1.753
   53   HD12  LEU   6          2HD1      LEU   6  -1.632   5.010  -0.016
   54   HD13  LEU   6          3HD1      LEU   6  -0.681   3.692  -0.703
   55   HD21  LEU   6          1HD2      LEU   6   1.837   6.116   0.803
   56   HD22  LEU   6          2HD2      LEU   6   1.327   4.426   0.855
   57   HD23  LEU   6          3HD2      LEU   6   0.272   5.693   1.491
   58    H    ILE   7           H        ILE   7  -1.223   7.011  -3.004
   59    HA   ILE   7           HA       ILE   7  -2.786   5.057  -4.341
   60    HB   ILE   7           HB       ILE   7  -3.320   8.033  -3.958
   61   HG12  ILE   7          2HG1      ILE   7  -3.178   6.705  -1.846
   62   HG13  ILE   7          1HG1      ILE   7  -4.799   7.338  -2.114
   63   HG21  ILE   7          1HG2      ILE   7  -5.284   5.899  -4.927
   64   HG22  ILE   7          2HG2      ILE   7  -4.638   7.226  -5.891
   65   HG23  ILE   7          3HG2      ILE   7  -5.705   7.570  -4.528
   66   HD11  ILE   7          1HD1      ILE   7  -4.772   5.040  -1.273
   67   HD12  ILE   7          2HD1      ILE   7  -3.951   4.514  -2.742
   68   HD13  ILE   7          3HD1      ILE   7  -5.587   5.189  -2.828
   69    H    ASN   8           H        ASN   8  -1.709   8.249  -5.449
   70    HA   ASN   8           HA       ASN   8  -2.347   8.271  -8.114
   71    HB2  ASN   8          2HB       ASN   8  -1.418  10.239  -7.110
   72    HB3  ASN   8          1HB       ASN   8   0.053   9.410  -6.637
   73   HD21  ASN   8          1HD2      ASN   8  -1.283   9.136  -9.909
   74   HD22  ASN   8          2HD2      ASN   8  -0.013  10.022 -10.663
   75    H    HIS   9           H        HIS   9   0.381   6.683  -6.637
   76    HA   HIS   9           HA       HIS   9   2.050   6.176  -8.766
   77    HB2  HIS   9          2HB       HIS   9   2.567   5.869  -6.375
   78    HB3  HIS   9          1HB       HIS   9   1.517   4.455  -6.319
   79    HD1  HIS   9           HD1      HIS   9   4.918   5.600  -7.387
   80    HD2  HIS   9           HD2      HIS   9   2.631   2.124  -7.504
   81    HE1  HIS   9           HE1      HIS   9   6.530   3.746  -7.956
   82    HE2  HIS   9           HE2      HIS   9   5.115   1.673  -8.062
   83    H    ILE  10           H        ILE  10  -0.228   3.735  -7.402
   84    HA   ILE  10           HA       ILE  10  -0.135   2.218  -9.884
   85    HB   ILE  10           HB       ILE  10  -1.833   0.710  -8.624
   86   HG12  ILE  10          2HG1      ILE  10  -1.615   0.768  -6.119
   87   HG13  ILE  10          1HG1      ILE  10  -0.781   2.301  -6.238
   88   HG21  ILE  10          1HG2      ILE  10   0.456   0.053  -9.080
   89   HG22  ILE  10          2HG2      ILE  10  -0.004  -0.493  -7.469
   90   HG23  ILE  10          3HG2      ILE  10   1.034   0.925  -7.659
   91   HD11  ILE  10          1HD1      ILE  10  -3.631   1.737  -6.970
   92   HD12  ILE  10          2HD1      ILE  10  -2.815   3.293  -7.126
   93   HD13  ILE  10          3HD1      ILE  10  -3.049   2.576  -5.531
   94    H    ALA  11           H        ALA  11  -2.276   4.587  -8.461
   95    HA   ALA  11           HA       ALA  11  -4.706   4.087  -9.733
   96    HB1  ALA  11          1HB       ALA  11  -4.396   5.855  -8.043
   97    HB2  ALA  11          2HB       ALA  11  -5.181   6.482  -9.493
   98    HB3  ALA  11          3HB       ALA  11  -3.469   6.807  -9.205
   99    H    THR  12           H        THR  12  -1.697   5.149 -11.091
  100    HA   THR  12           HA       THR  12  -2.580   6.343 -13.503
  101    HB   THR  12           HB       THR  12   0.050   4.867 -13.047
  102    HG1  THR  12           HG1      THR  12   0.087   6.337 -11.450
  103   HG21  THR  12          1HG2      THR  12  -0.347   5.547 -15.404
  104   HG22  THR  12          2HG2      THR  12   0.970   6.466 -14.675
  105   HG23  THR  12          3HG2      THR  12  -0.617   7.209 -14.876
  106    H    GLN  13           H        GLN  13  -1.715   3.019 -12.607
  107    HA   GLN  13           HA       GLN  13  -2.235   1.983 -15.328
  108    HB2  GLN  13          2HB       GLN  13  -1.175  -0.108 -14.528
  109    HB3  GLN  13          1HB       GLN  13  -0.129   1.281 -14.252
  110    HG2  GLN  13          2HG       GLN  13  -0.724   1.320 -11.895
  111    HG3  GLN  13          1HG       GLN  13  -1.870   0.002 -12.123
  112   HE21  GLN  13          1HE2      GLN  13  -0.829  -1.289 -10.595
  113   HE22  GLN  13          2HE2      GLN  13   0.705  -2.025 -10.887
  114    H    PHE  14           H        PHE  14  -3.732   2.190 -12.249
  115    HA   PHE  14           HA       PHE  14  -5.475  -0.138 -12.653
  116    HB2  PHE  14          2HB       PHE  14  -4.401   1.306 -10.271
  117    HB3  PHE  14          1HB       PHE  14  -6.103   0.894 -10.123
  118    HD1  PHE  14           HD1      PHE  14  -5.856  -0.694  -8.333
  119    HD2  PHE  14           HD2      PHE  14  -3.595  -1.199 -11.934
  120    HE1  PHE  14           HE1      PHE  14  -5.317  -2.991  -7.679
  121    HE2  PHE  14           HE2      PHE  14  -3.053  -3.492 -11.259
  122    HZ   PHE  14           HZ       PHE  14  -3.919  -4.401  -9.141
  123    H    LEU  15           H        LEU  15  -5.589   3.389 -12.440
  124    HA   LEU  15           HA       LEU  15  -8.566   3.341 -12.708
  125    HB2  LEU  15          2HB       LEU  15  -7.011   5.424 -11.146
  126    HB3  LEU  15          1HB       LEU  15  -8.751   5.210 -11.209
  127    HG   LEU  15           HG       LEU  15  -6.794   3.326  -9.826
  128   HD11  LEU  15          1HD1      LEU  15  -8.727   5.328  -8.599
  129   HD12  LEU  15          2HD1      LEU  15  -6.983   5.554  -8.767
  130   HD13  LEU  15          3HD1      LEU  15  -7.601   4.260  -7.760
  131   HD21  LEU  15          1HD2      LEU  15  -8.801   2.272  -8.841
  132   HD22  LEU  15          2HD2      LEU  15  -8.788   2.110 -10.594
  133   HD23  LEU  15          3HD2      LEU  15  -9.848   3.299  -9.829
  134    H    ASP  16           H        ASP  16  -6.043   3.912 -14.536
  135    HA   ASP  16           HA       ASP  16  -5.786   4.993 -16.519
  136    HB2  ASP  16          2HB       ASP  16  -8.452   4.942 -16.426
  137    HB3  ASP  16          1HB       ASP  16  -8.303   6.650 -16.096
  138    H    GLY  17           H        GLY  17  -5.025   6.159 -13.793
  139    HA2  GLY  17          2HA       GLY  17  -3.587   7.916 -13.281
  140    HA3  GLY  17          1HA       GLY  17  -4.051   8.755 -14.750
  141    H    GLU  18           H        GLU  18  -6.786   7.708 -13.044
  142    HA   GLU  18           HA       GLU  18  -7.189  10.397 -11.851
  143    HB2  GLU  18          2HB       GLU  18  -9.381  10.400 -12.593
  144    HB3  GLU  18          1HB       GLU  18  -8.687   9.385 -13.856
  145    HG2  GLU  18          2HG       GLU  18  -9.473   7.373 -12.605
  146    HG3  GLU  18          1HG       GLU  18 -10.250   8.436 -11.432
  147    H    LYS  19           H        LYS  19  -8.055  10.477  -9.699
  148    HA   LYS  19           HA       LYS  19  -7.925   7.987  -8.129
  149    HB2  LYS  19          2HB       LYS  19  -8.474  10.813  -7.178
  150    HB3  LYS  19          1HB       LYS  19  -8.197   9.401  -6.159
  151    HG2  LYS  19          2HG       LYS  19  -5.885   9.260  -7.398
  152    HG3  LYS  19          1HG       LYS  19  -6.206  10.943  -7.826
  153    HD2  LYS  19          2HD       LYS  19  -6.092   9.797  -5.018
  154    HD3  LYS  19          1HD       LYS  19  -4.857  10.802  -5.775
  155    HE2  LYS  19          2HE       LYS  19  -6.475  12.679  -5.898
  156    HE3  LYS  19          1HE       LYS  19  -7.699  11.663  -5.136
  157    HZ1  LYS  19          1HZ       LYS  19  -6.261  11.511  -3.198
  158    HZ2  LYS  19          2HZ       LYS  19  -6.723  13.093  -3.542
  159    HZ3  LYS  19          3HZ       LYS  19  -5.159  12.576  -3.925
  160    H    ASP  20           H        ASP  20  -9.740   6.805  -7.962
  161    HA   ASP  20           HA       ASP  20 -12.342   8.001  -7.539
  162    HB2  ASP  20          2HB       ASP  20 -11.991   8.187 -10.013
  163    HB3  ASP  20          1HB       ASP  20 -11.818   6.435 -10.099
  164    H    GLY  21           H        GLY  21 -12.642   6.811  -5.741
  165    HA2  GLY  21          2HA       GLY  21 -13.689   4.981  -4.710
  166    HA3  GLY  21          1HA       GLY  21 -13.162   3.932  -6.017
  167    H    LEU  22           H        LEU  22 -10.436   5.033  -5.888
  168    HA   LEU  22           HA       LEU  22  -9.396   3.487  -3.614
  169    HB2  LEU  22          2HB       LEU  22  -8.859   2.937  -6.098
  170    HB3  LEU  22          1HB       LEU  22  -7.913   4.402  -6.093
  171    HG   LEU  22           HG       LEU  22  -6.414   3.453  -4.365
  172   HD11  LEU  22          1HD1      LEU  22  -8.048   1.980  -3.234
  173   HD12  LEU  22          2HD1      LEU  22  -6.586   1.112  -3.686
  174   HD13  LEU  22          3HD1      LEU  22  -8.058   0.912  -4.639
  175   HD21  LEU  22          1HD2      LEU  22  -5.355   1.745  -5.801
  176   HD22  LEU  22          2HD2      LEU  22  -5.835   3.175  -6.713
  177   HD23  LEU  22          3HD2      LEU  22  -6.803   1.701  -6.812
  178    H    ASP  23           H        ASP  23  -8.974   4.833  -1.958
  179    HA   ASP  23           HA       ASP  23  -7.214   7.131  -2.323
  180    HB2  ASP  23          2HB       ASP  23  -9.279   8.311  -2.464
  181    HB3  ASP  23          1HB       ASP  23 -10.042   7.310  -1.241
  182    H    SER  24           H        SER  24  -6.395   7.939  -0.279
  183    HA   SER  24           HA       SER  24  -5.028   5.934   1.036
  184    HB2  SER  24          2HB       SER  24  -5.420   8.795   1.990
  185    HB3  SER  24          1HB       SER  24  -4.025   7.748   2.273
  186    HG   SER  24           HG       SER  24  -4.112   9.433   0.433
  187    H    GLN  25           H        GLN  25  -7.703   7.967   2.225
  188    HA   GLN  25           HA       GLN  25  -7.720   6.622   4.825
  189    HB2  GLN  25          2HB       GLN  25  -9.388   8.963   3.848
  190    HB3  GLN  25          1HB       GLN  25  -9.313   8.351   5.497
  191    HG2  GLN  25          2HG       GLN  25  -7.111   9.741   3.953
  192    HG3  GLN  25          1HG       GLN  25  -7.929  10.289   5.410
  193   HE21  GLN  25          1HE2      GLN  25  -7.419   9.274   7.422
  194   HE22  GLN  25          2HE2      GLN  25  -5.941   8.405   7.635
  195    H    THR  26           H        THR  26  -9.267   6.442   1.814
  196    HA   THR  26           HA       THR  26 -11.766   5.314   2.543
  197    HB   THR  26           HB       THR  26 -10.144   5.116  -0.019
  198    HG1  THR  26           HG1      THR  26 -10.791   7.216   0.475
  199   HG21  THR  26          1HG2      THR  26 -13.052   4.367   0.486
  200   HG22  THR  26          2HG2      THR  26 -11.756   3.271   0.004
  201   HG23  THR  26          3HG2      THR  26 -12.314   4.515  -1.117
  202    HA   PRO  27           HA       PRO  27 -10.234   1.219   3.681
  203    HB2  PRO  27          2HB       PRO  27 -12.596  -0.113   3.754
  204    HB3  PRO  27          1HB       PRO  27 -12.153   1.075   5.001
  205    HG2  PRO  27          2HG       PRO  27 -13.944   1.439   2.612
  206    HG3  PRO  27          1HG       PRO  27 -14.210   1.968   4.285
  207    HD2  PRO  27          2HD       PRO  27 -13.302   3.659   2.377
  208    HD3  PRO  27          1HD       PRO  27 -12.806   3.809   4.074
  209    H    LEU  28           H        LEU  28  -9.053   0.342   2.027
  210    HA   LEU  28           HA       LEU  28  -9.958   0.253  -0.662
  211    HB2  LEU  28          2HB       LEU  28  -7.547  -1.220   0.449
  212    HB3  LEU  28          1HB       LEU  28  -7.802  -0.700  -1.208
  213    HG   LEU  28           HG       LEU  28  -7.205   1.068   1.196
  214   HD11  LEU  28          1HD1      LEU  28  -5.170   1.676  -0.022
  215   HD12  LEU  28          2HD1      LEU  28  -5.595   0.554  -1.318
  216   HD13  LEU  28          3HD1      LEU  28  -5.243  -0.056   0.301
  217   HD21  LEU  28          1HD2      LEU  28  -7.921   1.943  -1.616
  218   HD22  LEU  28          2HD2      LEU  28  -7.243   2.995  -0.377
  219   HD23  LEU  28          3HD2      LEU  28  -8.826   2.265  -0.138
  220    H    PHE  29           H        PHE  29  -9.488  -2.309   1.796
  221    HA   PHE  29           HA       PHE  29 -10.539  -4.332  -0.050
  222    HB2  PHE  29          2HB       PHE  29  -8.934  -4.442   2.466
  223    HB3  PHE  29          1HB       PHE  29 -10.021  -5.799   2.188
  224    HD1  PHE  29           HD1      PHE  29  -7.288  -3.813   0.558
  225    HD2  PHE  29           HD2      PHE  29  -9.437  -7.519   0.665
  226    HE1  PHE  29           HE1      PHE  29  -5.728  -4.776  -1.061
  227    HE2  PHE  29           HE2      PHE  29  -7.869  -8.463  -0.969
  228    HZ   PHE  29           HZ       PHE  29  -6.025  -7.094  -1.838
  229    H    GLU  30           H        GLU  30 -11.841  -2.421   2.527
  230    HA   GLU  30           HA       GLU  30 -14.096  -4.095   3.101
  231    HB2  GLU  30          2HB       GLU  30 -13.530  -2.183   4.549
  232    HB3  GLU  30          1HB       GLU  30 -13.785  -1.072   3.212
  233    HG2  GLU  30          2HG       GLU  30 -15.650  -0.969   4.771
  234    HG3  GLU  30          1HG       GLU  30 -16.184  -1.590   3.211
  235    H    LEU  31           H        LEU  31 -13.389  -1.623   0.681
  236    HA   LEU  31           HA       LEU  31 -15.926  -2.023  -0.731
  237    HB2  LEU  31          2HB       LEU  31 -13.577  -0.222  -1.418
  238    HB3  LEU  31          1HB       LEU  31 -15.181  -0.172  -2.139
  239    HG   LEU  31           HG       LEU  31 -14.441   0.577   0.711
  240   HD11  LEU  31          1HD1      LEU  31 -13.833   2.261  -0.942
  241   HD12  LEU  31          2HD1      LEU  31 -15.139   2.831   0.094
  242   HD13  LEU  31          3HD1      LEU  31 -15.492   2.293  -1.551
  243   HD21  LEU  31          1HD2      LEU  31 -16.628  -0.532   0.752
  244   HD22  LEU  31          2HD2      LEU  31 -17.221   0.525  -0.534
  245   HD23  LEU  31          3HD2      LEU  31 -16.812   1.196   1.046
  246    H    ASN  32           H        ASN  32 -12.688  -3.165  -0.787
  247    HA   ASN  32           HA       ASN  32 -11.474  -4.564  -2.091
  248    HB2  ASN  32          2HB       ASN  32 -14.272  -5.374  -2.940
  249    HB3  ASN  32          1HB       ASN  32 -12.868  -6.152  -3.662
  250   HD21  ASN  32          1HD2      ASN  32 -14.990  -7.238  -1.934
  251   HD22  ASN  32          2HD2      ASN  32 -14.171  -7.979  -0.605
  252    H    ILE  33           H        ILE  33 -11.374  -2.017  -2.952
  253    HA   ILE  33           HA       ILE  33 -11.908  -1.706  -5.759
  254    HB   ILE  33           HB       ILE  33 -10.117   0.024  -3.993
  255   HG12  ILE  33          2HG1      ILE  33 -12.401  -0.153  -3.013
  256   HG13  ILE  33          1HG1      ILE  33 -12.099   1.470  -3.621
  257   HG21  ILE  33          1HG2      ILE  33  -9.764   0.447  -6.389
  258   HG22  ILE  33          2HG2      ILE  33 -10.601   1.814  -5.653
  259   HG23  ILE  33          3HG2      ILE  33 -11.502   0.656  -6.633
  260   HD11  ILE  33          1HD1      ILE  33 -13.739  -0.665  -4.983
  261   HD12  ILE  33          2HD1      ILE  33 -13.433   0.954  -5.621
  262   HD13  ILE  33          3HD1      ILE  33 -14.348   0.751  -4.128
  263    H    VAL  34           H        VAL  34  -8.916  -2.221  -3.845
  264    HA   VAL  34           HA       VAL  34  -7.305  -2.328  -6.316
  265    HB   VAL  34           HB       VAL  34  -6.507  -0.857  -4.499
  266   HG11  VAL  34          1HG1      VAL  34  -5.540  -1.732  -2.409
  267   HG12  VAL  34          2HG1      VAL  34  -6.039  -3.366  -2.854
  268   HG13  VAL  34          3HG1      VAL  34  -7.259  -2.131  -2.526
  269   HG21  VAL  34          1HG2      VAL  34  -4.574  -3.131  -5.053
  270   HG22  VAL  34          2HG2      VAL  34  -4.124  -1.522  -4.482
  271   HG23  VAL  34          3HG2      VAL  34  -4.847  -1.720  -6.077
  272    H    ASP  35           H        ASP  35  -5.995  -4.054  -6.882
  273    HA   ASP  35           HA       ASP  35  -6.736  -6.707  -5.861
  274    HB2  ASP  35          2HB       ASP  35  -5.088  -5.910  -8.305
  275    HB3  ASP  35          1HB       ASP  35  -5.509  -7.564  -7.868
  276    H    SER  36           H        SER  36  -4.886  -8.328  -5.823
  277    HA   SER  36           HA       SER  36  -2.906  -7.616  -3.940
  278    HB2  SER  36          2HB       SER  36  -3.946  -9.951  -4.429
  279    HB3  SER  36          1HB       SER  36  -2.744 -10.087  -5.712
  280    H    ALA  37           H        ALA  37  -2.889  -7.826  -7.461
  281    HA   ALA  37           HA       ALA  37  -0.195  -8.019  -8.070
  282    HB1  ALA  37          1HB       ALA  37  -0.757  -7.062 -10.261
  283    HB2  ALA  37          2HB       ALA  37  -2.299  -6.482  -9.622
  284    HB3  ALA  37          3HB       ALA  37  -1.988  -8.215  -9.739
  285    H    ALA  38           H        ALA  38  -2.014  -5.138  -7.139
  286    HA   ALA  38           HA       ALA  38  -0.087  -3.193  -7.995
  287    HB1  ALA  38          1HB       ALA  38  -2.422  -2.921  -6.080
  288    HB2  ALA  38          2HB       ALA  38  -2.454  -2.618  -7.814
  289    HB3  ALA  38          3HB       ALA  38  -1.501  -1.577  -6.759
  290    H    ILE  39           H        ILE  39  -0.441  -5.135  -5.160
  291    HA   ILE  39           HA       ILE  39   0.575  -3.453  -3.155
  292    HB   ILE  39           HB       ILE  39   0.711  -6.495  -3.278
  293   HG12  ILE  39          2HG1      ILE  39  -1.586  -5.749  -3.561
  294   HG13  ILE  39          1HG1      ILE  39  -1.412  -6.427  -1.951
  295   HG21  ILE  39          1HG2      ILE  39   0.827  -6.442  -0.796
  296   HG22  ILE  39          2HG2      ILE  39   0.926  -4.680  -0.839
  297   HG23  ILE  39          3HG2      ILE  39   2.226  -5.654  -1.535
  298   HD11  ILE  39          1HD1      ILE  39  -1.566  -3.503  -2.672
  299   HD12  ILE  39          2HD1      ILE  39  -1.309  -4.131  -1.042
  300   HD13  ILE  39          3HD1      ILE  39  -2.810  -4.482  -1.896
  301    H    PHE  40           H        PHE  40   2.272  -5.604  -5.421
  302    HA   PHE  40           HA       PHE  40   4.869  -5.445  -4.294
  303    HB2  PHE  40          2HB       PHE  40   4.271  -7.143  -5.982
  304    HB3  PHE  40          1HB       PHE  40   4.004  -5.892  -7.189
  305    HD1  PHE  40           HD1      PHE  40   6.730  -7.115  -4.881
  306    HD2  PHE  40           HD2      PHE  40   5.751  -5.479  -8.724
  307    HE1  PHE  40           HE1      PHE  40   9.086  -7.295  -5.570
  308    HE2  PHE  40           HE2      PHE  40   8.110  -5.669  -9.395
  309    HZ   PHE  40           HZ       PHE  40   9.775  -6.577  -7.824
  310    H    ASP  41           H        ASP  41   3.092  -3.376  -6.488
  311    HA   ASP  41           HA       ASP  41   5.355  -1.677  -7.148
  312    HB2  ASP  41          2HB       ASP  41   3.470  -2.360  -8.740
  313    HB3  ASP  41          1HB       ASP  41   2.412  -1.296  -7.831
  314    H    LEU  42           H        LEU  42   2.718  -1.771  -4.874
  315    HA   LEU  42           HA       LEU  42   2.760   0.966  -3.982
  316    HB2  LEU  42          2HB       LEU  42   1.544  -1.608  -2.937
  317    HB3  LEU  42          1HB       LEU  42   1.526  -0.174  -1.927
  318    HG   LEU  42           HG       LEU  42   0.263  -0.274  -4.698
  319   HD11  LEU  42          1HD1      LEU  42  -1.127  -0.564  -2.016
  320   HD12  LEU  42          2HD1      LEU  42  -0.891  -1.852  -3.199
  321   HD13  LEU  42          3HD1      LEU  42  -1.906  -0.469  -3.600
  322   HD21  LEU  42          1HD2      LEU  42   0.059   1.768  -2.452
  323   HD22  LEU  42          2HD2      LEU  42  -0.879   1.795  -3.946
  324   HD23  LEU  42          3HD2      LEU  42   0.871   1.988  -4.006
  325    H    VAL  43           H        VAL  43   4.209  -2.073  -2.899
  326    HA   VAL  43           HA       VAL  43   4.920  -1.145  -0.295
  327    HB   VAL  43           HB       VAL  43   4.433  -3.536  -0.893
  328   HG11  VAL  43          1HG1      VAL  43   5.686  -3.696  -3.003
  329   HG12  VAL  43          2HG1      VAL  43   6.163  -4.966  -1.877
  330   HG13  VAL  43          3HG1      VAL  43   7.212  -3.568  -2.118
  331   HG21  VAL  43          1HG2      VAL  43   6.071  -4.516   0.655
  332   HG22  VAL  43          2HG2      VAL  43   5.504  -2.955   1.245
  333   HG23  VAL  43          3HG2      VAL  43   7.094  -3.089   0.493
  334    H    ASP  44           H        ASP  44   6.517  -1.101  -3.393
  335    HA   ASP  44           HA       ASP  44   9.206  -0.688  -2.755
  336    HB2  ASP  44          2HB       ASP  44   8.364  -0.820  -5.090
  337    HB3  ASP  44          1HB       ASP  44   7.560   0.718  -4.901
  338    H    PHE  45           H        PHE  45   6.496   1.519  -2.844
  339    HA   PHE  45           HA       PHE  45   7.821   3.932  -2.437
  340    HB2  PHE  45          2HB       PHE  45   5.494   3.586  -3.320
  341    HB3  PHE  45          1HB       PHE  45   4.973   3.130  -1.710
  342    HD1  PHE  45           HD1      PHE  45   5.786   5.907  -3.950
  343    HD2  PHE  45           HD2      PHE  45   4.785   4.866   0.084
  344    HE1  PHE  45           HE1      PHE  45   5.205   8.248  -3.476
  345    HE2  PHE  45           HE2      PHE  45   4.215   7.203   0.532
  346    HZ   PHE  45           HZ       PHE  45   4.424   8.896  -1.239
  347    H    LEU  46           H        LEU  46   6.346   1.621  -0.182
  348    HA   LEU  46           HA       LEU  46   6.710   3.211   2.181
  349    HB2  LEU  46          2HB       LEU  46   5.999   0.283   1.877
  350    HB3  LEU  46          1HB       LEU  46   5.924   1.182   3.387
  351    HG   LEU  46           HG       LEU  46   4.205   1.690   0.924
  352   HD11  LEU  46          1HD1      LEU  46   3.598  -0.357   2.111
  353   HD12  LEU  46          2HD1      LEU  46   2.357   0.878   2.284
  354   HD13  LEU  46          3HD1      LEU  46   3.454   0.544   3.625
  355   HD21  LEU  46          1HD2      LEU  46   4.649   3.812   2.067
  356   HD22  LEU  46          2HD2      LEU  46   4.169   3.114   3.615
  357   HD23  LEU  46          3HD2      LEU  46   2.977   3.323   2.330
  358    H    ARG  47           H        ARG  47   8.454   0.382   0.819
  359    HA   ARG  47           HA       ARG  47  10.135  -0.040   3.087
  360    HB2  ARG  47          2HB       ARG  47  11.414  -1.566   1.704
  361    HB3  ARG  47          1HB       ARG  47   9.719  -1.765   1.285
  362    HG2  ARG  47          2HG       ARG  47  10.145  -0.250  -0.702
  363    HG3  ARG  47          1HG       ARG  47  11.853  -0.338  -0.329
  364    HD2  ARG  47          2HD       ARG  47  10.119  -2.752  -0.947
  365    HD3  ARG  47          1HD       ARG  47  11.079  -1.898  -2.152
  366    HE   ARG  47           HE       ARG  47  12.004  -3.796  -0.211
  367   HH11  ARG  47          1HH1      ARG  47  13.082  -1.026  -2.113
  368   HH12  ARG  47          2HH1      ARG  47  14.746  -1.508  -2.077
  369   HH21  ARG  47          1HH2      ARG  47  14.181  -4.455  -0.302
  370   HH22  ARG  47          2HH2      ARG  47  15.365  -3.439  -1.059
  371    H    GLN  48           H        GLN  48  10.290   2.002   0.293
  372    HA   GLN  48           HA       GLN  48  12.964   2.864   0.312
  373    HB2  GLN  48          2HB       GLN  48  11.311   3.134  -1.564
  374    HB3  GLN  48          1HB       GLN  48  10.452   4.330  -0.602
  375    HG2  GLN  48          2HG       GLN  48  12.503   5.773  -0.643
  376    HG3  GLN  48          1HG       GLN  48  13.263   4.595  -1.715
  377   HE21  GLN  48          1HE2      GLN  48  10.740   4.052  -3.192
  378   HE22  GLN  48          2HE2      GLN  48  10.481   5.444  -4.172
  379    H    GLU  49           H        GLU  49   9.992   4.378   1.585
  380    HA   GLU  49           HA       GLU  49  11.233   6.593   2.857
  381    HB2  GLU  49          2HB       GLU  49   8.476   5.354   3.225
  382    HB3  GLU  49          1HB       GLU  49   8.954   6.902   3.914
  383    HG2  GLU  49          2HG       GLU  49   8.757   6.218   0.964
  384    HG3  GLU  49          1HG       GLU  49   7.663   7.261   1.872
  385    H    SER  50           H        SER  50  10.210   3.442   3.975
  386    HA   SER  50           HA       SER  50  10.717   3.851   6.763
  387    HB2  SER  50          2HB       SER  50   9.160   2.120   5.915
  388    HB3  SER  50          1HB       SER  50  10.515   1.234   5.214
  389    HG   SER  50           HG       SER  50  11.329   1.017   7.336
  390    H    LYS  51           H        LYS  51  12.791   3.362   4.130
  391    HA   LYS  51           HA       LYS  51  14.982   3.015   3.815
  392    HB2  LYS  51          2HB       LYS  51  15.361   3.274   6.829
  393    HB3  LYS  51          1HB       LYS  51  16.565   3.567   5.583
  394    HG2  LYS  51          2HG       LYS  51  14.071   5.239   6.000
  395    HG3  LYS  51          1HG       LYS  51  15.666   5.637   6.632
  396    HD2  LYS  51          2HD       LYS  51  16.559   5.919   4.400
  397    HD3  LYS  51          1HD       LYS  51  15.063   5.318   3.669
  398    HE2  LYS  51          2HE       LYS  51  15.291   7.814   3.605
  399    HE3  LYS  51          1HE       LYS  51  13.838   7.263   4.441
  400    HZ1  LYS  51          1HZ       LYS  51  14.988   9.065   5.607
  401    HZ2  LYS  51          2HZ       LYS  51  16.360   8.096   5.779
  402    HZ3  LYS  51          3HZ       LYS  51  14.919   7.661   6.542
  403    H    VAL  52           H        VAL  52  13.120   0.774   4.498
  404    HA   VAL  52           HA       VAL  52  15.027  -1.263   5.493
  405    HB   VAL  52           HB       VAL  52  13.097  -2.627   6.117
  406   HG11  VAL  52          1HG1      VAL  52  14.005  -1.145   7.828
  407   HG12  VAL  52          2HG1      VAL  52  12.268  -1.349   8.045
  408   HG13  VAL  52          3HG1      VAL  52  12.896   0.137   7.330
  409   HG21  VAL  52          1HG2      VAL  52  11.323  -0.359   5.171
  410   HG22  VAL  52          2HG2      VAL  52  10.761  -1.756   6.088
  411   HG23  VAL  52          3HG2      VAL  52  11.429  -1.977   4.469
  412    H    SER  53           H        SER  53  15.082  -3.260   4.429
  413    HA   SER  53           HA       SER  53  13.714  -3.500   1.811
  414    HB2  SER  53          2HB       SER  53  15.259  -5.530   1.581
  415    HB3  SER  53          1HB       SER  53  16.096  -3.980   1.671
  416    HG   SER  53           HG       SER  53  15.805  -5.930   3.707
  417    H    ILE  54           H        ILE  54  11.700  -4.142   2.253
  418    HA   ILE  54           HA       ILE  54  10.991  -5.815   4.498
  419    HB   ILE  54           HB       ILE  54   9.517  -3.977   3.866
  420   HG12  ILE  54          2HG1      ILE  54   8.207  -6.681   3.346
  421   HG13  ILE  54          1HG1      ILE  54   8.446  -5.940   4.921
  422   HG21  ILE  54          1HG2      ILE  54   8.279  -3.896   1.764
  423   HG22  ILE  54          2HG2      ILE  54   9.052  -5.381   1.215
  424   HG23  ILE  54          3HG2      ILE  54  10.013  -3.916   1.440
  425   HD11  ILE  54          1HD1      ILE  54   6.159  -5.771   4.209
  426   HD12  ILE  54          2HD1      ILE  54   6.638  -4.948   2.729
  427   HD13  ILE  54          3HD1      ILE  54   6.873  -4.160   4.294
  428    H    GLY  55           H        GLY  55  10.267  -7.932   4.442
  429    HA2  GLY  55          2HA       GLY  55  11.201  -9.549   2.232
  430    HA3  GLY  55          1HA       GLY  55  10.517 -10.128   3.743
  431    H    MET  56           H        MET  56   9.953 -11.030   1.027
  432    HA   MET  56           HA       MET  56   7.595  -9.962  -0.058
  433    HB2  MET  56          2HB       MET  56   8.608 -12.813  -0.317
  434    HB3  MET  56          1HB       MET  56   7.377 -12.073  -1.335
  435    HG2  MET  56          2HG       MET  56  10.317 -11.404  -1.211
  436    HG3  MET  56          1HG       MET  56   9.404 -12.064  -2.569
  437    HE1  MET  56          1HE       MET  56   6.729 -10.108  -2.358
  438    HE2  MET  56          2HE       MET  56   7.493 -10.608  -3.869
  439    HE3  MET  56          3HE       MET  56   7.200  -8.899  -3.557
  440    H    GLN  57           H        GLN  57   7.986 -12.047   2.694
  441    HA   GLN  57           HA       GLN  57   5.376 -13.203   2.763
  442    HB2  GLN  57          2HB       GLN  57   7.432 -12.728   4.958
  443    HB3  GLN  57          1HB       GLN  57   5.948 -13.649   5.186
  444    HG2  GLN  57          2HG       GLN  57   6.676 -15.356   3.642
  445    HG3  GLN  57          1HG       GLN  57   8.060 -14.388   3.144
  446   HE21  GLN  57          1HE2      GLN  57   6.738 -16.406   5.667
  447   HE22  GLN  57          2HE2      GLN  57   8.218 -16.628   6.530
  448    H    GLU  58           H        GLU  58   6.811 -10.237   4.137
  449    HA   GLU  58           HA       GLU  58   4.447  -9.506   5.655
  450    HB2  GLU  58          2HB       GLU  58   6.827  -7.750   4.922
  451    HB3  GLU  58          1HB       GLU  58   5.666  -7.462   6.210
  452    HG2  GLU  58          2HG       GLU  58   7.801  -9.601   6.089
  453    HG3  GLU  58          1HG       GLU  58   7.697  -8.244   7.209
  454    H    ILE  59           H        ILE  59   5.725  -8.964   2.474
  455    HA   ILE  59           HA       ILE  59   3.837  -6.944   1.667
  456    HB   ILE  59           HB       ILE  59   5.379  -8.853  -0.153
  457   HG12  ILE  59          2HG1      ILE  59   6.283  -6.133   0.897
  458   HG13  ILE  59          1HG1      ILE  59   6.971  -7.686   1.353
  459   HG21  ILE  59          1HG2      ILE  59   4.212  -6.114  -0.742
  460   HG22  ILE  59          2HG2      ILE  59   3.532  -7.664  -1.249
  461   HG23  ILE  59          3HG2      ILE  59   5.100  -7.148  -1.876
  462   HD11  ILE  59          1HD1      ILE  59   8.373  -6.528  -0.238
  463   HD12  ILE  59          2HD1      ILE  59   7.047  -6.466  -1.399
  464   HD13  ILE  59          3HD1      ILE  59   7.748  -8.022  -0.936
  465    H    HIS  60           H        HIS  60   1.856  -8.002   2.489
  466    HA   HIS  60           HA       HIS  60   0.690  -9.411   0.214
  467    HB2  HIS  60          2HB       HIS  60  -0.585 -11.006   1.579
  468    HB3  HIS  60          1HB       HIS  60   1.142 -11.290   1.663
  469    HD1  HIS  60           HD1      HIS  60   1.966 -11.785   3.922
  470    HD2  HIS  60           HD2      HIS  60  -1.526  -9.550   4.044
  471    HE1  HIS  60           HE1      HIS  60   1.321 -11.673   6.339
  472    HE2  HIS  60           HE2      HIS  60  -0.863 -10.424   6.374
  473    HA   PRO  61           HA       PRO  61  -2.225  -6.280   0.209
  474    HB2  PRO  61          2HB       PRO  61  -4.569  -7.568  -0.571
  475    HB3  PRO  61          1HB       PRO  61  -3.214  -7.232  -1.663
  476    HG2  PRO  61          2HG       PRO  61  -3.836  -9.747  -0.148
  477    HG3  PRO  61          1HG       PRO  61  -3.412  -9.546  -1.867
  478    HD2  PRO  61          2HD       PRO  61  -1.557 -10.319  -0.138
  479    HD3  PRO  61          1HD       PRO  61  -1.137  -9.113  -1.386
  480    H    ALA  62           H        ALA  62  -3.099  -8.909   2.396
  481    HA   ALA  62           HA       ALA  62  -5.388  -7.734   3.608
  482    HB1  ALA  62          1HB       ALA  62  -3.384  -9.651   4.851
  483    HB2  ALA  62          2HB       ALA  62  -4.806 -10.111   3.916
  484    HB3  ALA  62          3HB       ALA  62  -5.000  -9.301   5.471
  485    H    ASN  63           H        ASN  63  -1.942  -7.296   4.106
  486    HA   ASN  63           HA       ASN  63  -2.205  -5.661   6.496
  487    HB2  ASN  63          2HB       ASN  63   0.163  -6.470   4.750
  488    HB3  ASN  63          1HB       ASN  63   0.326  -5.374   6.122
  489   HD21  ASN  63          1HD2      ASN  63   1.814  -6.978   6.946
  490   HD22  ASN  63          2HD2      ASN  63   1.200  -8.352   7.788
  491    H    PHE  64           H        PHE  64  -2.121  -5.175   3.071
  492    HA   PHE  64           HA       PHE  64  -1.658  -2.261   3.309
  493    HB2  PHE  64          2HB       PHE  64  -1.596  -4.107   0.869
  494    HB3  PHE  64          1HB       PHE  64  -1.318  -2.370   0.818
  495    HD1  PHE  64           HD1      PHE  64  -0.005  -5.503   2.375
  496    HD2  PHE  64           HD2      PHE  64   0.905  -1.553   1.022
  497    HE1  PHE  64           HE1      PHE  64   2.374  -5.932   2.756
  498    HE2  PHE  64           HE2      PHE  64   3.290  -1.992   1.416
  499    HZ   PHE  64           HZ       PHE  64   4.026  -4.177   2.279
  500    H    ALA  65           H        ALA  65  -4.150  -3.931   3.906
  501    HA   ALA  65           HA       ALA  65  -6.169  -3.529   1.999
  502    HB1  ALA  65          1HB       ALA  65  -6.305  -5.179   3.812
  503    HB2  ALA  65          2HB       ALA  65  -7.722  -4.127   3.801
  504    HB3  ALA  65          3HB       ALA  65  -6.443  -3.876   4.995
  505    H    THR  66           H        THR  66  -4.850  -1.342   4.326
  506    HA   THR  66           HA       THR  66  -6.292   0.885   3.107
  507    HB   THR  66           HB       THR  66  -6.571   1.979   5.420
  508    HG1  THR  66           HG1      THR  66  -6.080  -0.694   6.250
  509   HG21  THR  66          1HG2      THR  66  -8.568   1.094   4.254
  510   HG22  THR  66          2HG2      THR  66  -8.694   0.911   6.005
  511   HG23  THR  66          3HG2      THR  66  -8.295  -0.483   5.000
  512    H    VAL  67           H        VAL  67  -5.142   2.996   3.768
  513    HA   VAL  67           HA       VAL  67  -2.294   2.637   3.735
  514    HB   VAL  67           HB       VAL  67  -3.995   5.142   3.920
  515   HG11  VAL  67          1HG1      VAL  67  -1.928   6.460   3.489
  516   HG12  VAL  67          2HG1      VAL  67  -0.962   4.998   3.690
  517   HG13  VAL  67          3HG1      VAL  67  -1.868   5.651   5.055
  518   HG21  VAL  67          1HG2      VAL  67  -3.207   5.468   1.584
  519   HG22  VAL  67          2HG2      VAL  67  -4.093   3.954   1.774
  520   HG23  VAL  67          3HG2      VAL  67  -2.329   3.940   1.673
  521    H    GLN  68           H        GLN  68  -4.667   3.444   6.252
  522    HA   GLN  68           HA       GLN  68  -2.820   4.083   8.293
  523    HB2  GLN  68          2HB       GLN  68  -4.647   3.554   9.907
  524    HB3  GLN  68          1HB       GLN  68  -5.185   4.612   8.608
  525    HG2  GLN  68          2HG       GLN  68  -6.381   2.830   7.534
  526    HG3  GLN  68          1HG       GLN  68  -5.660   1.623   8.598
  527   HE21  GLN  68          1HE2      GLN  68  -7.714   0.868   9.237
  528   HE22  GLN  68          2HE2      GLN  68  -8.741   1.771  10.297
  529    H    SER  69           H        SER  69  -4.079   0.935   7.147
  530    HA   SER  69           HA       SER  69  -2.852  -0.601   9.243
  531    HB2  SER  69          2HB       SER  69  -3.531  -2.590   7.944
  532    HB3  SER  69          1HB       SER  69  -4.861  -1.439   8.055
  533    HG   SER  69           HG       SER  69  -3.142  -1.855   5.831
  534    H    MET  70           H        MET  70  -1.889   0.358   5.937
  535    HA   MET  70           HA       MET  70   0.298  -1.519   5.785
  536    HB2  MET  70          2HB       MET  70   0.810  -0.618   3.637
  537    HB3  MET  70          1HB       MET  70  -0.944  -0.592   3.757
  538    HG2  MET  70          2HG       MET  70  -0.905   1.805   4.181
  539    HG3  MET  70          1HG       MET  70   0.854   1.810   4.175
  540    HE1  MET  70          1HE       MET  70  -2.413   1.467   1.947
  541    HE2  MET  70          2HE       MET  70  -1.659  -0.116   1.746
  542    HE3  MET  70          3HE       MET  70  -1.713   1.017   0.393
  543    H    VAL  71           H        VAL  71  -0.031   1.926   6.637
  544    HA   VAL  71           HA       VAL  71   2.757   2.446   7.019
  545    HB   VAL  71           HB       VAL  71   0.287   3.846   8.149
  546   HG11  VAL  71          1HG1      VAL  71   3.185   4.773   8.366
  547   HG12  VAL  71          2HG1      VAL  71   2.162   4.257   9.707
  548   HG13  VAL  71          3HG1      VAL  71   1.774   5.730   8.819
  549   HG21  VAL  71          1HG2      VAL  71   0.560   4.031   5.703
  550   HG22  VAL  71          2HG2      VAL  71   2.194   4.662   5.921
  551   HG23  VAL  71          3HG2      VAL  71   0.806   5.597   6.481
  552    H    ALA  72           H        ALA  72   0.108   1.401   9.174
  553    HA   ALA  72           HA       ALA  72   1.526   1.391  11.590
  554    HB1  ALA  72          1HB       ALA  72  -0.245  -0.099  12.446
  555    HB2  ALA  72          2HB       ALA  72  -0.813  -0.368  10.796
  556    HB3  ALA  72          3HB       ALA  72  -0.925   1.239  11.515
  557    H    LEU  73           H        LEU  73   1.131  -1.107   9.104
  558    HA   LEU  73           HA       LEU  73   2.281  -3.342  10.317
  559    HB2  LEU  73          2HB       LEU  73   1.238  -3.917   8.319
  560    HB3  LEU  73          1HB       LEU  73   1.656  -2.400   7.549
  561    HG   LEU  73           HG       LEU  73   4.038  -3.341   7.319
  562   HD11  LEU  73          1HD1      LEU  73   4.288  -5.788   7.262
  563   HD12  LEU  73          2HD1      LEU  73   2.656  -5.974   7.910
  564   HD13  LEU  73          3HD1      LEU  73   3.910  -5.192   8.876
  565   HD21  LEU  73          1HD2      LEU  73   2.517  -3.023   5.446
  566   HD22  LEU  73          2HD2      LEU  73   1.816  -4.619   5.712
  567   HD23  LEU  73          3HD2      LEU  73   3.504  -4.465   5.219
  568    H    VAL  74           H        VAL  74   3.674  -0.751   8.340
  569    HA   VAL  74           HA       VAL  74   6.315  -1.599   8.230
  570    HB   VAL  74           HB       VAL  74   5.200   1.236   8.198
  571   HG11  VAL  74          1HG1      VAL  74   7.389   1.941   7.241
  572   HG12  VAL  74          2HG1      VAL  74   8.033   0.330   7.553
  573   HG13  VAL  74          3HG1      VAL  74   7.544   1.363   8.898
  574   HG21  VAL  74          1HG2      VAL  74   6.146  -0.544   5.905
  575   HG22  VAL  74          2HG2      VAL  74   5.522   1.099   5.743
  576   HG23  VAL  74          3HG2      VAL  74   4.464  -0.193   6.307
  577    H    GLN  75           H        GLN  75   4.771   0.537  10.655
  578    HA   GLN  75           HA       GLN  75   7.185   1.082  12.105
  579    HB2  GLN  75          2HB       GLN  75   4.409   1.177  13.366
  580    HB3  GLN  75          1HB       GLN  75   5.803   2.184  13.718
  581    HG2  GLN  75          2HG       GLN  75   3.958   2.324  11.336
  582    HG3  GLN  75          1HG       GLN  75   4.214   3.541  12.581
  583   HE21  GLN  75          1HE2      GLN  75   4.438   3.582   9.607
  584   HE22  GLN  75          2HE2      GLN  75   6.003   4.225   9.275
  585    H    ARG  76           H        ARG  76   4.866  -1.518  12.205
  586    HA   ARG  76           HA       ARG  76   5.563  -2.614  14.763
  587    HB2  ARG  76          2HB       ARG  76   3.979  -3.691  12.404
  588    HB3  ARG  76          1HB       ARG  76   4.209  -4.611  13.890
  589    HG2  ARG  76          2HG       ARG  76   2.944  -3.076  15.189
  590    HG3  ARG  76          1HG       ARG  76   3.045  -1.815  13.958
  591    HD2  ARG  76          2HD       ARG  76   0.793  -2.781  14.089
  592    HD3  ARG  76          1HD       ARG  76   1.528  -3.067  12.513
  593    HE   ARG  76           HE       ARG  76   2.090  -5.361  13.499
  594   HH11  ARG  76          1HH1      ARG  76  -0.833  -3.613  14.365
  595   HH12  ARG  76          2HH1      ARG  76  -1.733  -5.059  14.687
  596   HH21  ARG  76          1HH2      ARG  76   0.862  -7.233  13.854
  597   HH22  ARG  76          2HH2      ARG  76  -0.781  -7.096  14.400
  598    H    LEU  77           H        LEU  77   6.477  -3.333  11.361
  599    HA   LEU  77           HA       LEU  77   8.267  -5.466  12.131
  600    HB2  LEU  77          2HB       LEU  77   8.979  -5.523   9.761
  601    HB3  LEU  77          1HB       LEU  77   7.250  -5.659   9.979
  602    HG   LEU  77           HG       LEU  77   7.110  -3.181   9.323
  603   HD11  LEU  77          1HD1      LEU  77   9.963  -3.628   8.391
  604   HD12  LEU  77          2HD1      LEU  77   9.382  -2.436   9.563
  605   HD13  LEU  77          3HD1      LEU  77   8.921  -2.298   7.868
  606   HD21  LEU  77          1HD2      LEU  77   6.361  -4.962   7.878
  607   HD22  LEU  77          2HD2      LEU  77   7.996  -5.207   7.259
  608   HD23  LEU  77          3HD2      LEU  77   7.136  -3.701   6.923
  609    H    LYS  78           H        LYS  78   8.528  -2.036  11.975
  610    HA   LYS  78           HA       LYS  78  11.357  -1.734  11.776
  611    HB2  LYS  78          2HB       LYS  78   9.220   0.016  13.050
  612    HB3  LYS  78          1HB       LYS  78  10.904   0.509  12.922
  613    HG2  LYS  78          2HG       LYS  78   9.061  -0.115  10.600
  614    HG3  LYS  78          1HG       LYS  78   9.485   1.499  11.155
  615    HD2  LYS  78          2HD       LYS  78  11.536  -0.521  10.196
  616    HD3  LYS  78          1HD       LYS  78  10.752   0.640   9.133
  617    HE2  LYS  78          2HE       LYS  78  12.416   1.354  11.552
  618    HE3  LYS  78          1HE       LYS  78  12.961   1.413   9.874
  619    HZ1  LYS  78          1HZ       LYS  78  11.216   3.056   9.454
  620    HZ2  LYS  78          2HZ       LYS  78  12.334   3.586  10.602
  621    HZ3  LYS  78          3HZ       LYS  78  10.813   3.043  11.094
  622    H    ALA  79           H        ALA  79   9.127  -2.216  14.469
  623    HA   ALA  79           HA       ALA  79  11.005  -1.983  16.586
  624    HB1  ALA  79          1HB       ALA  79   8.579  -1.761  16.950
  625    HB2  ALA  79          2HB       ALA  79   9.241  -3.040  17.968
  626    HB3  ALA  79          3HB       ALA  79   8.341  -3.455  16.506
  627    H    HIS  80           H        HIS  80  10.413  -4.410  14.262
  628    HA   HIS  80           HA       HIS  80  11.655  -6.614  15.746
  629    HB2  HIS  80          2HB       HIS  80  10.363  -6.507  12.977
  630    HB3  HIS  80          1HB       HIS  80  10.930  -7.971  13.786
  631    HD1  HIS  80           HD1      HIS  80   7.915  -7.426  12.938
  632    HD2  HIS  80           HD2      HIS  80   9.488  -6.971  16.759
  633    HE1  HIS  80           HE1      HIS  80   5.966  -7.632  14.506
  634    HE2  HIS  80           HE2      HIS  80   6.947  -7.371  16.801
  635    HA   PRO  81           HA       PRO  81  15.667  -5.852  14.152
  636    HB2  PRO  81          2HB       PRO  81  16.846  -8.316  14.113
  637    HB3  PRO  81          1HB       PRO  81  16.319  -7.543  15.620
  638    HG2  PRO  81          2HG       PRO  81  14.929  -9.682  14.037
  639    HG3  PRO  81          1HG       PRO  81  15.148  -9.555  15.796
  640    HD2  PRO  81          2HD       PRO  81  12.820  -8.829  14.516
  641    HD3  PRO  81          1HD       PRO  81  13.358  -8.104  16.049
  642    H    GLU  82           H        GLU  82  14.133  -8.487  12.353
  643    HA   GLU  82           HA       GLU  82  14.653  -7.337   9.786
  644    HB2  GLU  82          2HB       GLU  82  16.857  -8.423  10.143
  645    HB3  GLU  82          1HB       GLU  82  16.074  -9.962  10.494
  646    HG2  GLU  82          2HG       GLU  82  15.238 -10.108   8.194
  647    HG3  GLU  82          1HG       GLU  82  15.879  -8.505   7.828
  648    H    GLN  83           H        GLN  83  12.585  -7.530   9.207
  649    HA   GLN  83           HA       GLN  83  11.049  -9.928  10.015
  650    HB2  GLN  83          2HB       GLN  83  10.474  -7.643  11.009
  651    HB3  GLN  83          1HB       GLN  83   9.960  -7.154   9.399
  652    HG2  GLN  83          2HG       GLN  83   8.074  -7.822  10.829
  653    HG3  GLN  83          1HG       GLN  83   8.212  -8.861   9.407
  654   HE21  GLN  83          1HE2      GLN  83   8.718 -11.040   9.698
  655   HE22  GLN  83          2HE2      GLN  83   8.755 -11.794  11.253
  656    H    GLY  84           H        GLY  84  10.599 -11.243   8.431
  657    HA2  GLY  84          2HA       GLY  84   9.599 -11.852   6.372
  658    HA3  GLY  84          1HA       GLY  84  10.035 -10.290   5.696
  659    H    GLY  85           H        GLY  85  11.626 -13.125   7.175
  660    HA2  GLY  85          2HA       GLY  85  13.990 -12.955   5.522
  661    HA3  GLY  85          1HA       GLY  85  13.548 -14.282   6.591
  662    H    ALA  86           H        ALA  86  12.794 -12.797   3.472
  663    HA   ALA  86           HA       ALA  86  11.620 -15.345   2.522
  664    HB1  ALA  86          1HB       ALA  86  10.597 -12.552   1.917
  665    HB2  ALA  86          2HB       ALA  86   9.859 -13.705   3.031
  666    HB3  ALA  86          3HB       ALA  86   9.928 -14.069   1.306
  667    H    ALA  87           H        ALA  87  13.246 -16.075   1.265
  668    HA   ALA  87           HA       ALA  87  14.157 -14.493  -1.059
  669    HB1  ALA  87          1HB       ALA  87  15.879 -15.734   0.221
  670    HB2  ALA  87          2HB       ALA  87  15.727 -16.364  -1.419
  671    HB3  ALA  87          3HB       ALA  87  15.009 -17.243  -0.068
  672    H    LEU  88           H        LEU  88  11.449 -15.024  -0.959
  673    HA   LEU  88           HA       LEU  88  10.529 -17.428  -2.115
  674    HB2  LEU  88          2HB       LEU  88   9.260 -14.662  -2.026
  675    HB3  LEU  88          1HB       LEU  88   8.419 -16.092  -2.605
  676    HG   LEU  88           HG       LEU  88   9.418 -15.636   0.238
  677   HD11  LEU  88          1HD1      LEU  88   6.581 -15.754  -0.835
  678   HD12  LEU  88          2HD1      LEU  88   7.429 -14.310  -0.283
  679   HD13  LEU  88          3HD1      LEU  88   7.048 -15.588   0.862
  680   HD21  LEU  88          1HD2      LEU  88   8.297 -17.767   0.794
  681   HD22  LEU  88          2HD2      LEU  88   9.626 -18.000  -0.334
  682   HD23  LEU  88          3HD2      LEU  88   7.961 -18.038  -0.919
  683    H    GLU  89           H        GLU  89  11.583 -18.013  -3.950
  684    HA   GLU  89           HA       GLU  89  10.789 -16.825  -6.441
  685    HB2  GLU  89          2HB       GLU  89  12.802 -15.438  -5.794
  686    HB3  GLU  89          1HB       GLU  89  13.774 -16.906  -5.768
  687    HG2  GLU  89          2HG       GLU  89  14.124 -15.672  -7.855
  688    HG3  GLU  89          1HG       GLU  89  13.357 -17.228  -8.179
  689   H282  PNS 101          3H28      PNS 136   0.212  -9.280  -3.557
  690   H281  PNS 101          2H28      PNS 136   0.576  -9.247  -5.273
  691   H303  PNS 101          3H51      PNS 136   2.503  -7.743  -4.829
  692   H302  PNS 101          2H51      PNS 136   2.131  -7.780  -3.110
  693   H301  PNS 101          1H51      PNS 136   3.755  -8.215  -3.660
  694   H313  PNS 101          3H52      PNS 136   2.801  -9.818  -6.118
  695   H312  PNS 101          2H52      PNS 136   2.662 -11.396  -5.345
  696   H311  PNS 101          1H52      PNS 136   4.064 -10.368  -5.017
  697    H32  PNS 101           H32      PNS 136   3.593 -10.164  -2.385
  698    H33  PNS 101           H33      PNS 136   0.816 -10.381  -1.870
  699    H36  PNS 101           H36      PNS 136   4.393 -12.032  -3.297
  700   H372  PNS 101          3H37      PNS 136   3.819 -14.459  -2.189
  701   H371  PNS 101          2H37      PNS 136   3.000 -14.473  -3.754
  702   H382  PNS 101          3H38      PNS 136   5.961 -13.986  -3.294
  703   H381  PNS 101          2H38      PNS 136   5.245 -15.477  -3.895
  704    H41  PNS 101           H41      PNS 136   6.732 -12.623  -4.828
  705   H422  PNS 101          3H42      PNS 136   5.517 -12.265  -7.438
  706   H421  PNS 101          2H42      PNS 136   7.109 -13.030  -7.441
  707   H431  PNS 101          2H43      PNS 136   8.031 -11.069  -6.229
  708   H432  PNS 101          3H43      PNS 136   7.313 -10.605  -7.782
  709    H44  PNS 101           H44      PNS 136   4.939  -9.689  -6.664
  Start of MODEL   16
    1    H1   MET   1          1H        MET   1   0.432  13.558   3.955
    2    H2   MET   1          2H        MET   1   1.353  13.321   5.347
    3    H3   MET   1          3H        MET   1   1.467  12.226   4.064
    4    HA   MET   1           HA       MET   1   2.257  15.073   3.993
    5    HB2  MET   1          2HB       MET   1   3.794  13.770   5.394
    6    HB3  MET   1          1HB       MET   1   3.957  12.547   4.142
    7    HG2  MET   1          2HG       MET   1   5.932  14.037   4.271
    8    HG3  MET   1          1HG       MET   1   5.138  14.114   2.699
    9    HE1  MET   1          1HE       MET   1   5.688  15.954   6.144
   10    HE2  MET   1          2HE       MET   1   3.926  15.898   6.063
   11    HE3  MET   1          3HE       MET   1   4.769  17.437   5.902
   12    H    LEU   2           H        LEU   2   2.289  11.927   2.322
   13    HA   LEU   2           HA       LEU   2   2.258  13.220  -0.315
   14    HB2  LEU   2          2HB       LEU   2   4.163  12.002  -1.153
   15    HB3  LEU   2          1HB       LEU   2   4.668  12.866   0.283
   16    HG   LEU   2           HG       LEU   2   4.085   9.871   0.175
   17   HD11  LEU   2          1HD1      LEU   2   6.499   9.535   0.347
   18   HD12  LEU   2          2HD1      LEU   2   6.764  11.278   0.237
   19   HD13  LEU   2          3HD1      LEU   2   6.062  10.400  -1.124
   20   HD21  LEU   2          1HD2      LEU   2   3.682  10.771   2.424
   21   HD22  LEU   2          2HD2      LEU   2   5.298  11.482   2.450
   22   HD23  LEU   2          3HD2      LEU   2   5.102   9.727   2.403
   23    H    GLU   3           H        GLU   3   0.205  11.982   1.081
   24    HA   GLU   3           HA       GLU   3  -0.058   9.199   0.512
   25    HB2  GLU   3          2HB       GLU   3  -2.401  11.046   1.079
   26    HB3  GLU   3          1HB       GLU   3  -2.266   9.325   1.413
   27    HG2  GLU   3          2HG       GLU   3  -1.026  11.634   2.893
   28    HG3  GLU   3          1HG       GLU   3  -2.068  10.368   3.523
   29    H    SER   4           H        SER   4  -1.147  12.157  -1.071
   30    HA   SER   4           HA       SER   4  -2.728  11.108  -3.119
   31    HB2  SER   4          2HB       SER   4  -0.934  13.574  -3.224
   32    HB3  SER   4          1HB       SER   4  -2.335  13.254  -4.255
   33    HG   SER   4           HG       SER   4  -3.514  13.108  -2.157
   34    H    LYS   5           H        LYS   5   0.738  11.072  -2.715
   35    HA   LYS   5           HA       LYS   5   1.484  10.638  -5.458
   36    HB2  LYS   5          2HB       LYS   5   3.042  11.667  -3.884
   37    HB3  LYS   5          1HB       LYS   5   3.000  10.246  -2.848
   38    HG2  LYS   5          2HG       LYS   5   4.084   8.915  -4.662
   39    HG3  LYS   5          1HG       LYS   5   4.164  10.369  -5.658
   40    HD2  LYS   5          2HD       LYS   5   5.583   9.901  -3.008
   41    HD3  LYS   5          1HD       LYS   5   6.327   9.967  -4.606
   42    HE2  LYS   5          2HE       LYS   5   4.968  12.274  -3.173
   43    HE3  LYS   5          1HE       LYS   5   6.701  12.059  -3.401
   44    HZ1  LYS   5          1HZ       LYS   5   6.399  12.272  -5.771
   45    HZ2  LYS   5          2HZ       LYS   5   5.746  13.618  -4.984
   46    HZ3  LYS   5          3HZ       LYS   5   4.722  12.413  -5.584
   47    H    LEU   6           H        LEU   6   1.275   8.503  -2.548
   48    HA   LEU   6           HA       LEU   6   2.093   6.135  -3.883
   49    HB2  LEU   6          2HB       LEU   6   1.369   4.916  -1.850
   50    HB3  LEU   6          1HB       LEU   6   2.368   6.304  -1.492
   51    HG   LEU   6           HG       LEU   6  -0.033   7.470  -1.107
   52   HD11  LEU   6          1HD1      LEU   6  -1.635   5.991   0.013
   53   HD12  LEU   6          2HD1      LEU   6  -0.651   4.588  -0.408
   54   HD13  LEU   6          3HD1      LEU   6  -1.407   5.552  -1.678
   55   HD21  LEU   6          1HD2      LEU   6   1.796   7.390   0.532
   56   HD22  LEU   6          2HD2      LEU   6   1.293   5.772   1.029
   57   HD23  LEU   6          3HD2      LEU   6   0.221   7.157   1.287
   58    H    ILE   7           H        ILE   7  -1.027   7.659  -3.430
   59    HA   ILE   7           HA       ILE   7  -2.639   5.570  -4.548
   60    HB   ILE   7           HB       ILE   7  -3.118   8.578  -4.402
   61   HG12  ILE   7          2HG1      ILE   7  -4.328   6.441  -2.595
   62   HG13  ILE   7          1HG1      ILE   7  -2.823   7.264  -2.198
   63   HG21  ILE   7          1HG2      ILE   7  -5.134   6.377  -5.001
   64   HG22  ILE   7          2HG2      ILE   7  -4.539   7.577  -6.151
   65   HG23  ILE   7          3HG2      ILE   7  -5.516   8.086  -4.771
   66   HD11  ILE   7          1HD1      ILE   7  -5.510   8.579  -2.569
   67   HD12  ILE   7          2HD1      ILE   7  -3.998   9.407  -2.183
   68   HD13  ILE   7          3HD1      ILE   7  -4.692   8.258  -1.040
   69    H    ASN   8           H        ASN   8  -1.370   8.659  -5.905
   70    HA   ASN   8           HA       ASN   8  -2.463   8.479  -8.458
   71    HB2  ASN   8          2HB       ASN   8  -1.503  10.557  -7.463
   72    HB3  ASN   8          1HB       ASN   8   0.116   9.904  -7.663
   73   HD21  ASN   8          1HD2      ASN   8   1.049   9.892  -9.737
   74   HD22  ASN   8          2HD2      ASN   8   0.359  10.737 -11.074
   75    H    HIS   9           H        HIS   9   0.429   7.034  -7.175
   76    HA   HIS   9           HA       HIS   9   1.936   6.495  -9.440
   77    HB2  HIS   9          2HB       HIS   9   2.678   6.155  -7.068
   78    HB3  HIS   9          1HB       HIS   9   1.658   4.727  -6.968
   79    HD1  HIS   9           HD1      HIS   9   5.056   5.609  -7.483
   80    HD2  HIS   9           HD2      HIS   9   2.529   2.764  -9.173
   81    HE1  HIS   9           HE1      HIS   9   6.573   3.881  -8.485
   82    HE2  HIS   9           HE2      HIS   9   5.018   2.060  -9.247
   83    H    ILE  10           H        ILE  10  -0.235   4.121  -7.806
   84    HA   ILE  10           HA       ILE  10  -0.319   2.479 -10.203
   85    HB   ILE  10           HB       ILE  10  -1.927   1.037  -8.769
   86   HG12  ILE  10          2HG1      ILE  10  -1.487   1.308  -6.241
   87   HG13  ILE  10          1HG1      ILE  10  -0.902   2.918  -6.591
   88   HG21  ILE  10          1HG2      ILE  10   0.359   0.374  -9.275
   89   HG22  ILE  10          2HG2      ILE  10  -0.046  -0.083  -7.622
   90   HG23  ILE  10          3HG2      ILE  10   0.975   1.328  -7.922
   91   HD11  ILE  10          1HD1      ILE  10  -3.159   2.952  -5.757
   92   HD12  ILE  10          2HD1      ILE  10  -3.693   1.885  -7.057
   93   HD13  ILE  10          3HD1      ILE  10  -3.117   3.512  -7.427
   94    H    ALA  11           H        ALA  11  -2.359   4.877  -8.698
   95    HA   ALA  11           HA       ALA  11  -4.834   4.478  -9.867
   96    HB1  ALA  11          1HB       ALA  11  -5.171   6.899  -9.688
   97    HB2  ALA  11          2HB       ALA  11  -3.435   7.152  -9.489
   98    HB3  ALA  11          3HB       ALA  11  -4.351   6.292  -8.250
   99    H    THR  12           H        THR  12  -1.791   5.380 -11.372
  100    HA   THR  12           HA       THR  12  -2.674   6.525 -13.789
  101    HB   THR  12           HB       THR  12  -0.188   4.786 -13.454
  102    HG1  THR  12           HG1      THR  12  -0.853   7.237 -12.366
  103   HG21  THR  12          1HG2      THR  12   0.771   6.274 -15.196
  104   HG22  THR  12          2HG2      THR  12  -0.764   7.134 -15.320
  105   HG23  THR  12          3HG2      THR  12  -0.660   5.438 -15.804
  106    H    GLN  13           H        GLN  13  -2.095   3.144 -12.875
  107    HA   GLN  13           HA       GLN  13  -2.900   2.129 -15.520
  108    HB2  GLN  13          2HB       GLN  13  -1.973  -0.021 -14.764
  109    HB3  GLN  13          1HB       GLN  13  -0.798   1.270 -14.530
  110    HG2  GLN  13          2HG       GLN  13  -1.321   1.345 -12.137
  111    HG3  GLN  13          1HG       GLN  13  -2.542   0.099 -12.347
  112   HE21  GLN  13          1HE2      GLN  13   0.856   0.758 -12.102
  113   HE22  GLN  13          2HE2      GLN  13   1.369  -0.888 -11.995
  114    H    PHE  14           H        PHE  14  -4.077   2.424 -12.281
  115    HA   PHE  14           HA       PHE  14  -6.072   0.288 -12.542
  116    HB2  PHE  14          2HB       PHE  14  -4.766   1.720 -10.226
  117    HB3  PHE  14          1HB       PHE  14  -6.445   1.243  -9.974
  118    HD1  PHE  14           HD1      PHE  14  -5.657  -0.245  -8.105
  119    HD2  PHE  14           HD2      PHE  14  -4.348  -0.876 -12.148
  120    HE1  PHE  14           HE1      PHE  14  -4.934  -2.531  -7.551
  121    HE2  PHE  14           HE2      PHE  14  -3.634  -3.141 -11.556
  122    HZ   PHE  14           HZ       PHE  14  -3.926  -3.971  -9.263
  123    H    LEU  15           H        LEU  15  -5.864   3.792 -12.484
  124    HA   LEU  15           HA       LEU  15  -8.824   4.030 -12.703
  125    HB2  LEU  15          2HB       LEU  15  -7.032   5.999 -11.232
  126    HB3  LEU  15          1HB       LEU  15  -8.785   6.009 -11.297
  127    HG   LEU  15           HG       LEU  15  -7.080   3.943  -9.845
  128   HD11  LEU  15          1HD1      LEU  15  -6.990   6.186  -8.831
  129   HD12  LEU  15          2HD1      LEU  15  -7.761   4.991  -7.807
  130   HD13  LEU  15          3HD1      LEU  15  -8.752   6.179  -8.656
  131   HD21  LEU  15          1HD2      LEU  15  -9.200   3.157  -8.833
  132   HD22  LEU  15          2HD2      LEU  15  -9.204   2.949 -10.582
  133   HD23  LEU  15          3HD2      LEU  15 -10.114   4.275  -9.854
  134    H    ASP  16           H        ASP  16  -6.247   4.242 -14.548
  135    HA   ASP  16           HA       ASP  16  -5.749   5.212 -16.540
  136    HB2  ASP  16          2HB       ASP  16  -8.324   5.299 -16.777
  137    HB3  ASP  16          1HB       ASP  16  -8.229   6.968 -16.281
  138    H    GLY  17           H        GLY  17  -5.155   6.522 -13.825
  139    HA2  GLY  17          2HA       GLY  17  -3.475   8.167 -13.462
  140    HA3  GLY  17          1HA       GLY  17  -4.044   9.052 -14.866
  141    H    GLU  18           H        GLU  18  -6.756   8.139 -13.193
  142    HA   GLU  18           HA       GLU  18  -7.025  10.823 -12.043
  143    HB2  GLU  18          2HB       GLU  18  -9.275  10.693 -12.542
  144    HB3  GLU  18          1HB       GLU  18  -8.740   9.456 -13.680
  145    HG2  GLU  18          2HG       GLU  18  -9.395   7.697 -12.104
  146    HG3  GLU  18          1HG       GLU  18  -9.873   8.905 -10.911
  147    H    LYS  19           H        LYS  19  -7.494  11.185  -9.861
  148    HA   LYS  19           HA       LYS  19  -7.407   8.844  -8.032
  149    HB2  LYS  19          2HB       LYS  19  -6.974  11.775  -7.364
  150    HB3  LYS  19          1HB       LYS  19  -6.876  10.419  -6.239
  151    HG2  LYS  19          2HG       LYS  19  -5.028   9.483  -7.751
  152    HG3  LYS  19          1HG       LYS  19  -5.012  11.058  -8.534
  153    HD2  LYS  19          2HD       LYS  19  -4.570  10.585  -5.579
  154    HD3  LYS  19          1HD       LYS  19  -3.284  10.839  -6.760
  155    HE2  LYS  19          2HE       LYS  19  -5.417  12.842  -5.931
  156    HE3  LYS  19          1HE       LYS  19  -3.690  12.935  -5.601
  157    HZ1  LYS  19          1HZ       LYS  19  -4.981  13.125  -8.275
  158    HZ2  LYS  19          2HZ       LYS  19  -3.311  13.109  -8.010
  159    HZ3  LYS  19          3HZ       LYS  19  -4.243  14.387  -7.416
  160    H    ASP  20           H        ASP  20  -9.394   8.170  -7.891
  161    HA   ASP  20           HA       ASP  20 -11.424   9.650  -6.550
  162    HB2  ASP  20          2HB       ASP  20 -11.913  10.598  -8.729
  163    HB3  ASP  20          1HB       ASP  20 -11.809   9.023  -9.510
  164    H    GLY  21           H        GLY  21 -12.490   8.225  -5.334
  165    HA2  GLY  21          2HA       GLY  21 -13.625   6.297  -4.730
  166    HA3  GLY  21          1HA       GLY  21 -13.130   5.530  -6.232
  167    H    LEU  22           H        LEU  22 -10.276   6.465  -5.520
  168    HA   LEU  22           HA       LEU  22  -9.573   4.286  -3.652
  169    HB2  LEU  22          2HB       LEU  22  -9.021   3.803  -6.073
  170    HB3  LEU  22          1HB       LEU  22  -8.046   5.245  -6.103
  171    HG   LEU  22           HG       LEU  22  -6.420   4.292  -4.565
  172   HD11  LEU  22          1HD1      LEU  22  -8.209   1.857  -4.355
  173   HD12  LEU  22          2HD1      LEU  22  -7.878   3.034  -3.084
  174   HD13  LEU  22          3HD1      LEU  22  -6.581   2.007  -3.685
  175   HD21  LEU  22          1HD2      LEU  22  -5.575   2.422  -5.926
  176   HD22  LEU  22          2HD2      LEU  22  -6.120   3.769  -6.922
  177   HD23  LEU  22          3HD2      LEU  22  -7.127   2.327  -6.765
  178    H    ASP  23           H        ASP  23  -9.125   5.428  -1.878
  179    HA   ASP  23           HA       ASP  23  -6.872   7.337  -1.968
  180    HB2  ASP  23          2HB       ASP  23  -9.149   7.206   0.071
  181    HB3  ASP  23          1HB       ASP  23  -7.683   8.151   0.299
  182    H    SER  24           H        SER  24  -5.622   7.300   0.069
  183    HA   SER  24           HA       SER  24  -4.773   4.763   0.981
  184    HB2  SER  24          2HB       SER  24  -3.594   6.192   2.727
  185    HB3  SER  24          1HB       SER  24  -3.281   6.682   1.066
  186    HG   SER  24           HG       SER  24  -3.794   8.413   2.560
  187    H    GLN  25           H        GLN  25  -7.004   7.225   2.211
  188    HA   GLN  25           HA       GLN  25  -7.654   5.983   4.713
  189    HB2  GLN  25          2HB       GLN  25  -9.153   8.134   3.150
  190    HB3  GLN  25          1HB       GLN  25  -9.396   7.743   4.853
  191    HG2  GLN  25          2HG       GLN  25  -7.207   8.570   5.436
  192    HG3  GLN  25          1HG       GLN  25  -6.767   8.768   3.738
  193   HE21  GLN  25          1HE2      GLN  25  -6.840  10.765   5.906
  194   HE22  GLN  25          2HE2      GLN  25  -7.883  12.018   5.349
  195    H    THR  26           H        THR  26  -8.741   5.509   1.488
  196    HA   THR  26           HA       THR  26 -11.408   4.658   1.912
  197    HB   THR  26           HB       THR  26  -9.460   4.148  -0.374
  198    HG1  THR  26           HG1      THR  26 -11.712   5.878  -0.324
  199   HG21  THR  26          1HG2      THR  26 -11.467   3.607  -1.748
  200   HG22  THR  26          2HG2      THR  26 -12.449   3.615  -0.275
  201   HG23  THR  26          3HG2      THR  26 -11.175   2.412  -0.484
  202    HA   PRO  27           HA       PRO  27 -10.581   0.390   3.303
  203    HB2  PRO  27          2HB       PRO  27 -13.073  -0.648   2.914
  204    HB3  PRO  27          1HB       PRO  27 -12.717   0.439   4.287
  205    HG2  PRO  27          2HG       PRO  27 -14.015   1.092   1.648
  206    HG3  PRO  27          1HG       PRO  27 -14.490   1.611   3.278
  207    HD2  PRO  27          2HD       PRO  27 -13.072   3.217   1.611
  208    HD3  PRO  27          1HD       PRO  27 -12.852   3.274   3.369
  209    H    LEU  28           H        LEU  28  -9.232  -0.451   1.755
  210    HA   LEU  28           HA       LEU  28  -9.755  -0.471  -1.010
  211    HB2  LEU  28          2HB       LEU  28  -7.754  -2.181   0.505
  212    HB3  LEU  28          1HB       LEU  28  -7.718  -1.835  -1.220
  213    HG   LEU  28           HG       LEU  28  -7.183   0.090   1.073
  214   HD11  LEU  28          1HD1      LEU  28  -5.428  -0.719  -1.254
  215   HD12  LEU  28          2HD1      LEU  28  -5.292  -1.302   0.404
  216   HD13  LEU  28          3HD1      LEU  28  -5.006   0.398   0.049
  217   HD21  LEU  28          1HD2      LEU  28  -7.535   0.812  -1.847
  218   HD22  LEU  28          2HD2      LEU  28  -6.897   1.886  -0.599
  219   HD23  LEU  28          3HD2      LEU  28  -8.559   1.313  -0.498
  220    H    PHE  29           H        PHE  29  -9.972  -3.161   1.385
  221    HA   PHE  29           HA       PHE  29 -10.862  -4.996  -0.696
  222    HB2  PHE  29          2HB       PHE  29  -9.888  -5.319   2.135
  223    HB3  PHE  29          1HB       PHE  29 -10.958  -6.574   1.508
  224    HD1  PHE  29           HD1      PHE  29  -7.723  -4.844   0.959
  225    HD2  PHE  29           HD2      PHE  29 -10.236  -8.128  -0.172
  226    HE1  PHE  29           HE1      PHE  29  -5.894  -5.811  -0.350
  227    HE2  PHE  29           HE2      PHE  29  -8.396  -9.088  -1.476
  228    HZ   PHE  29           HZ       PHE  29  -6.238  -7.931  -1.578
  229    H    GLU  30           H        GLU  30 -12.441  -3.139   1.822
  230    HA   GLU  30           HA       GLU  30 -14.944  -4.417   1.903
  231    HB2  GLU  30          2HB       GLU  30 -14.395  -2.465   3.311
  232    HB3  GLU  30          1HB       GLU  30 -14.285  -1.446   1.885
  233    HG2  GLU  30          2HG       GLU  30 -16.362  -0.916   2.909
  234    HG3  GLU  30          1HG       GLU  30 -16.756  -1.892   1.495
  235    H    LEU  31           H        LEU  31 -13.535  -2.175  -0.401
  236    HA   LEU  31           HA       LEU  31 -15.854  -2.262  -2.199
  237    HB2  LEU  31          2HB       LEU  31 -13.294  -0.624  -2.403
  238    HB3  LEU  31          1HB       LEU  31 -14.775  -0.381  -3.321
  239    HG   LEU  31           HG       LEU  31 -14.348   0.127  -0.348
  240   HD11  LEU  31          1HD1      LEU  31 -13.401   1.837  -1.789
  241   HD12  LEU  31          2HD1      LEU  31 -14.775   2.458  -0.879
  242   HD13  LEU  31          3HD1      LEU  31 -14.959   2.065  -2.591
  243   HD21  LEU  31          1HD2      LEU  31 -16.948   0.386  -1.906
  244   HD22  LEU  31          2HD2      LEU  31 -16.672   0.953  -0.255
  245   HD23  LEU  31          3HD2      LEU  31 -16.594  -0.767  -0.615
  246    H    ASN  32           H        ASN  32 -12.702  -3.571  -1.783
  247    HA   ASN  32           HA       ASN  32 -11.312  -4.923  -2.933
  248    HB2  ASN  32          2HB       ASN  32 -13.936  -5.668  -4.231
  249    HB3  ASN  32          1HB       ASN  32 -12.448  -6.378  -4.841
  250   HD21  ASN  32          1HD2      ASN  32 -11.111  -6.611  -2.263
  251   HD22  ASN  32          2HD2      ASN  32 -11.936  -7.853  -1.398
  252    H    ILE  33           H        ILE  33 -10.804  -2.463  -3.558
  253    HA   ILE  33           HA       ILE  33 -11.010  -1.871  -6.386
  254    HB   ILE  33           HB       ILE  33  -9.289  -0.427  -4.322
  255   HG12  ILE  33          2HG1      ILE  33 -12.159   0.266  -5.113
  256   HG13  ILE  33          1HG1      ILE  33 -11.737  -0.599  -3.638
  257   HG21  ILE  33          1HG2      ILE  33  -8.737   0.133  -6.666
  258   HG22  ILE  33          2HG2      ILE  33  -9.495   1.507  -5.863
  259   HG23  ILE  33          3HG2      ILE  33 -10.431   0.521  -6.987
  260   HD11  ILE  33          1HD1      ILE  33 -10.866   2.196  -4.349
  261   HD12  ILE  33          2HD1      ILE  33 -10.458   1.323  -2.869
  262   HD13  ILE  33          3HD1      ILE  33 -12.135   1.744  -3.211
  263    H    VAL  34           H        VAL  34  -8.303  -2.666  -4.159
  264    HA   VAL  34           HA       VAL  34  -6.400  -2.585  -6.402
  265    HB   VAL  34           HB       VAL  34  -5.920  -1.293  -4.303
  266   HG11  VAL  34          1HG1      VAL  34  -5.508  -3.994  -2.976
  267   HG12  VAL  34          2HG1      VAL  34  -6.810  -2.852  -2.624
  268   HG13  VAL  34          3HG1      VAL  34  -5.136  -2.421  -2.263
  269   HG21  VAL  34          1HG2      VAL  34  -3.524  -1.866  -4.133
  270   HG22  VAL  34          2HG2      VAL  34  -4.066  -1.885  -5.811
  271   HG23  VAL  34          3HG2      VAL  34  -3.823  -3.404  -4.949
  272    H    ASP  35           H        ASP  35  -5.125  -4.332  -7.037
  273    HA   ASP  35           HA       ASP  35  -5.936  -7.016  -6.145
  274    HB2  ASP  35          2HB       ASP  35  -5.764  -6.467  -8.604
  275    HB3  ASP  35          1HB       ASP  35  -4.041  -6.251  -8.419
  276    H    SER  36           H        SER  36  -4.178  -8.633  -5.940
  277    HA   SER  36           HA       SER  36  -2.563  -7.890  -3.701
  278    HB2  SER  36          2HB       SER  36  -2.155 -10.191  -3.435
  279    HB3  SER  36          1HB       SER  36  -3.758 -10.146  -4.167
  280    H    ALA  37           H        ALA  37  -1.982  -8.192  -7.105
  281    HA   ALA  37           HA       ALA  37   0.889  -8.376  -7.063
  282    HB1  ALA  37          1HB       ALA  37   0.763  -7.952  -9.484
  283    HB2  ALA  37          2HB       ALA  37  -0.950  -7.542  -9.344
  284    HB3  ALA  37          3HB       ALA  37  -0.402  -9.183  -8.996
  285    H    ALA  38           H        ALA  38  -1.471  -5.721  -7.231
  286    HA   ALA  38           HA       ALA  38   0.408  -3.622  -7.781
  287    HB1  ALA  38          1HB       ALA  38  -1.961  -3.344  -8.339
  288    HB2  ALA  38          2HB       ALA  38  -1.450  -2.093  -7.207
  289    HB3  ALA  38          3HB       ALA  38  -2.396  -3.469  -6.635
  290    H    ILE  39           H        ILE  39  -0.779  -5.259  -4.932
  291    HA   ILE  39           HA       ILE  39  -0.138  -3.560  -2.837
  292    HB   ILE  39           HB       ILE  39   0.045  -6.597  -3.016
  293   HG12  ILE  39          2HG1      ILE  39  -2.208  -5.596  -3.325
  294   HG13  ILE  39          1HG1      ILE  39  -2.127  -6.577  -1.871
  295   HG21  ILE  39          1HG2      ILE  39   0.056  -6.687  -0.518
  296   HG22  ILE  39          2HG2      ILE  39   0.277  -4.937  -0.477
  297   HG23  ILE  39          3HG2      ILE  39   1.530  -5.967  -1.177
  298   HD11  ILE  39          1HD1      ILE  39  -1.988  -4.592  -0.507
  299   HD12  ILE  39          2HD1      ILE  39  -3.404  -4.544  -1.557
  300   HD13  ILE  39          3HD1      ILE  39  -1.987  -3.569  -1.952
  301    H    PHE  40           H        PHE  40   1.982  -5.868  -4.564
  302    HA   PHE  40           HA       PHE  40   4.322  -5.691  -3.082
  303    HB2  PHE  40          2HB       PHE  40   3.909  -7.346  -4.886
  304    HB3  PHE  40          1HB       PHE  40   4.014  -6.075  -6.096
  305    HD1  PHE  40           HD1      PHE  40   5.980  -7.964  -3.548
  306    HD2  PHE  40           HD2      PHE  40   6.167  -5.406  -6.979
  307    HE1  PHE  40           HE1      PHE  40   8.405  -8.364  -3.729
  308    HE2  PHE  40           HE2      PHE  40   8.589  -5.815  -7.144
  309    HZ   PHE  40           HZ       PHE  40   9.706  -7.295  -5.526
  310    H    ASP  41           H        ASP  41   3.034  -3.420  -5.435
  311    HA   ASP  41           HA       ASP  41   5.438  -1.838  -5.736
  312    HB2  ASP  41          2HB       ASP  41   3.766  -1.966  -7.536
  313    HB3  ASP  41          1HB       ASP  41   2.540  -1.265  -6.486
  314    H    LEU  42           H        LEU  42   2.313  -1.448  -4.014
  315    HA   LEU  42           HA       LEU  42   2.826   1.015  -2.714
  316    HB2  LEU  42          2HB       LEU  42   0.920  -1.271  -2.108
  317    HB3  LEU  42          1HB       LEU  42   1.048   0.093  -1.011
  318    HG   LEU  42           HG       LEU  42   0.335   1.634  -2.835
  319   HD11  LEU  42          1HD1      LEU  42   1.108   0.420  -4.784
  320   HD12  LEU  42          2HD1      LEU  42  -0.606   0.790  -4.924
  321   HD13  LEU  42          3HD1      LEU  42  -0.091  -0.845  -4.510
  322   HD21  LEU  42          1HD2      LEU  42  -1.624  -0.627  -2.313
  323   HD22  LEU  42          2HD2      LEU  42  -2.038   0.996  -2.874
  324   HD23  LEU  42          3HD2      LEU  42  -1.336   0.774  -1.275
  325    H    VAL  43           H        VAL  43   3.710  -2.269  -1.965
  326    HA   VAL  43           HA       VAL  43   4.641  -1.979   0.690
  327    HB   VAL  43           HB       VAL  43   5.674  -3.843  -1.522
  328   HG11  VAL  43          1HG1      VAL  43   7.339  -3.585   0.267
  329   HG12  VAL  43          2HG1      VAL  43   6.653  -5.205   0.286
  330   HG13  VAL  43          3HG1      VAL  43   6.126  -4.015   1.474
  331   HG21  VAL  43          1HG2      VAL  43   3.255  -4.170  -0.896
  332   HG22  VAL  43          2HG2      VAL  43   3.793  -4.598   0.719
  333   HG23  VAL  43          3HG2      VAL  43   4.278  -5.580  -0.656
  334    H    ASP  44           H        ASP  44   6.406  -2.049  -2.427
  335    HA   ASP  44           HA       ASP  44   8.950  -1.597  -1.423
  336    HB2  ASP  44          2HB       ASP  44   8.541  -2.347  -3.741
  337    HB3  ASP  44          1HB       ASP  44   7.788  -0.826  -4.144
  338    H    PHE  45           H        PHE  45   6.480   0.684  -2.465
  339    HA   PHE  45           HA       PHE  45   7.944   3.017  -2.505
  340    HB2  PHE  45          2HB       PHE  45   5.643   2.846  -3.386
  341    HB3  PHE  45          1HB       PHE  45   5.009   2.583  -1.765
  342    HD1  PHE  45           HD1      PHE  45   6.420   5.100  -4.088
  343    HD2  PHE  45           HD2      PHE  45   4.683   4.467  -0.217
  344    HE1  PHE  45           HE1      PHE  45   6.119   7.526  -3.803
  345    HE2  PHE  45           HE2      PHE  45   4.394   6.897   0.044
  346    HZ   PHE  45           HZ       PHE  45   5.111   8.419  -1.745
  347    H    LEU  46           H        LEU  46   6.151   1.518   0.192
  348    HA   LEU  46           HA       LEU  46   6.672   3.517   2.139
  349    HB2  LEU  46          2HB       LEU  46   5.877   0.604   2.453
  350    HB3  LEU  46          1HB       LEU  46   5.885   1.751   3.774
  351    HG   LEU  46           HG       LEU  46   4.079   1.811   1.328
  352   HD11  LEU  46          1HD1      LEU  46   3.360   1.356   4.239
  353   HD12  LEU  46          2HD1      LEU  46   3.418   0.129   2.973
  354   HD13  LEU  46          3HD1      LEU  46   2.237   1.429   2.875
  355   HD21  LEU  46          1HD2      LEU  46   4.199   3.827   3.600
  356   HD22  LEU  46          2HD2      LEU  46   2.975   3.781   2.327
  357   HD23  LEU  46          3HD2      LEU  46   4.655   4.111   1.917
  358    H    ARG  47           H        ARG  47   8.484   0.577   1.241
  359    HA   ARG  47           HA       ARG  47  10.351   0.861   3.490
  360    HB2  ARG  47          2HB       ARG  47  10.313  -1.152   1.180
  361    HB3  ARG  47          1HB       ARG  47  11.574  -1.124   2.416
  362    HG2  ARG  47          2HG       ARG  47  10.061  -2.827   3.072
  363    HG3  ARG  47          1HG       ARG  47   9.727  -1.468   4.145
  364    HD2  ARG  47          2HD       ARG  47   7.864  -0.867   2.451
  365    HD3  ARG  47          1HD       ARG  47   8.112  -2.485   1.816
  366    HE   ARG  47           HE       ARG  47   7.695  -2.988   4.430
  367   HH11  ARG  47          1HH1      ARG  47   5.894  -1.041   2.131
  368   HH12  ARG  47          2HH1      ARG  47   4.370  -1.313   2.909
  369   HH21  ARG  47          1HH2      ARG  47   5.616  -3.374   5.403
  370   HH22  ARG  47          2HH2      ARG  47   4.216  -2.616   4.737
  371    H    GLN  48           H        GLN  48  10.074   1.933   0.251
  372    HA   GLN  48           HA       GLN  48  12.824   2.546  -0.320
  373    HB2  GLN  48          2HB       GLN  48  11.051   2.235  -2.062
  374    HB3  GLN  48          1HB       GLN  48  10.232   3.679  -1.483
  375    HG2  GLN  48          2HG       GLN  48  12.230   5.021  -2.158
  376    HG3  GLN  48          1HG       GLN  48  12.956   3.553  -2.814
  377   HE21  GLN  48          1HE2      GLN  48  10.346   2.538  -3.862
  378   HE22  GLN  48          2HE2      GLN  48  10.013   3.514  -5.246
  379    H    GLU  49           H        GLU  49  10.017   4.224   1.022
  380    HA   GLU  49           HA       GLU  49  11.301   6.775   1.383
  381    HB2  GLU  49          2HB       GLU  49   8.642   5.656   2.385
  382    HB3  GLU  49          1HB       GLU  49   9.176   7.307   2.676
  383    HG2  GLU  49          2HG       GLU  49   8.655   6.075  -0.047
  384    HG3  GLU  49          1HG       GLU  49   7.583   7.186   0.804
  385    H    SER  50           H        SER  50  10.221   4.160   3.587
  386    HA   SER  50           HA       SER  50  11.257   5.481   5.946
  387    HB2  SER  50          2HB       SER  50   9.128   4.181   5.973
  388    HB3  SER  50          1HB       SER  50  10.033   2.696   5.674
  389    HG   SER  50           HG       SER  50   9.513   3.891   7.984
  390    H    LYS  51           H        LYS  51  12.690   3.535   3.594
  391    HA   LYS  51           HA       LYS  51  14.703   2.554   3.336
  392    HB2  LYS  51          2HB       LYS  51  15.506   3.972   5.918
  393    HB3  LYS  51          1HB       LYS  51  16.594   3.369   4.675
  394    HG2  LYS  51          2HG       LYS  51  14.605   5.636   4.344
  395    HG3  LYS  51          1HG       LYS  51  16.349   5.812   4.551
  396    HD2  LYS  51          2HD       LYS  51  16.773   4.749   2.409
  397    HD3  LYS  51          1HD       LYS  51  15.066   4.335   2.220
  398    HE2  LYS  51          2HE       LYS  51  15.589   6.245   0.824
  399    HE3  LYS  51          1HE       LYS  51  14.524   6.764   2.126
  400    HZ1  LYS  51          1HZ       LYS  51  16.558   7.517   3.305
  401    HZ2  LYS  51          2HZ       LYS  51  16.208   8.377   1.902
  402    HZ3  LYS  51          3HZ       LYS  51  17.443   7.221   1.896
  403    H    VAL  52           H        VAL  52  13.161   0.718   3.958
  404    HA   VAL  52           HA       VAL  52  14.406  -0.945   6.077
  405    HB   VAL  52           HB       VAL  52  11.476  -1.308   5.305
  406   HG11  VAL  52          1HG1      VAL  52  12.571  -3.138   6.544
  407   HG12  VAL  52          2HG1      VAL  52  11.293  -2.397   7.502
  408   HG13  VAL  52          3HG1      VAL  52  12.978  -2.027   7.858
  409   HG21  VAL  52          1HG2      VAL  52  11.608   1.039   6.025
  410   HG22  VAL  52          2HG2      VAL  52  12.371   0.553   7.541
  411   HG23  VAL  52          3HG2      VAL  52  10.711   0.063   7.188
  412    H    SER  53           H        SER  53  14.532  -3.198   5.534
  413    HA   SER  53           HA       SER  53  13.842  -3.965   2.764
  414    HB2  SER  53          2HB       SER  53  15.300  -5.996   3.285
  415    HB3  SER  53          1HB       SER  53  16.144  -4.453   3.227
  416    HG   SER  53           HG       SER  53  16.623  -4.634   5.260
  417    H    ILE  54           H        ILE  54  12.290  -5.495   2.409
  418    HA   ILE  54           HA       ILE  54  10.962  -6.779   4.724
  419    HB   ILE  54           HB       ILE  54   9.656  -4.777   3.956
  420   HG12  ILE  54          2HG1      ILE  54   8.280  -7.459   3.461
  421   HG13  ILE  54          1HG1      ILE  54   8.445  -6.647   5.010
  422   HG21  ILE  54          1HG2      ILE  54   8.526  -4.737   1.782
  423   HG22  ILE  54          2HG2      ILE  54   9.316  -6.244   1.314
  424   HG23  ILE  54          3HG2      ILE  54  10.279  -4.786   1.569
  425   HD11  ILE  54          1HD1      ILE  54   6.204  -6.432   4.146
  426   HD12  ILE  54          2HD1      ILE  54   6.803  -5.683   2.669
  427   HD13  ILE  54          3HD1      ILE  54   6.979  -4.850   4.217
  428    H    GLY  55           H        GLY  55  10.113  -8.834   4.317
  429    HA2  GLY  55          2HA       GLY  55  10.818 -10.141   1.751
  430    HA3  GLY  55          1HA       GLY  55  10.460 -10.956   3.268
  431    H    MET  56           H        MET  56   9.198 -11.845   1.031
  432    HA   MET  56           HA       MET  56   6.759 -10.583   0.334
  433    HB2  MET  56          2HB       MET  56   7.581 -13.491   0.005
  434    HB3  MET  56          1HB       MET  56   6.209 -12.732  -0.797
  435    HG2  MET  56          2HG       MET  56   9.137 -12.067  -1.210
  436    HG3  MET  56          1HG       MET  56   8.065 -12.889  -2.346
  437    HE1  MET  56          1HE       MET  56   5.331 -11.010  -2.025
  438    HE2  MET  56          2HE       MET  56   5.973 -11.670  -3.530
  439    HE3  MET  56          3HE       MET  56   5.640  -9.946  -3.404
  440    H    GLN  57           H        GLN  57   7.515 -12.200   3.202
  441    HA   GLN  57           HA       GLN  57   5.004 -13.500   3.726
  442    HB2  GLN  57          2HB       GLN  57   7.196 -14.234   4.707
  443    HB3  GLN  57          1HB       GLN  57   7.228 -12.766   5.676
  444    HG2  GLN  57          2HG       GLN  57   6.463 -14.682   7.008
  445    HG3  GLN  57          1HG       GLN  57   5.183 -13.480   6.849
  446   HE21  GLN  57          1HE2      GLN  57   3.508 -14.937   7.203
  447   HE22  GLN  57          2HE2      GLN  57   3.086 -16.193   6.098
  448    H    GLU  58           H        GLU  58   6.459 -10.364   4.563
  449    HA   GLU  58           HA       GLU  58   4.164  -9.588   6.221
  450    HB2  GLU  58          2HB       GLU  58   6.658  -8.004   5.466
  451    HB3  GLU  58          1HB       GLU  58   5.442  -7.504   6.639
  452    HG2  GLU  58          2HG       GLU  58   6.028  -9.381   8.087
  453    HG3  GLU  58          1HG       GLU  58   7.182  -9.970   6.896
  454    H    ILE  59           H        ILE  59   5.402  -9.178   2.986
  455    HA   ILE  59           HA       ILE  59   3.605  -7.178   2.044
  456    HB   ILE  59           HB       ILE  59   4.805  -9.559   0.546
  457   HG12  ILE  59          2HG1      ILE  59   5.747  -6.682   0.846
  458   HG13  ILE  59          1HG1      ILE  59   6.557  -8.130   1.424
  459   HG21  ILE  59          1HG2      ILE  59   4.301  -8.327  -1.557
  460   HG22  ILE  59          2HG2      ILE  59   3.443  -7.100  -0.623
  461   HG23  ILE  59          3HG2      ILE  59   2.837  -8.753  -0.669
  462   HD11  ILE  59          1HD1      ILE  59   6.187  -7.321  -1.455
  463   HD12  ILE  59          2HD1      ILE  59   6.975  -8.800  -0.892
  464   HD13  ILE  59          3HD1      ILE  59   7.672  -7.229  -0.505
  465    H    HIS  60           H        HIS  60   1.548  -7.506   2.835
  466    HA   HIS  60           HA       HIS  60   0.051  -9.699   1.628
  467    HB2  HIS  60          2HB       HIS  60   0.369  -9.309   4.570
  468    HB3  HIS  60          1HB       HIS  60  -1.282  -9.586   4.026
  469    HD1  HIS  60           HD1      HIS  60   2.123 -11.268   3.884
  470    HD2  HIS  60           HD2      HIS  60  -1.918 -12.141   3.443
  471    HE1  HIS  60           HE1      HIS  60   2.001 -13.765   3.682
  472    HE2  HIS  60           HE2      HIS  60  -0.459 -14.282   3.583
  473    HA   PRO  61           HA       PRO  61  -2.762  -6.350   0.624
  474    HB2  PRO  61          2HB       PRO  61  -4.828  -8.013  -0.220
  475    HB3  PRO  61          1HB       PRO  61  -3.462  -7.540  -1.238
  476    HG2  PRO  61          2HG       PRO  61  -3.882 -10.073   0.299
  477    HG3  PRO  61          1HG       PRO  61  -3.227  -9.837  -1.339
  478    HD2  PRO  61          2HD       PRO  61  -1.604 -10.291   0.765
  479    HD3  PRO  61          1HD       PRO  61  -1.121  -9.199  -0.544
  480    H    ALA  62           H        ALA  62  -3.331  -9.049   2.782
  481    HA   ALA  62           HA       ALA  62  -5.645  -8.231   4.143
  482    HB1  ALA  62          1HB       ALA  62  -4.885  -9.740   5.952
  483    HB2  ALA  62          2HB       ALA  62  -3.289  -9.827   5.200
  484    HB3  ALA  62          3HB       ALA  62  -4.692 -10.488   4.364
  485    H    ASN  63           H        ASN  63  -2.235  -7.406   4.590
  486    HA   ASN  63           HA       ASN  63  -2.671  -5.764   6.967
  487    HB2  ASN  63          2HB       ASN  63  -0.126  -6.225   5.342
  488    HB3  ASN  63          1HB       ASN  63  -0.217  -5.426   6.909
  489   HD21  ASN  63          1HD2      ASN  63   1.382  -7.695   6.205
  490   HD22  ASN  63          2HD2      ASN  63   0.898  -8.993   7.238
  491    H    PHE  64           H        PHE  64  -2.275  -5.336   3.513
  492    HA   PHE  64           HA       PHE  64  -1.935  -2.423   3.741
  493    HB2  PHE  64          2HB       PHE  64  -1.744  -4.366   1.393
  494    HB3  PHE  64          1HB       PHE  64  -1.783  -2.621   1.154
  495    HD1  PHE  64           HD1      PHE  64   0.191  -5.402   2.605
  496    HD2  PHE  64           HD2      PHE  64   0.168  -1.262   1.577
  497    HE1  PHE  64           HE1      PHE  64   2.602  -5.319   2.958
  498    HE2  PHE  64           HE2      PHE  64   2.597  -1.183   1.944
  499    HZ   PHE  64           HZ       PHE  64   3.819  -3.213   2.617
  500    H    ALA  65           H        ALA  65  -4.500  -4.128   4.263
  501    HA   ALA  65           HA       ALA  65  -6.419  -3.633   2.256
  502    HB1  ALA  65          1HB       ALA  65  -8.070  -4.306   3.945
  503    HB2  ALA  65          2HB       ALA  65  -6.859  -4.137   5.220
  504    HB3  ALA  65          3HB       ALA  65  -6.664  -5.370   3.973
  505    H    THR  66           H        THR  66  -5.220  -1.559   4.776
  506    HA   THR  66           HA       THR  66  -6.684   0.740   3.713
  507    HB   THR  66           HB       THR  66  -7.143   1.579   6.119
  508    HG1  THR  66           HG1      THR  66  -7.334  -1.035   7.049
  509   HG21  THR  66          1HG2      THR  66  -9.287   0.405   6.392
  510   HG22  THR  66          2HG2      THR  66  -8.776  -0.834   5.246
  511   HG23  THR  66          3HG2      THR  66  -9.023   0.824   4.695
  512    H    VAL  67           H        VAL  67  -5.670   2.825   4.558
  513    HA   VAL  67           HA       VAL  67  -2.841   2.753   4.583
  514    HB   VAL  67           HB       VAL  67  -4.103   4.775   3.884
  515   HG11  VAL  67          1HG1      VAL  67  -4.966   6.416   5.506
  516   HG12  VAL  67          2HG1      VAL  67  -4.647   5.291   6.828
  517   HG13  VAL  67          3HG1      VAL  67  -5.846   4.888   5.598
  518   HG21  VAL  67          1HG2      VAL  67  -1.709   4.963   4.376
  519   HG22  VAL  67          2HG2      VAL  67  -2.059   5.329   6.066
  520   HG23  VAL  67          3HG2      VAL  67  -2.544   6.460   4.799
  521    H    GLN  68           H        GLN  68  -5.190   2.995   7.223
  522    HA   GLN  68           HA       GLN  68  -3.392   3.574   9.308
  523    HB2  GLN  68          2HB       GLN  68  -5.240   2.947  10.815
  524    HB3  GLN  68          1HB       GLN  68  -5.829   3.942   9.491
  525    HG2  GLN  68          2HG       GLN  68  -6.660   1.885   8.352
  526    HG3  GLN  68          1HG       GLN  68  -6.137   0.928   9.737
  527   HE21  GLN  68          1HE2      GLN  68  -7.268   1.185  11.726
  528   HE22  GLN  68          2HE2      GLN  68  -8.852   1.862  11.776
  529    H    SER  69           H        SER  69  -4.448   0.547   7.839
  530    HA   SER  69           HA       SER  69  -3.212  -1.183   9.772
  531    HB2  SER  69          2HB       SER  69  -5.214  -1.836   8.390
  532    HB3  SER  69          1HB       SER  69  -4.179  -1.868   6.963
  533    HG   SER  69           HG       SER  69  -3.595  -3.787   7.537
  534    H    MET  70           H        MET  70  -2.303   0.102   6.540
  535    HA   MET  70           HA       MET  70  -0.020  -1.627   6.238
  536    HB2  MET  70          2HB       MET  70   0.401  -0.586   4.151
  537    HB3  MET  70          1HB       MET  70  -1.347  -0.646   4.297
  538    HG2  MET  70          2HG       MET  70  -1.386   1.735   4.874
  539    HG3  MET  70          1HG       MET  70   0.372   1.803   4.772
  540    HE1  MET  70          1HE       MET  70  -2.081  -0.210   2.345
  541    HE2  MET  70          2HE       MET  70  -2.378   1.027   1.123
  542    HE3  MET  70          3HE       MET  70  -2.974   1.253   2.768
  543    H    VAL  71           H        VAL  71  -0.509   1.694   7.399
  544    HA   VAL  71           HA       VAL  71   2.257   2.403   7.614
  545    HB   VAL  71           HB       VAL  71  -0.189   3.537   9.070
  546   HG11  VAL  71          1HG1      VAL  71   2.669   4.625   9.115
  547   HG12  VAL  71          2HG1      VAL  71   1.799   3.938  10.486
  548   HG13  VAL  71          3HG1      VAL  71   1.250   5.451   9.771
  549   HG21  VAL  71          1HG2      VAL  71   1.452   4.648   6.759
  550   HG22  VAL  71          2HG2      VAL  71   0.085   5.456   7.528
  551   HG23  VAL  71          3HG2      VAL  71  -0.167   3.952   6.644
  552    H    ALA  72           H        ALA  72  -0.163   1.139   9.930
  553    HA   ALA  72           HA       ALA  72   1.482   1.013  12.189
  554    HB1  ALA  72          1HB       ALA  72  -0.191  -0.542  13.125
  555    HB2  ALA  72          2HB       ALA  72  -0.915  -0.722  11.524
  556    HB3  ALA  72          3HB       ALA  72  -0.959   0.841  12.339
  557    H    LEU  73           H        LEU  73   0.964  -1.271   9.532
  558    HA   LEU  73           HA       LEU  73   2.351  -3.523  10.487
  559    HB2  LEU  73          2HB       LEU  73   1.008  -3.959   8.616
  560    HB3  LEU  73          1HB       LEU  73   1.424  -2.442   7.837
  561    HG   LEU  73           HG       LEU  73   3.732  -3.455   7.399
  562   HD11  LEU  73          1HD1      LEU  73   2.321  -6.060   8.061
  563   HD12  LEU  73          2HD1      LEU  73   3.660  -5.328   8.952
  564   HD13  LEU  73          3HD1      LEU  73   3.913  -5.906   7.308
  565   HD21  LEU  73          1HD2      LEU  73   1.354  -4.659   5.981
  566   HD22  LEU  73          2HD2      LEU  73   2.997  -4.535   5.350
  567   HD23  LEU  73          3HD2      LEU  73   2.065  -3.075   5.676
  568    H    VAL  74           H        VAL  74   3.330  -0.689   8.523
  569    HA   VAL  74           HA       VAL  74   6.029  -1.352   8.157
  570    HB   VAL  74           HB       VAL  74   4.736   1.410   8.277
  571   HG11  VAL  74          1HG1      VAL  74   7.596   0.763   7.415
  572   HG12  VAL  74          2HG1      VAL  74   7.126   1.691   8.839
  573   HG13  VAL  74          3HG1      VAL  74   6.804   2.333   7.230
  574   HG21  VAL  74          1HG2      VAL  74   4.928   1.349   5.808
  575   HG22  VAL  74          2HG2      VAL  74   4.007  -0.034   6.400
  576   HG23  VAL  74          3HG2      VAL  74   5.681  -0.248   5.900
  577    H    GLN  75           H        GLN  75   4.423   0.405  10.804
  578    HA   GLN  75           HA       GLN  75   6.838   1.139  12.162
  579    HB2  GLN  75          2HB       GLN  75   4.026   0.955  13.323
  580    HB3  GLN  75          1HB       GLN  75   5.377   1.878  13.973
  581    HG2  GLN  75          2HG       GLN  75   3.831   2.415  11.434
  582    HG3  GLN  75          1HG       GLN  75   3.881   3.401  12.886
  583   HE21  GLN  75          1HE2      GLN  75   4.528   3.987  10.031
  584   HE22  GLN  75          2HE2      GLN  75   6.114   4.667  10.058
  585    H    ARG  76           H        ARG  76   4.912  -1.746  12.118
  586    HA   ARG  76           HA       ARG  76   6.077  -2.927  14.494
  587    HB2  ARG  76          2HB       ARG  76   4.264  -4.026  12.316
  588    HB3  ARG  76          1HB       ARG  76   4.873  -5.020  13.636
  589    HG2  ARG  76          2HG       ARG  76   3.128  -2.553  13.944
  590    HG3  ARG  76          1HG       ARG  76   2.598  -4.230  14.103
  591    HD2  ARG  76          2HD       ARG  76   4.604  -2.799  15.882
  592    HD3  ARG  76          1HD       ARG  76   2.953  -3.245  16.316
  593    HE   ARG  76           HE       ARG  76   4.030  -5.623  15.649
  594   HH11  ARG  76          1HH1      ARG  76   5.174  -3.149  17.877
  595   HH12  ARG  76          2HH1      ARG  76   5.984  -4.296  18.898
  596   HH21  ARG  76          1HH2      ARG  76   5.108  -7.078  16.974
  597   HH22  ARG  76          2HH2      ARG  76   5.946  -6.514  18.386
  598    H    LEU  77           H        LEU  77   6.586  -3.189  10.938
  599    HA   LEU  77           HA       LEU  77   8.653  -5.193  11.295
  600    HB2  LEU  77          2HB       LEU  77   9.010  -5.045   8.851
  601    HB3  LEU  77          1HB       LEU  77   7.361  -5.405   9.306
  602    HG   LEU  77           HG       LEU  77   6.805  -2.971   8.847
  603   HD11  LEU  77          1HD1      LEU  77   8.964  -1.883   8.905
  604   HD12  LEU  77          2HD1      LEU  77   8.250  -1.690   7.295
  605   HD13  LEU  77          3HD1      LEU  77   9.541  -2.869   7.544
  606   HD21  LEU  77          1HD2      LEU  77   6.628  -3.331   6.423
  607   HD22  LEU  77          2HD2      LEU  77   6.146  -4.730   7.373
  608   HD23  LEU  77          3HD2      LEU  77   7.714  -4.720   6.560
  609    H    LYS  78           H        LYS  78   8.570  -1.775  11.400
  610    HA   LYS  78           HA       LYS  78  11.250  -1.096  10.881
  611    HB2  LYS  78          2HB       LYS  78   9.247   0.008  12.872
  612    HB3  LYS  78          1HB       LYS  78  10.834   0.715  12.660
  613    HG2  LYS  78          2HG       LYS  78   8.631   0.576  10.596
  614    HG3  LYS  78          1HG       LYS  78   9.124   2.005  11.486
  615    HD2  LYS  78          2HD       LYS  78  10.898   0.493   9.539
  616    HD3  LYS  78          1HD       LYS  78   9.952   1.918   9.120
  617    HE2  LYS  78          2HE       LYS  78  11.238   3.221  10.832
  618    HE3  LYS  78          1HE       LYS  78  12.234   1.789  11.121
  619    HZ1  LYS  78          1HZ       LYS  78  13.273   3.327   9.581
  620    HZ2  LYS  78          2HZ       LYS  78  11.964   3.199   8.523
  621    HZ3  LYS  78          3HZ       LYS  78  12.940   1.852   8.827
  622    H    ALA  79           H        ALA  79   9.722  -2.849  13.460
  623    HA   ALA  79           HA       ALA  79  11.703  -2.577  15.472
  624    HB1  ALA  79          1HB       ALA  79   9.526  -4.678  15.160
  625    HB2  ALA  79          2HB       ALA  79   9.370  -3.139  16.009
  626    HB3  ALA  79          3HB       ALA  79  10.463  -4.377  16.626
  627    H    HIS  80           H        HIS  80  11.278  -4.930  12.763
  628    HA   HIS  80           HA       HIS  80  13.444  -6.588  13.737
  629    HB2  HIS  80          2HB       HIS  80  13.423  -7.806  11.602
  630    HB3  HIS  80          1HB       HIS  80  11.807  -7.692  12.274
  631    HD1  HIS  80           HD1      HIS  80  13.826  -5.695   9.682
  632    HD2  HIS  80           HD2      HIS  80  10.026  -7.225  10.326
  633    HE1  HIS  80           HE1      HIS  80  12.539  -5.216   7.584
  634    HE2  HIS  80           HE2      HIS  80  10.328  -6.380   7.919
  635    HA   PRO  81           HA       PRO  81  16.620  -3.597  12.767
  636    HB2  PRO  81          2HB       PRO  81  18.467  -5.993  12.744
  637    HB3  PRO  81          1HB       PRO  81  18.563  -4.498  13.703
  638    HG2  PRO  81          2HG       PRO  81  17.796  -6.749  14.870
  639    HG3  PRO  81          1HG       PRO  81  16.975  -5.218  15.258
  640    HD2  PRO  81          2HD       PRO  81  16.037  -7.441  13.435
  641    HD3  PRO  81          1HD       PRO  81  15.122  -6.515  14.647
  642    H    GLU  82           H        GLU  82  16.673  -6.652  10.954
  643    HA   GLU  82           HA       GLU  82  17.162  -5.316   8.415
  644    HB2  GLU  82          2HB       GLU  82  19.438  -5.538   9.424
  645    HB3  GLU  82          1HB       GLU  82  19.196  -7.272   9.589
  646    HG2  GLU  82          2HG       GLU  82  18.978  -7.386   7.064
  647    HG3  GLU  82          1HG       GLU  82  19.454  -5.687   7.013
  648    H    GLN  83           H        GLN  83  16.359  -6.504   6.756
  649    HA   GLN  83           HA       GLN  83  16.055  -9.432   6.961
  650    HB2  GLN  83          2HB       GLN  83  13.889  -7.421   6.363
  651    HB3  GLN  83          1HB       GLN  83  13.906  -8.864   5.357
  652    HG2  GLN  83          2HG       GLN  83  13.808 -10.250   7.433
  653    HG3  GLN  83          1HG       GLN  83  13.645  -8.763   8.373
  654   HE21  GLN  83          1HE2      GLN  83  11.616  -9.420   9.129
  655   HE22  GLN  83          2HE2      GLN  83  10.204  -9.389   8.134
  656    H    GLY  84           H        GLY  84  18.188  -8.089   5.937
  657    HA2  GLY  84          2HA       GLY  84  18.078  -7.685   3.087
  658    HA3  GLY  84          1HA       GLY  84  19.517  -7.745   4.100
  659    H    GLY  85           H        GLY  85  17.058  -9.753   2.547
  660    HA2  GLY  85          2HA       GLY  85  17.387 -11.746   1.355
  661    HA3  GLY  85          1HA       GLY  85  18.972 -11.939   2.099
  662    H    ALA  86           H        ALA  86  15.493 -11.856   2.953
  663    HA   ALA  86           HA       ALA  86  15.630 -13.516   5.276
  664    HB1  ALA  86          1HB       ALA  86  13.683 -12.050   4.825
  665    HB2  ALA  86          2HB       ALA  86  13.162 -13.725   5.013
  666    HB3  ALA  86          3HB       ALA  86  13.275 -13.010   3.403
  667    H    ALA  87           H        ALA  87  15.283 -14.099   1.862
  668    HA   ALA  87           HA       ALA  87  16.378 -16.808   2.239
  669    HB1  ALA  87          1HB       ALA  87  15.038 -17.604   0.297
  670    HB2  ALA  87          2HB       ALA  87  14.203 -16.049   0.238
  671    HB3  ALA  87          3HB       ALA  87  13.994 -17.109   1.632
  672    H    LEU  88           H        LEU  88  18.199 -17.100   0.866
  673    HA   LEU  88           HA       LEU  88  19.053 -14.840  -0.735
  674    HB2  LEU  88          2HB       LEU  88  20.542 -16.465   0.686
  675    HB3  LEU  88          1HB       LEU  88  20.429 -17.551  -0.684
  676    HG   LEU  88           HG       LEU  88  22.539 -16.225  -0.628
  677   HD11  LEU  88          1HD1      LEU  88  21.771 -17.068  -2.779
  678   HD12  LEU  88          2HD1      LEU  88  22.626 -15.539  -2.955
  679   HD13  LEU  88          3HD1      LEU  88  20.864 -15.579  -3.057
  680   HD21  LEU  88          1HD2      LEU  88  22.549 -13.825  -1.109
  681   HD22  LEU  88          2HD2      LEU  88  21.678 -14.172   0.382
  682   HD23  LEU  88          3HD2      LEU  88  20.782 -13.800  -1.092
  683    H    GLU  89           H        GLU  89  17.440 -14.688  -2.275
  684    HA   GLU  89           HA       GLU  89  17.357 -16.794  -4.357
  685    HB2  GLU  89          2HB       GLU  89  15.170 -15.275  -4.983
  686    HB3  GLU  89          1HB       GLU  89  15.111 -16.681  -3.939
  687    HG2  GLU  89          2HG       GLU  89  13.800 -14.959  -2.921
  688    HG3  GLU  89          1HG       GLU  89  15.255 -15.175  -1.956
  689   H282  PNS 101          3H28      PNS 136  -0.770 -12.390  -2.515
  690   H281  PNS 101          2H28      PNS 136  -0.405 -10.678  -2.671
  691   H303  PNS 101          3H51      PNS 136   0.923 -10.813  -0.561
  692   H302  PNS 101          2H51      PNS 136   0.566 -12.533  -0.442
  693   H301  PNS 101          1H51      PNS 136   2.248 -11.979  -0.414
  694   H313  PNS 101          3H52      PNS 136   3.269 -10.977  -2.513
  695   H312  PNS 101          2H52      PNS 136   1.927  -9.845  -2.593
  696   H311  PNS 101          1H52      PNS 136   2.319 -10.858  -3.997
  697    H32  PNS 101           H32      PNS 136   2.795 -13.503  -2.181
  698    H33  PNS 101           H33      PNS 136   0.251 -14.375  -3.022
  699    H36  PNS 101           H36      PNS 136   3.952 -12.777  -3.894
  700   H372  PNS 101          3H37      PNS 136   3.585 -13.936  -6.491
  701   H371  PNS 101          2H37      PNS 136   3.482 -12.172  -6.453
  702   H382  PNS 101          3H38      PNS 136   5.715 -12.211  -5.191
  703   H381  PNS 101          2H38      PNS 136   5.830 -13.910  -5.664
  704    H41  PNS 101           H41      PNS 136   5.281 -10.738  -6.744
  705   H422  PNS 101          3H42      PNS 136   5.678 -10.844  -9.504
  706   H421  PNS 101          2H42      PNS 136   7.170 -10.361  -8.689
  707   H431  PNS 101          2H43      PNS 136   5.871  -8.595  -7.459
  708   H432  PNS 101          3H43      PNS 136   5.816  -8.347  -9.224
  709    H44  PNS 101           H44      PNS 136   3.360  -9.813  -7.311
  Start of MODEL   17
    1    H1   MET   1          1H        MET   1   0.947  16.115   2.367
    2    H2   MET   1          2H        MET   1   1.912  14.766   2.656
    3    H3   MET   1          3H        MET   1   0.335  14.570   2.086
    4    HA   MET   1           HA       MET   1   0.884  15.626   0.035
    5    HB2  MET   1          2HB       MET   1   3.733  15.720   1.117
    6    HB3  MET   1          1HB       MET   1   3.238  16.190  -0.503
    7    HG2  MET   1          2HG       MET   1   1.913  18.042   0.443
    8    HG3  MET   1          1HG       MET   1   2.431  17.575   2.068
    9    HE1  MET   1          1HE       MET   1   2.841  20.547   0.953
   10    HE2  MET   1          2HE       MET   1   4.502  20.878   1.447
   11    HE3  MET   1          3HE       MET   1   3.405  20.044   2.548
   12    H    LEU   2           H        LEU   2   3.395  13.636   1.578
   13    HA   LEU   2           HA       LEU   2   4.165  12.092  -0.590
   14    HB2  LEU   2          2HB       LEU   2   5.443  12.367   1.503
   15    HB3  LEU   2          1HB       LEU   2   4.246  11.420   2.373
   16    HG   LEU   2           HG       LEU   2   4.875   9.466   0.790
   17   HD11  LEU   2          1HD1      LEU   2   6.040  10.746  -0.938
   18   HD12  LEU   2          2HD1      LEU   2   7.096   9.519  -0.243
   19   HD13  LEU   2          3HD1      LEU   2   7.291  11.211   0.220
   20   HD21  LEU   2          1HD2      LEU   2   5.494   9.531   3.157
   21   HD22  LEU   2          2HD2      LEU   2   6.959  10.435   2.767
   22   HD23  LEU   2          3HD2      LEU   2   6.756   8.786   2.181
   23    H    GLU   3           H        GLU   3   1.636  11.413   1.783
   24    HA   GLU   3           HA       GLU   3   1.358   8.648   1.154
   25    HB2  GLU   3          2HB       GLU   3   0.769   9.947   3.358
   26    HB3  GLU   3          1HB       GLU   3  -0.777  10.258   2.580
   27    HG2  GLU   3          2HG       GLU   3  -1.266   7.894   2.459
   28    HG3  GLU   3          1HG       GLU   3   0.360   7.481   2.997
   29    H    SER   4           H        SER   4   0.197  11.466  -0.389
   30    HA   SER   4           HA       SER   4  -2.072  10.245  -1.746
   31    HB2  SER   4          2HB       SER   4  -2.108  12.674  -1.219
   32    HB3  SER   4          1HB       SER   4  -0.676  12.925  -2.212
   33    HG   SER   4           HG       SER   4  -3.268  12.768  -2.946
   34    H    LYS   5           H        LYS   5   1.373  10.559  -2.251
   35    HA   LYS   5           HA       LYS   5   1.437  10.336  -5.100
   36    HB2  LYS   5          2HB       LYS   5   3.371  11.255  -3.932
   37    HB3  LYS   5          1HB       LYS   5   3.583   9.773  -3.009
   38    HG2  LYS   5          2HG       LYS   5   5.275   9.868  -4.748
   39    HG3  LYS   5          1HG       LYS   5   4.149   8.566  -5.121
   40    HD2  LYS   5          2HD       LYS   5   4.430   9.583  -7.222
   41    HD3  LYS   5          1HD       LYS   5   2.953  10.349  -6.643
   42    HE2  LYS   5          2HE       LYS   5   5.736  11.557  -6.507
   43    HE3  LYS   5          1HE       LYS   5   4.503  11.969  -7.694
   44    HZ1  LYS   5          1HZ       LYS   5   4.379  12.449  -4.771
   45    HZ2  LYS   5          2HZ       LYS   5   3.112  12.758  -5.843
   46    HZ3  LYS   5          3HZ       LYS   5   4.561  13.604  -5.985
   47    H    LEU   6           H        LEU   6   1.636   7.936  -2.436
   48    HA   LEU   6           HA       LEU   6   2.220   5.687  -4.074
   49    HB2  LEU   6          2HB       LEU   6   1.540   4.283  -2.134
   50    HB3  LEU   6          1HB       LEU   6   2.700   5.530  -1.742
   51    HG   LEU   6           HG       LEU   6   0.511   6.860  -0.949
   52   HD11  LEU   6          1HD1      LEU   6  -1.167   5.411   0.107
   53   HD12  LEU   6          2HD1      LEU   6  -0.399   3.988  -0.601
   54   HD13  LEU   6          3HD1      LEU   6  -1.136   5.204  -1.644
   55   HD21  LEU   6          1HD2      LEU   6   0.912   6.088   1.342
   56   HD22  LEU   6          2HD2      LEU   6   2.426   6.338   0.477
   57   HD23  LEU   6          3HD2      LEU   6   1.821   4.699   0.731
   58    H    ILE   7           H        ILE   7  -0.803   7.250  -3.165
   59    HA   ILE   7           HA       ILE   7  -2.615   5.393  -4.345
   60    HB   ILE   7           HB       ILE   7  -2.930   8.415  -3.996
   61   HG12  ILE   7          2HG1      ILE   7  -2.611   7.260  -1.831
   62   HG13  ILE   7          1HG1      ILE   7  -4.261   7.854  -1.966
   63   HG21  ILE   7          1HG2      ILE   7  -5.075   6.334  -4.613
   64   HG22  ILE   7          2HG2      ILE   7  -4.479   7.567  -5.723
   65   HG23  ILE   7          3HG2      ILE   7  -5.376   8.042  -4.277
   66   HD11  ILE   7          1HD1      ILE   7  -3.383   5.004  -2.409
   67   HD12  ILE   7          2HD1      ILE   7  -5.045   5.611  -2.489
   68   HD13  ILE   7          3HD1      ILE   7  -4.166   5.646  -0.963
   69    H    ASN   8           H        ASN   8  -1.348   8.500  -5.533
   70    HA   ASN   8           HA       ASN   8  -2.528   8.510  -8.059
   71    HB2  ASN   8          2HB       ASN   8  -1.475  10.500  -6.916
   72    HB3  ASN   8          1HB       ASN   8   0.112   9.860  -7.328
   73   HD21  ASN   8          1HD2      ASN   8   0.801   9.945  -9.515
   74   HD22  ASN   8          2HD2      ASN   8  -0.015  10.912 -10.690
   75    H    HIS   9           H        HIS   9   0.425   7.007  -7.009
   76    HA   HIS   9           HA       HIS   9   1.850   6.627  -9.363
   77    HB2  HIS   9          2HB       HIS   9   2.697   6.158  -7.064
   78    HB3  HIS   9          1HB       HIS   9   1.658   4.747  -6.965
   79    HD1  HIS   9           HD1      HIS   9   5.042   5.419  -7.340
   80    HD2  HIS   9           HD2      HIS   9   2.452   2.963  -9.449
   81    HE1  HIS   9           HE1      HIS   9   6.496   3.698  -8.433
   82    HE2  HIS   9           HE2      HIS   9   4.866   2.076  -9.464
   83    H    ILE  10           H        ILE  10  -0.247   4.146  -7.790
   84    HA   ILE  10           HA       ILE  10  -0.440   2.696 -10.297
   85    HB   ILE  10           HB       ILE  10  -1.836   1.045  -8.978
   86   HG12  ILE  10          2HG1      ILE  10  -1.297   1.200  -6.382
   87   HG13  ILE  10          1HG1      ILE  10  -1.133   2.916  -6.690
   88   HG21  ILE  10          1HG2      ILE  10   0.131   0.007  -7.887
   89   HG22  ILE  10          2HG2      ILE  10   1.024   1.518  -8.080
   90   HG23  ILE  10          3HG2      ILE  10   0.494   0.616  -9.503
   91   HD11  ILE  10          1HD1      ILE  10  -3.587   1.240  -7.144
   92   HD12  ILE  10          2HD1      ILE  10  -3.438   2.970  -7.476
   93   HD13  ILE  10          3HD1      ILE  10  -3.298   2.373  -5.824
   94    H    ALA  11           H        ALA  11  -2.447   4.954  -8.518
   95    HA   ALA  11           HA       ALA  11  -4.970   4.554  -9.602
   96    HB1  ALA  11          1HB       ALA  11  -5.365   6.959  -9.286
   97    HB2  ALA  11          2HB       ALA  11  -3.629   7.239  -9.138
   98    HB3  ALA  11          3HB       ALA  11  -4.473   6.288  -7.916
   99    H    THR  12           H        THR  12  -2.059   5.652 -11.190
  100    HA   THR  12           HA       THR  12  -3.107   6.815 -13.542
  101    HB   THR  12           HB       THR  12  -0.459   5.340 -13.180
  102    HG1  THR  12           HG1      THR  12  -0.453   7.031 -11.755
  103   HG21  THR  12          1HG2      THR  12  -1.283   7.401 -15.263
  104   HG22  THR  12          2HG2      THR  12  -0.961   5.692 -15.571
  105   HG23  THR  12          3HG2      THR  12   0.347   6.758 -15.050
  106    H    GLN  13           H        GLN  13  -2.164   3.491 -12.745
  107    HA   GLN  13           HA       GLN  13  -2.916   2.459 -15.406
  108    HB2  GLN  13          2HB       GLN  13  -1.707   0.405 -14.706
  109    HB3  GLN  13          1HB       GLN  13  -0.694   1.834 -14.534
  110    HG2  GLN  13          2HG       GLN  13  -1.261   1.871 -12.086
  111    HG3  GLN  13          1HG       GLN  13  -2.094   0.338 -12.289
  112   HE21  GLN  13          1HE2      GLN  13  -0.851  -1.537 -12.655
  113   HE22  GLN  13          2HE2      GLN  13   0.849  -1.573 -12.350
  114    H    PHE  14           H        PHE  14  -4.173   2.641 -12.230
  115    HA   PHE  14           HA       PHE  14  -5.841   0.239 -12.430
  116    HB2  PHE  14          2HB       PHE  14  -4.644   1.772 -10.164
  117    HB3  PHE  14          1HB       PHE  14  -6.302   1.261  -9.868
  118    HD1  PHE  14           HD1      PHE  14  -5.643  -0.246  -8.048
  119    HD2  PHE  14           HD2      PHE  14  -4.021  -0.742 -11.983
  120    HE1  PHE  14           HE1      PHE  14  -4.931  -2.522  -7.504
  121    HE2  PHE  14           HE2      PHE  14  -3.318  -3.009 -11.408
  122    HZ   PHE  14           HZ       PHE  14  -3.774  -3.905  -9.166
  123    H    LEU  15           H        LEU  15  -6.036   3.723 -12.230
  124    HA   LEU  15           HA       LEU  15  -9.009   3.588 -12.361
  125    HB2  LEU  15          2HB       LEU  15  -7.371   5.782 -11.054
  126    HB3  LEU  15          1HB       LEU  15  -9.113   5.566 -10.989
  127    HG   LEU  15           HG       LEU  15  -7.037   3.810  -9.609
  128   HD11  LEU  15          1HD1      LEU  15  -7.869   4.776  -7.553
  129   HD12  LEU  15          2HD1      LEU  15  -9.001   5.801  -8.433
  130   HD13  LEU  15          3HD1      LEU  15  -7.260   6.031  -8.621
  131   HD21  LEU  15          1HD2      LEU  15  -8.992   2.450 -10.237
  132   HD22  LEU  15          2HD2      LEU  15 -10.084   3.613  -9.480
  133   HD23  LEU  15          3HD2      LEU  15  -8.939   2.699  -8.494
  134    H    ASP  16           H        ASP  16  -6.675   3.940 -14.401
  135    HA   ASP  16           HA       ASP  16  -6.463   4.874 -16.456
  136    HB2  ASP  16          2HB       ASP  16  -9.098   4.714 -16.305
  137    HB3  ASP  16          1HB       ASP  16  -9.044   6.441 -16.036
  138    H    GLY  17           H        GLY  17  -5.687   6.295 -13.857
  139    HA2  GLY  17          2HA       GLY  17  -4.177   8.109 -13.702
  140    HA3  GLY  17          1HA       GLY  17  -4.998   8.919 -15.021
  141    H    GLU  18           H        GLU  18  -7.430   7.792 -13.088
  142    HA   GLU  18           HA       GLU  18  -7.879  10.465 -11.944
  143    HB2  GLU  18          2HB       GLU  18 -10.145   9.988 -12.064
  144    HB3  GLU  18          1HB       GLU  18  -9.615   8.764 -13.216
  145    HG2  GLU  18          2HG       GLU  18  -9.578   7.122 -11.284
  146    HG3  GLU  18          1HG       GLU  18 -10.359   8.352 -10.301
  147    H    LYS  19           H        LYS  19  -7.924  10.895  -9.742
  148    HA   LYS  19           HA       LYS  19  -7.600   8.614  -7.871
  149    HB2  LYS  19          2HB       LYS  19  -7.230  11.569  -7.290
  150    HB3  LYS  19          1HB       LYS  19  -6.947  10.229  -6.183
  151    HG2  LYS  19          2HG       LYS  19  -5.240   9.456  -8.058
  152    HG3  LYS  19          1HG       LYS  19  -5.294  11.163  -8.505
  153    HD2  LYS  19          2HD       LYS  19  -4.593  10.077  -5.745
  154    HD3  LYS  19          1HD       LYS  19  -3.423  10.607  -6.944
  155    HE2  LYS  19          2HE       LYS  19  -3.580  12.405  -5.405
  156    HE3  LYS  19          1HE       LYS  19  -4.545  12.928  -6.781
  157    HZ1  LYS  19          1HZ       LYS  19  -5.651  11.730  -4.298
  158    HZ2  LYS  19          2HZ       LYS  19  -6.532  12.371  -5.588
  159    HZ3  LYS  19          3HZ       LYS  19  -5.587  13.384  -4.632
  160    H    ASP  20           H        ASP  20  -9.614   7.888  -7.578
  161    HA   ASP  20           HA       ASP  20 -11.547   9.399  -6.092
  162    HB2  ASP  20          2HB       ASP  20 -12.067  10.283  -8.374
  163    HB3  ASP  20          1HB       ASP  20 -12.278   8.638  -8.968
  164    H    GLY  21           H        GLY  21 -12.458   7.927  -4.759
  165    HA2  GLY  21          2HA       GLY  21 -13.419   5.935  -4.035
  166    HA3  GLY  21          1HA       GLY  21 -13.084   5.193  -5.595
  167    H    LEU  22           H        LEU  22 -10.267   6.592  -4.857
  168    HA   LEU  22           HA       LEU  22  -9.180   4.464  -3.151
  169    HB2  LEU  22          2HB       LEU  22  -8.768   3.902  -5.539
  170    HB3  LEU  22          1HB       LEU  22  -7.998   5.459  -5.768
  171    HG   LEU  22           HG       LEU  22  -6.134   4.806  -4.305
  172   HD11  LEU  22          1HD1      LEU  22  -7.548   2.141  -3.951
  173   HD12  LEU  22          2HD1      LEU  22  -7.298   3.363  -2.702
  174   HD13  LEU  22          3HD1      LEU  22  -5.915   2.527  -3.400
  175   HD21  LEU  22          1HD2      LEU  22  -6.732   2.714  -6.427
  176   HD22  LEU  22          2HD2      LEU  22  -5.152   3.056  -5.723
  177   HD23  LEU  22          3HD2      LEU  22  -5.962   4.283  -6.687
  178    H    ASP  23           H        ASP  23  -8.607   5.576  -1.461
  179    HA   ASP  23           HA       ASP  23  -6.636   7.736  -1.634
  180    HB2  ASP  23          2HB       ASP  23  -9.298   7.872  -0.175
  181    HB3  ASP  23          1HB       ASP  23  -7.912   8.689   0.530
  182    H    SER  24           H        SER  24  -5.779   8.167   0.583
  183    HA   SER  24           HA       SER  24  -4.624   5.910   1.785
  184    HB2  SER  24          2HB       SER  24  -4.982   8.718   2.924
  185    HB3  SER  24          1HB       SER  24  -3.744   7.544   3.385
  186    HG   SER  24           HG       SER  24  -2.675   7.928   1.567
  187    H    GLN  25           H        GLN  25  -7.650   7.490   2.330
  188    HA   GLN  25           HA       GLN  25  -8.110   6.332   4.998
  189    HB2  GLN  25          2HB       GLN  25  -9.610   8.432   3.385
  190    HB3  GLN  25          1HB       GLN  25 -10.054   7.907   5.006
  191    HG2  GLN  25          2HG       GLN  25  -7.994   8.812   5.930
  192    HG3  GLN  25          1HG       GLN  25  -7.389   9.180   4.313
  193   HE21  GLN  25          1HE2      GLN  25  -9.669  10.102   6.803
  194   HE22  GLN  25          2HE2      GLN  25 -10.017  11.670   6.166
  195    H    THR  26           H        THR  26  -8.576   5.385   1.887
  196    HA   THR  26           HA       THR  26 -11.342   4.575   1.928
  197    HB   THR  26           HB       THR  26  -9.126   3.934  -0.051
  198    HG1  THR  26           HG1      THR  26 -11.123   5.935   0.095
  199   HG21  THR  26          1HG2      THR  26 -12.130   3.552  -0.328
  200   HG22  THR  26          2HG2      THR  26 -10.937   2.260  -0.223
  201   HG23  THR  26          3HG2      THR  26 -10.945   3.331  -1.625
  202    HA   PRO  27           HA       PRO  27 -10.629   0.305   3.446
  203    HB2  PRO  27          2HB       PRO  27 -13.106  -0.696   2.841
  204    HB3  PRO  27          1HB       PRO  27 -12.821   0.336   4.265
  205    HG2  PRO  27          2HG       PRO  27 -13.978   1.085   1.599
  206    HG3  PRO  27          1HG       PRO  27 -14.490   1.588   3.221
  207    HD2  PRO  27          2HD       PRO  27 -12.958   3.164   1.597
  208    HD3  PRO  27          1HD       PRO  27 -12.869   3.242   3.364
  209    H    LEU  28           H        LEU  28  -9.166  -0.561   2.000
  210    HA   LEU  28           HA       LEU  28  -9.608  -0.530  -0.852
  211    HB2  LEU  28          2HB       LEU  28  -7.326  -1.879   0.647
  212    HB3  LEU  28          1HB       LEU  28  -7.346  -1.394  -1.042
  213    HG   LEU  28           HG       LEU  28  -7.218   0.433   1.388
  214   HD11  LEU  28          1HD1      LEU  28  -5.192  -0.039  -0.816
  215   HD12  LEU  28          2HD1      LEU  28  -5.091  -0.611   0.851
  216   HD13  LEU  28          3HD1      LEU  28  -5.037   1.116   0.512
  217   HD21  LEU  28          1HD2      LEU  28  -7.482   1.249  -1.526
  218   HD22  LEU  28          2HD2      LEU  28  -7.091   2.341  -0.197
  219   HD23  LEU  28          3HD2      LEU  28  -8.652   1.530  -0.233
  220    H    PHE  29           H        PHE  29 -10.039  -2.816   1.712
  221    HA   PHE  29           HA       PHE  29 -10.190  -5.143  -0.019
  222    HB2  PHE  29          2HB       PHE  29  -9.887  -4.700   2.841
  223    HB3  PHE  29          1HB       PHE  29 -11.275  -5.749   2.597
  224    HD1  PHE  29           HD1      PHE  29  -7.849  -5.358   1.156
  225    HD2  PHE  29           HD2      PHE  29 -10.766  -8.046   2.740
  226    HE1  PHE  29           HE1      PHE  29  -6.327  -7.223   0.835
  227    HE2  PHE  29           HE2      PHE  29  -9.218  -9.922   2.410
  228    HZ   PHE  29           HZ       PHE  29  -6.988  -9.514   1.447
  229    H    GLU  30           H        GLU  30 -12.418  -3.153   1.886
  230    HA   GLU  30           HA       GLU  30 -14.790  -4.576   1.347
  231    HB2  GLU  30          2HB       GLU  30 -14.665  -2.977   3.186
  232    HB3  GLU  30          1HB       GLU  30 -14.365  -1.652   2.071
  233    HG2  GLU  30          2HG       GLU  30 -16.672  -1.646   2.969
  234    HG3  GLU  30          1HG       GLU  30 -16.626  -1.773   1.212
  235    H    LEU  31           H        LEU  31 -13.221  -1.913  -0.388
  236    HA   LEU  31           HA       LEU  31 -15.351  -1.894  -2.428
  237    HB2  LEU  31          2HB       LEU  31 -12.903  -0.108  -2.245
  238    HB3  LEU  31          1HB       LEU  31 -14.279   0.102  -3.317
  239    HG   LEU  31           HG       LEU  31 -14.181   0.520  -0.313
  240   HD11  LEU  31          1HD1      LEU  31 -13.396   2.383  -1.691
  241   HD12  LEU  31          2HD1      LEU  31 -14.871   2.792  -0.823
  242   HD13  LEU  31          3HD1      LEU  31 -14.940   2.420  -2.548
  243   HD21  LEU  31          1HD2      LEU  31 -16.611   1.008  -0.360
  244   HD22  LEU  31          2HD2      LEU  31 -16.273  -0.674  -0.752
  245   HD23  LEU  31          3HD2      LEU  31 -16.692   0.462  -2.036
  246    H    ASN  32           H        ASN  32 -12.215  -3.193  -1.860
  247    HA   ASN  32           HA       ASN  32 -10.853  -4.590  -3.004
  248    HB2  ASN  32          2HB       ASN  32 -13.041  -5.821  -3.312
  249    HB3  ASN  32          1HB       ASN  32 -13.259  -4.997  -4.847
  250   HD21  ASN  32          1HD2      ASN  32 -11.323  -7.382  -3.120
  251   HD22  ASN  32          2HD2      ASN  32 -10.702  -8.168  -4.526
  252    H    ILE  33           H        ILE  33 -10.737  -1.792  -3.604
  253    HA   ILE  33           HA       ILE  33 -10.680  -1.199  -6.382
  254    HB   ILE  33           HB       ILE  33  -9.204   0.241  -4.139
  255   HG12  ILE  33          2HG1      ILE  33 -11.637   0.128  -3.681
  256   HG13  ILE  33          1HG1      ILE  33 -11.159   1.780  -4.055
  257   HG21  ILE  33          1HG2      ILE  33  -8.305   0.887  -6.320
  258   HG22  ILE  33          2HG2      ILE  33  -9.254   2.225  -5.672
  259   HG23  ILE  33          3HG2      ILE  33  -9.930   1.196  -6.935
  260   HD11  ILE  33          1HD1      ILE  33 -12.041   1.502  -6.335
  261   HD12  ILE  33          2HD1      ILE  33 -13.267   1.244  -5.097
  262   HD13  ILE  33          3HD1      ILE  33 -12.554  -0.139  -5.926
  263    H    VAL  34           H        VAL  34  -8.019  -1.797  -4.069
  264    HA   VAL  34           HA       VAL  34  -6.090  -1.996  -6.246
  265    HB   VAL  34           HB       VAL  34  -5.470  -0.811  -4.125
  266   HG11  VAL  34          1HG1      VAL  34  -5.414  -3.573  -2.838
  267   HG12  VAL  34          2HG1      VAL  34  -6.565  -2.286  -2.464
  268   HG13  VAL  34          3HG1      VAL  34  -4.853  -2.074  -2.092
  269   HG21  VAL  34          1HG2      VAL  34  -3.698  -3.178  -4.860
  270   HG22  VAL  34          2HG2      VAL  34  -3.165  -1.756  -3.961
  271   HG23  VAL  34          3HG2      VAL  34  -3.705  -1.591  -5.632
  272    H    ASP  35           H        ASP  35  -4.980  -3.876  -6.807
  273    HA   ASP  35           HA       ASP  35  -6.230  -6.440  -6.116
  274    HB2  ASP  35          2HB       ASP  35  -5.916  -5.772  -8.531
  275    HB3  ASP  35          1HB       ASP  35  -4.185  -5.773  -8.298
  276    H    SER  36           H        SER  36  -4.736  -8.263  -5.942
  277    HA   SER  36           HA       SER  36  -2.995  -8.030  -3.728
  278    HB2  SER  36          2HB       SER  36  -4.375 -10.067  -4.524
  279    HB3  SER  36          1HB       SER  36  -3.096 -10.366  -5.688
  280    H    ALA  37           H        ALA  37  -2.450  -8.343  -7.245
  281    HA   ALA  37           HA       ALA  37   0.377  -8.697  -7.170
  282    HB1  ALA  37          1HB       ALA  37   0.298  -8.247  -9.586
  283    HB2  ALA  37          2HB       ALA  37  -1.350  -7.627  -9.430
  284    HB3  ALA  37          3HB       ALA  37  -1.006  -9.327  -9.100
  285    H    ALA  38           H        ALA  38  -1.610  -5.791  -7.093
  286    HA   ALA  38           HA       ALA  38   0.512  -3.932  -7.795
  287    HB1  ALA  38          1HB       ALA  38  -2.258  -3.386  -6.690
  288    HB2  ALA  38          2HB       ALA  38  -1.805  -3.400  -8.391
  289    HB3  ALA  38          3HB       ALA  38  -1.141  -2.166  -7.321
  290    H    ILE  39           H        ILE  39  -0.554  -5.497  -4.934
  291    HA   ILE  39           HA       ILE  39   0.090  -3.688  -2.910
  292    HB   ILE  39           HB       ILE  39   0.315  -6.724  -2.935
  293   HG12  ILE  39          2HG1      ILE  39  -1.957  -5.968  -3.306
  294   HG13  ILE  39          1HG1      ILE  39  -1.857  -6.601  -1.670
  295   HG21  ILE  39          1HG2      ILE  39   0.491  -4.904  -0.502
  296   HG22  ILE  39          2HG2      ILE  39   1.772  -5.944  -1.132
  297   HG23  ILE  39          3HG2      ILE  39   0.313  -6.658  -0.439
  298   HD11  ILE  39          1HD1      ILE  39  -1.897  -3.686  -2.455
  299   HD12  ILE  39          2HD1      ILE  39  -1.773  -4.304  -0.806
  300   HD13  ILE  39          3HD1      ILE  39  -3.223  -4.613  -1.755
  301    H    PHE  40           H        PHE  40   2.193  -5.968  -4.680
  302    HA   PHE  40           HA       PHE  40   4.601  -5.680  -3.325
  303    HB2  PHE  40          2HB       PHE  40   4.213  -7.300  -5.171
  304    HB3  PHE  40          1HB       PHE  40   4.200  -5.988  -6.338
  305    HD1  PHE  40           HD1      PHE  40   6.392  -7.583  -3.740
  306    HD2  PHE  40           HD2      PHE  40   6.245  -5.388  -7.418
  307    HE1  PHE  40           HE1      PHE  40   8.825  -7.805  -3.977
  308    HE2  PHE  40           HE2      PHE  40   8.682  -5.622  -7.646
  309    HZ   PHE  40           HZ       PHE  40   9.974  -6.827  -5.924
  310    H    ASP  41           H        ASP  41   3.165  -3.530  -5.735
  311    HA   ASP  41           HA       ASP  41   5.405  -1.788  -6.088
  312    HB2  ASP  41          2HB       ASP  41   3.619  -2.000  -7.799
  313    HB3  ASP  41          1HB       ASP  41   2.442  -1.334  -6.672
  314    H    LEU  42           H        LEU  42   2.380  -1.574  -4.199
  315    HA   LEU  42           HA       LEU  42   2.803   0.924  -2.963
  316    HB2  LEU  42          2HB       LEU  42   1.270  -1.483  -1.903
  317    HB3  LEU  42          1HB       LEU  42   1.137   0.149  -1.268
  318    HG   LEU  42           HG       LEU  42   0.283  -0.764  -4.048
  319   HD11  LEU  42          1HD1      LEU  42  -2.004  -0.314  -3.291
  320   HD12  LEU  42          2HD1      LEU  42  -1.411   0.077  -1.676
  321   HD13  LEU  42          3HD1      LEU  42  -1.234  -1.561  -2.311
  322   HD21  LEU  42          1HD2      LEU  42  -0.631   1.519  -4.350
  323   HD22  LEU  42          2HD2      LEU  42   1.119   1.538  -4.166
  324   HD23  LEU  42          3HD2      LEU  42   0.088   2.017  -2.815
  325    H    VAL  43           H        VAL  43   3.835  -2.304  -2.093
  326    HA   VAL  43           HA       VAL  43   4.947  -1.881   0.446
  327    HB   VAL  43           HB       VAL  43   5.797  -3.849  -1.718
  328   HG11  VAL  43          1HG1      VAL  43   7.624  -3.536  -0.123
  329   HG12  VAL  43          2HG1      VAL  43   6.914  -5.132   0.073
  330   HG13  VAL  43          3HG1      VAL  43   6.530  -3.851   1.224
  331   HG21  VAL  43          1HG2      VAL  43   4.148  -4.435   0.730
  332   HG22  VAL  43          2HG2      VAL  43   4.481  -5.506  -0.623
  333   HG23  VAL  43          3HG2      VAL  43   3.449  -4.100  -0.846
  334    H    ASP  44           H        ASP  44   6.399  -1.761  -2.831
  335    HA   ASP  44           HA       ASP  44   9.076  -1.315  -2.116
  336    HB2  ASP  44          2HB       ASP  44   8.220  -1.868  -4.434
  337    HB3  ASP  44          1HB       ASP  44   7.683  -0.218  -4.598
  338    H    PHE  45           H        PHE  45   6.401   0.913  -2.568
  339    HA   PHE  45           HA       PHE  45   7.854   3.310  -2.500
  340    HB2  PHE  45          2HB       PHE  45   5.480   3.043  -3.323
  341    HB3  PHE  45          1HB       PHE  45   4.952   2.875  -1.655
  342    HD1  PHE  45           HD1      PHE  45   6.155   5.223  -4.226
  343    HD2  PHE  45           HD2      PHE  45   4.933   4.859  -0.136
  344    HE1  PHE  45           HE1      PHE  45   5.954   7.658  -4.056
  345    HE2  PHE  45           HE2      PHE  45   4.735   7.302   0.014
  346    HZ   PHE  45           HZ       PHE  45   5.248   8.703  -1.943
  347    H    LEU  46           H        LEU  46   6.172   1.429   0.008
  348    HA   LEU  46           HA       LEU  46   6.752   3.112   2.229
  349    HB2  LEU  46          2HB       LEU  46   6.111   0.140   2.155
  350    HB3  LEU  46          1HB       LEU  46   6.086   1.140   3.598
  351    HG   LEU  46           HG       LEU  46   4.236   1.478   1.196
  352   HD11  LEU  46          1HD1      LEU  46   2.448   0.613   2.602
  353   HD12  LEU  46          2HD1      LEU  46   3.583   0.336   3.923
  354   HD13  LEU  46          3HD1      LEU  46   3.736  -0.579   2.422
  355   HD21  LEU  46          1HD2      LEU  46   4.624   3.637   2.290
  356   HD22  LEU  46          2HD2      LEU  46   4.203   2.950   3.859
  357   HD23  LEU  46          3HD2      LEU  46   2.977   3.083   2.598
  358    H    ARG  47           H        ARG  47   8.544   0.515   0.654
  359    HA   ARG  47           HA       ARG  47  10.502   0.034   2.687
  360    HB2  ARG  47          2HB       ARG  47  10.601  -0.410  -0.332
  361    HB3  ARG  47          1HB       ARG  47  11.844  -0.981   0.778
  362    HG2  ARG  47          2HG       ARG  47  10.295  -2.511   1.821
  363    HG3  ARG  47          1HG       ARG  47   8.942  -1.850   0.900
  364    HD2  ARG  47          2HD       ARG  47   9.618  -3.948  -0.102
  365    HD3  ARG  47          1HD       ARG  47  10.044  -2.643  -1.210
  366    HE   ARG  47           HE       ARG  47  11.909  -4.220   0.456
  367   HH11  ARG  47          1HH1      ARG  47  11.455  -2.017  -2.261
  368   HH12  ARG  47          2HH1      ARG  47  13.083  -2.198  -2.812
  369   HH21  ARG  47          1HH2      ARG  47  14.008  -4.475  -0.335
  370   HH22  ARG  47          2HH2      ARG  47  14.527  -3.584  -1.726
  371    H    GLN  48           H        GLN  48  10.277   2.073  -0.134
  372    HA   GLN  48           HA       GLN  48  12.820   3.199  -0.348
  373    HB2  GLN  48          2HB       GLN  48  11.120   3.375  -2.117
  374    HB3  GLN  48          1HB       GLN  48  10.062   4.296  -1.052
  375    HG2  GLN  48          2HG       GLN  48  11.859   6.108  -1.027
  376    HG3  GLN  48          1HG       GLN  48  12.664   5.209  -2.308
  377   HE21  GLN  48          1HE2      GLN  48   9.155   5.612  -1.932
  378   HE22  GLN  48          2HE2      GLN  48   8.942   6.538  -3.372
  379    H    GLU  49           H        GLU  49   9.913   4.340   1.327
  380    HA   GLU  49           HA       GLU  49  11.081   6.790   2.255
  381    HB2  GLU  49          2HB       GLU  49   8.441   5.409   2.883
  382    HB3  GLU  49          1HB       GLU  49   8.860   7.021   3.468
  383    HG2  GLU  49          2HG       GLU  49   8.450   6.149   0.588
  384    HG3  GLU  49          1HG       GLU  49   7.457   7.267   1.522
  385    H    SER  50           H        SER  50  10.199   3.718   3.790
  386    HA   SER  50           HA       SER  50  10.978   4.597   6.441
  387    HB2  SER  50          2HB       SER  50  10.215   1.813   5.489
  388    HB3  SER  50          1HB       SER  50  10.275   2.368   7.165
  389    HG   SER  50           HG       SER  50   8.308   2.624   5.332
  390    H    LYS  51           H        LYS  51  12.692   3.442   3.762
  391    HA   LYS  51           HA       LYS  51  14.832   2.824   3.376
  392    HB2  LYS  51          2HB       LYS  51  15.366   3.711   6.246
  393    HB3  LYS  51          1HB       LYS  51  16.571   3.559   4.974
  394    HG2  LYS  51          2HG       LYS  51  14.305   5.584   5.084
  395    HG3  LYS  51          1HG       LYS  51  16.016   5.908   5.369
  396    HD2  LYS  51          2HD       LYS  51  16.550   5.377   3.041
  397    HD3  LYS  51          1HD       LYS  51  14.877   4.902   2.731
  398    HE2  LYS  51          2HE       LYS  51  14.191   7.276   3.268
  399    HE3  LYS  51          1HE       LYS  51  15.904   7.696   3.349
  400    HZ1  LYS  51          1HZ       LYS  51  15.021   8.200   1.189
  401    HZ2  LYS  51          2HZ       LYS  51  14.467   6.617   0.995
  402    HZ3  LYS  51          3HZ       LYS  51  16.126   6.927   1.053
  403    H    VAL  52           H        VAL  52  13.112   0.764   4.049
  404    HA   VAL  52           HA       VAL  52  14.801  -1.163   5.534
  405    HB   VAL  52           HB       VAL  52  13.003  -0.236   7.056
  406   HG11  VAL  52          1HG1      VAL  52  11.034  -1.600   5.170
  407   HG12  VAL  52          2HG1      VAL  52  11.213   0.140   5.389
  408   HG13  VAL  52          3HG1      VAL  52  10.629  -0.858   6.723
  409   HG21  VAL  52          1HG2      VAL  52  12.746  -3.211   6.451
  410   HG22  VAL  52          2HG2      VAL  52  12.233  -2.426   7.946
  411   HG23  VAL  52          3HG2      VAL  52  13.944  -2.467   7.514
  412    H    SER  53           H        SER  53  14.617  -3.294   4.840
  413    HA   SER  53           HA       SER  53  13.047  -3.842   2.394
  414    HB2  SER  53          2HB       SER  53  14.565  -5.864   2.195
  415    HB3  SER  53          1HB       SER  53  15.409  -4.319   2.105
  416    HG   SER  53           HG       SER  53  16.104  -6.215   3.593
  417    H    ILE  54           H        ILE  54  11.825  -5.795   2.310
  418    HA   ILE  54           HA       ILE  54  10.817  -6.826   4.894
  419    HB   ILE  54           HB       ILE  54   9.367  -4.970   4.138
  420   HG12  ILE  54          2HG1      ILE  54   8.029  -7.702   3.812
  421   HG13  ILE  54          1HG1      ILE  54   8.202  -6.801   5.312
  422   HG21  ILE  54          1HG2      ILE  54   8.159  -5.038   2.013
  423   HG22  ILE  54          2HG2      ILE  54   8.953  -6.548   1.577
  424   HG23  ILE  54          3HG2      ILE  54   9.901  -5.068   1.737
  425   HD11  ILE  54          1HD1      ILE  54   6.519  -5.992   2.940
  426   HD12  ILE  54          2HD1      ILE  54   6.668  -5.093   4.454
  427   HD13  ILE  54          3HD1      ILE  54   5.939  -6.700   4.444
  428    H    GLY  55           H        GLY  55   9.913  -8.954   4.793
  429    HA2  GLY  55          2HA       GLY  55  10.741 -10.693   2.651
  430    HA3  GLY  55          1HA       GLY  55   9.772 -11.141   4.046
  431    H    MET  56           H        MET  56   9.477 -11.744   1.107
  432    HA   MET  56           HA       MET  56   7.183 -10.468   0.031
  433    HB2  MET  56          2HB       MET  56   8.385 -13.211  -0.498
  434    HB3  MET  56          1HB       MET  56   7.013 -12.585  -1.406
  435    HG2  MET  56          2HG       MET  56   9.757 -11.307  -1.300
  436    HG3  MET  56          1HG       MET  56   9.145 -12.312  -2.614
  437    HE1  MET  56          1HE       MET  56   6.193 -10.009  -3.982
  438    HE2  MET  56          2HE       MET  56   6.034 -11.247  -2.737
  439    HE3  MET  56          3HE       MET  56   7.014 -11.560  -4.173
  440    H    GLN  57           H        GLN  57   7.521 -12.919   2.467
  441    HA   GLN  57           HA       GLN  57   4.894 -14.040   2.346
  442    HB2  GLN  57          2HB       GLN  57   6.987 -14.030   4.559
  443    HB3  GLN  57          1HB       GLN  57   5.503 -14.982   4.618
  444    HG2  GLN  57          2HG       GLN  57   6.195 -16.265   2.664
  445    HG3  GLN  57          1HG       GLN  57   7.620 -15.247   2.459
  446   HE21  GLN  57          1HE2      GLN  57   9.003 -17.029   2.572
  447   HE22  GLN  57          2HE2      GLN  57   9.323 -17.862   4.055
  448    H    GLU  58           H        GLU  58   6.138 -11.087   3.697
  449    HA   GLU  58           HA       GLU  58   3.753 -10.590   5.352
  450    HB2  GLU  58          2HB       GLU  58   6.072  -8.723   4.707
  451    HB3  GLU  58          1HB       GLU  58   4.839  -8.471   5.941
  452    HG2  GLU  58          2HG       GLU  58   7.013 -10.573   5.919
  453    HG3  GLU  58          1HG       GLU  58   6.910  -9.161   6.970
  454    H    ILE  59           H        ILE  59   5.119  -9.791   2.216
  455    HA   ILE  59           HA       ILE  59   3.320  -7.709   1.479
  456    HB   ILE  59           HB       ILE  59   4.868  -9.604  -0.348
  457   HG12  ILE  59          2HG1      ILE  59   5.633  -6.848   0.735
  458   HG13  ILE  59          1HG1      ILE  59   6.390  -8.376   1.173
  459   HG21  ILE  59          1HG2      ILE  59   3.051  -8.507  -1.574
  460   HG22  ILE  59          2HG2      ILE  59   4.596  -7.818  -2.080
  461   HG23  ILE  59          3HG2      ILE  59   3.547  -6.926  -0.966
  462   HD11  ILE  59          1HD1      ILE  59   7.201  -8.606  -1.139
  463   HD12  ILE  59          2HD1      ILE  59   7.777  -7.135  -0.355
  464   HD13  ILE  59          3HD1      ILE  59   6.465  -7.048  -1.532
  465    H    HIS  60           H        HIS  60   1.309  -8.632   2.223
  466    HA   HIS  60           HA       HIS  60  -0.083  -9.814  -0.048
  467    HB2  HIS  60          2HB       HIS  60  -1.486 -11.249   1.518
  468    HB3  HIS  60          1HB       HIS  60   0.163 -11.804   1.271
  469    HD1  HIS  60           HD1      HIS  60   1.682 -11.934   3.291
  470    HD2  HIS  60           HD2      HIS  60  -1.995 -10.204   4.108
  471    HE1  HIS  60           HE1      HIS  60   1.568 -11.771   5.793
  472    HE2  HIS  60           HE2      HIS  60  -0.768 -10.941   6.267
  473    HA   PRO  61           HA       PRO  61  -2.731  -6.393   0.598
  474    HB2  PRO  61          2HB       PRO  61  -5.199  -7.303  -0.276
  475    HB3  PRO  61          1HB       PRO  61  -3.838  -6.976  -1.368
  476    HG2  PRO  61          2HG       PRO  61  -4.738  -9.601  -0.222
  477    HG3  PRO  61          1HG       PRO  61  -4.278  -9.200  -1.895
  478    HD2  PRO  61          2HD       PRO  61  -2.548 -10.419  -0.219
  479    HD3  PRO  61          1HD       PRO  61  -1.985  -9.233  -1.415
  480    H    ALA  62           H        ALA  62  -3.477  -9.271   2.439
  481    HA   ALA  62           HA       ALA  62  -5.670  -8.317   3.972
  482    HB1  ALA  62          1HB       ALA  62  -5.127 -10.093   5.581
  483    HB2  ALA  62          2HB       ALA  62  -3.549 -10.317   4.826
  484    HB3  ALA  62          3HB       ALA  62  -5.016 -10.700   3.927
  485    H    ASN  63           H        ASN  63  -2.213  -7.703   4.213
  486    HA   ASN  63           HA       ASN  63  -2.421  -6.219   6.735
  487    HB2  ASN  63          2HB       ASN  63  -0.095  -6.583   4.799
  488    HB3  ASN  63          1HB       ASN  63   0.009  -5.680   6.308
  489   HD21  ASN  63          1HD2      ASN  63   1.590  -7.935   5.549
  490   HD22  ASN  63          2HD2      ASN  63   1.286  -9.183   6.706
  491    H    PHE  64           H        PHE  64  -2.474  -5.673   3.318
  492    HA   PHE  64           HA       PHE  64  -2.229  -2.743   3.536
  493    HB2  PHE  64          2HB       PHE  64  -2.033  -4.683   1.176
  494    HB3  PHE  64          1HB       PHE  64  -2.020  -2.930   0.990
  495    HD1  PHE  64           HD1      PHE  64  -0.227  -5.653   2.858
  496    HD2  PHE  64           HD2      PHE  64   0.073  -1.845   0.929
  497    HE1  PHE  64           HE1      PHE  64   2.187  -5.658   3.216
  498    HE2  PHE  64           HE2      PHE  64   2.498  -1.848   1.320
  499    HZ   PHE  64           HZ       PHE  64   3.558  -3.765   2.453
  500    H    ALA  65           H        ALA  65  -4.590  -4.300   4.380
  501    HA   ALA  65           HA       ALA  65  -6.744  -4.218   2.558
  502    HB1  ALA  65          1HB       ALA  65  -6.813  -4.117   5.597
  503    HB2  ALA  65          2HB       ALA  65  -6.731  -5.583   4.620
  504    HB3  ALA  65          3HB       ALA  65  -8.164  -4.555   4.542
  505    H    THR  66           H        THR  66  -5.353  -1.806   4.685
  506    HA   THR  66           HA       THR  66  -6.675   0.310   3.153
  507    HB   THR  66           HB       THR  66  -6.911   1.773   5.206
  508    HG1  THR  66           HG1      THR  66  -7.037   0.443   7.251
  509   HG21  THR  66          1HG2      THR  66  -8.955   0.669   4.378
  510   HG22  THR  66          2HG2      THR  66  -8.983   0.800   6.137
  511   HG23  THR  66          3HG2      THR  66  -8.609  -0.748   5.372
  512    H    VAL  67           H        VAL  67  -5.362   2.386   3.405
  513    HA   VAL  67           HA       VAL  67  -2.539   1.867   3.417
  514    HB   VAL  67           HB       VAL  67  -4.001   4.535   3.397
  515   HG11  VAL  67          1HG1      VAL  67  -1.076   3.960   2.771
  516   HG12  VAL  67          2HG1      VAL  67  -1.687   4.868   4.156
  517   HG13  VAL  67          3HG1      VAL  67  -1.888   5.509   2.525
  518   HG21  VAL  67          1HG2      VAL  67  -3.591   4.511   0.947
  519   HG22  VAL  67          2HG2      VAL  67  -4.572   3.131   1.443
  520   HG23  VAL  67          3HG2      VAL  67  -2.858   2.910   1.080
  521    H    GLN  68           H        GLN  68  -4.834   2.919   5.803
  522    HA   GLN  68           HA       GLN  68  -3.121   3.820   7.837
  523    HB2  GLN  68          2HB       GLN  68  -5.577   4.131   7.877
  524    HB3  GLN  68          1HB       GLN  68  -5.806   2.396   8.066
  525    HG2  GLN  68          2HG       GLN  68  -6.112   3.522  10.208
  526    HG3  GLN  68          1HG       GLN  68  -4.681   2.492  10.271
  527   HE21  GLN  68          1HE2      GLN  68  -5.833   5.788  10.165
  528   HE22  GLN  68          2HE2      GLN  68  -4.359   6.539  10.654
  529    H    SER  69           H        SER  69  -4.425   0.575   7.179
  530    HA   SER  69           HA       SER  69  -3.136  -0.814   9.270
  531    HB2  SER  69          2HB       SER  69  -4.117  -1.897   6.591
  532    HB3  SER  69          1HB       SER  69  -3.753  -2.865   8.024
  533    HG   SER  69           HG       SER  69  -6.006  -1.565   7.379
  534    H    MET  70           H        MET  70  -2.153  -0.013   5.936
  535    HA   MET  70           HA       MET  70  -0.019  -1.939   5.836
  536    HB2  MET  70          2HB       MET  70   0.302  -1.332   3.605
  537    HB3  MET  70          1HB       MET  70  -1.407  -0.984   3.842
  538    HG2  MET  70          2HG       MET  70  -0.946   1.388   3.951
  539    HG3  MET  70          1HG       MET  70   0.789   1.103   3.926
  540    HE1  MET  70          1HE       MET  70  -2.554   1.022   1.738
  541    HE2  MET  70          2HE       MET  70  -2.041  -0.669   1.776
  542    HE3  MET  70          3HE       MET  70  -1.947   0.248   0.274
  543    H    VAL  71           H        VAL  71  -0.198   1.570   6.485
  544    HA   VAL  71           HA       VAL  71   2.625   2.013   6.423
  545    HB   VAL  71           HB       VAL  71   0.983   3.878   6.129
  546   HG11  VAL  71          1HG1      VAL  71  -0.669   3.303   7.848
  547   HG12  VAL  71          2HG1      VAL  71  -0.103   4.962   8.056
  548   HG13  VAL  71          3HG1      VAL  71   0.497   3.682   9.115
  549   HG21  VAL  71          1HG2      VAL  71   2.280   5.595   7.355
  550   HG22  VAL  71          2HG2      VAL  71   3.345   4.378   6.650
  551   HG23  VAL  71          3HG2      VAL  71   2.986   4.335   8.376
  552    H    ALA  72           H        ALA  72   0.298   1.205   8.932
  553    HA   ALA  72           HA       ALA  72   2.055   1.552  11.171
  554    HB1  ALA  72          1HB       ALA  72  -0.629   0.147  10.981
  555    HB2  ALA  72          2HB       ALA  72  -0.369   1.849  11.367
  556    HB3  ALA  72          3HB       ALA  72   0.202   0.600  12.478
  557    H    LEU  73           H        LEU  73   1.206  -1.134   9.071
  558    HA   LEU  73           HA       LEU  73   2.275  -3.326  10.461
  559    HB2  LEU  73          2HB       LEU  73   1.098  -4.017   8.574
  560    HB3  LEU  73          1HB       LEU  73   1.576  -2.616   7.640
  561    HG   LEU  73           HG       LEU  73   3.897  -3.756   7.468
  562   HD11  LEU  73          1HD1      LEU  73   3.921  -6.211   7.546
  563   HD12  LEU  73          2HD1      LEU  73   2.300  -6.202   8.246
  564   HD13  LEU  73          3HD1      LEU  73   3.649  -5.482   9.131
  565   HD21  LEU  73          1HD2      LEU  73   1.551  -4.905   5.959
  566   HD22  LEU  73          2HD2      LEU  73   3.240  -4.972   5.456
  567   HD23  LEU  73          3HD2      LEU  73   2.418  -3.417   5.583
  568    H    VAL  74           H        VAL  74   3.693  -1.031   8.150
  569    HA   VAL  74           HA       VAL  74   6.312  -2.087   8.127
  570    HB   VAL  74           HB       VAL  74   5.422   0.758   7.462
  571   HG11  VAL  74          1HG1      VAL  74   8.008  -0.682   6.722
  572   HG12  VAL  74          2HG1      VAL  74   7.858   0.664   7.851
  573   HG13  VAL  74          3HG1      VAL  74   7.526   0.913   6.138
  574   HG21  VAL  74          1HG2      VAL  74   4.250  -0.933   6.089
  575   HG22  VAL  74          2HG2      VAL  74   5.794  -1.637   5.610
  576   HG23  VAL  74          3HG2      VAL  74   5.377   0.001   5.103
  577    H    GLN  75           H        GLN  75   4.765   0.489  10.052
  578    HA   GLN  75           HA       GLN  75   7.043   1.440  11.446
  579    HB2  GLN  75          2HB       GLN  75   4.137   1.315  12.388
  580    HB3  GLN  75          1HB       GLN  75   5.407   2.278  13.140
  581    HG2  GLN  75          2HG       GLN  75   5.590   3.676  11.150
  582    HG3  GLN  75          1HG       GLN  75   4.437   2.656  10.294
  583   HE21  GLN  75          1HE2      GLN  75   4.305   5.526  10.870
  584   HE22  GLN  75          2HE2      GLN  75   2.829   5.770  11.737
  585    H    ARG  76           H        ARG  76   5.119  -1.456  11.910
  586    HA   ARG  76           HA       ARG  76   6.012  -2.018  14.596
  587    HB2  ARG  76          2HB       ARG  76   4.429  -3.622  12.568
  588    HB3  ARG  76          1HB       ARG  76   4.898  -4.300  14.130
  589    HG2  ARG  76          2HG       ARG  76   3.646  -2.555  15.305
  590    HG3  ARG  76          1HG       ARG  76   3.236  -1.779  13.772
  591    HD2  ARG  76          2HD       ARG  76   1.925  -3.751  13.110
  592    HD3  ARG  76          1HD       ARG  76   2.378  -4.570  14.612
  593    HE   ARG  76           HE       ARG  76   1.146  -2.064  15.157
  594   HH11  ARG  76          1HH1      ARG  76   0.292  -5.331  14.186
  595   HH12  ARG  76          2HH1      ARG  76  -1.304  -5.226  14.848
  596   HH21  ARG  76          1HH2      ARG  76  -0.946  -1.957  16.007
  597   HH22  ARG  76          2HH2      ARG  76  -2.005  -3.325  15.871
  598    H    LEU  77           H        LEU  77   6.852  -3.256  11.312
  599    HA   LEU  77           HA       LEU  77   8.942  -4.974  12.348
  600    HB2  LEU  77          2HB       LEU  77   9.639  -5.292   9.970
  601    HB3  LEU  77          1HB       LEU  77   7.964  -5.675  10.293
  602    HG   LEU  77           HG       LEU  77   7.424  -3.331   9.306
  603   HD11  LEU  77          1HD1      LEU  77   8.999  -2.469   7.609
  604   HD12  LEU  77          2HD1      LEU  77  10.228  -3.603   8.176
  605   HD13  LEU  77          3HD1      LEU  77   9.629  -2.336   9.253
  606   HD21  LEU  77          1HD2      LEU  77   8.417  -5.548   7.490
  607   HD22  LEU  77          2HD2      LEU  77   7.347  -4.225   7.014
  608   HD23  LEU  77          3HD2      LEU  77   6.807  -5.406   8.205
  609    H    LYS  78           H        LYS  78   8.707  -1.623  11.570
  610    HA   LYS  78           HA       LYS  78  11.483  -0.959  11.391
  611    HB2  LYS  78          2HB       LYS  78   9.015   0.678  12.060
  612    HB3  LYS  78          1HB       LYS  78  10.619   1.389  12.043
  613    HG2  LYS  78          2HG       LYS  78   9.234   0.096   9.676
  614    HG3  LYS  78          1HG       LYS  78   9.385   1.828   9.960
  615    HD2  LYS  78          2HD       LYS  78  11.761  -0.048   9.598
  616    HD3  LYS  78          1HD       LYS  78  11.032   0.876   8.287
  617    HE2  LYS  78          2HE       LYS  78  12.915   2.149   8.972
  618    HE3  LYS  78          1HE       LYS  78  11.528   2.973   9.681
  619    HZ1  LYS  78          1HZ       LYS  78  12.041   2.065  11.787
  620    HZ2  LYS  78          2HZ       LYS  78  13.465   2.712  11.162
  621    HZ3  LYS  78          3HZ       LYS  78  13.226   1.042  11.151
  622    H    ALA  79           H        ALA  79   9.197  -1.363  14.029
  623    HA   ALA  79           HA       ALA  79  10.708  -0.267  16.145
  624    HB1  ALA  79          1HB       ALA  79   9.229  -1.571  17.633
  625    HB2  ALA  79          2HB       ALA  79   8.649  -2.498  16.245
  626    HB3  ALA  79          3HB       ALA  79   8.305  -0.772  16.358
  627    H    HIS  80           H        HIS  80  10.885  -3.283  14.436
  628    HA   HIS  80           HA       HIS  80  12.842  -4.485  16.263
  629    HB2  HIS  80          2HB       HIS  80  11.625  -5.543  13.676
  630    HB3  HIS  80          1HB       HIS  80  12.706  -6.448  14.738
  631    HD1  HIS  80           HD1      HIS  80   9.206  -5.156  14.484
  632    HD2  HIS  80           HD2      HIS  80  11.468  -7.523  17.026
  633    HE1  HIS  80           HE1      HIS  80   7.560  -6.196  16.059
  634    HE2  HIS  80           HE2      HIS  80   8.967  -7.550  17.649
  635    HA   PRO  81           HA       PRO  81  16.439  -3.158  13.860
  636    HB2  PRO  81          2HB       PRO  81  17.564  -5.913  14.319
  637    HB3  PRO  81          1HB       PRO  81  18.225  -4.337  14.801
  638    HG2  PRO  81          2HG       PRO  81  17.180  -5.967  16.628
  639    HG3  PRO  81          1HG       PRO  81  16.929  -4.209  16.722
  640    HD2  PRO  81          2HD       PRO  81  15.009  -6.330  15.735
  641    HD3  PRO  81          1HD       PRO  81  14.704  -4.927  16.789
  642    H    GLU  82           H        GLU  82  15.253  -6.447  13.280
  643    HA   GLU  82           HA       GLU  82  15.011  -6.056  10.416
  644    HB2  GLU  82          2HB       GLU  82  17.399  -6.753  10.669
  645    HB3  GLU  82          1HB       GLU  82  16.887  -8.197  11.536
  646    HG2  GLU  82          2HG       GLU  82  15.681  -8.959   9.473
  647    HG3  GLU  82          1HG       GLU  82  16.303  -7.539   8.629
  648    H    GLN  83           H        GLN  83  13.010  -6.884  10.038
  649    HA   GLN  83           HA       GLN  83  12.165  -9.428  11.171
  650    HB2  GLN  83          2HB       GLN  83  11.687  -7.686  12.945
  651    HB3  GLN  83          1HB       GLN  83  10.601  -6.884  11.821
  652    HG2  GLN  83          2HG       GLN  83   9.398  -8.235  13.470
  653    HG3  GLN  83          1HG       GLN  83   9.114  -8.826  11.829
  654   HE21  GLN  83          1HE2      GLN  83   8.529 -10.900  12.513
  655   HE22  GLN  83          2HE2      GLN  83   9.654 -12.025  13.193
  656    H    GLY  84           H        GLY  84  10.501 -10.380  10.064
  657    HA2  GLY  84          2HA       GLY  84   8.587  -9.447   8.388
  658    HA3  GLY  84          1HA       GLY  84  10.023  -9.483   7.363
  659    H    GLY  85           H        GLY  85   8.886 -11.080   6.096
  660    HA2  GLY  85          2HA       GLY  85   8.327 -13.711   7.160
  661    HA3  GLY  85          1HA       GLY  85   8.262 -13.204   5.476
  662    H    ALA  86           H        ALA  86  10.356 -14.345   8.046
  663    HA   ALA  86           HA       ALA  86  12.793 -14.359   6.517
  664    HB1  ALA  86          1HB       ALA  86  13.765 -15.528   8.459
  665    HB2  ALA  86          2HB       ALA  86  12.155 -15.732   9.155
  666    HB3  ALA  86          3HB       ALA  86  12.832 -14.115   8.964
  667    H    ALA  87           H        ALA  87  12.521 -15.549   4.675
  668    HA   ALA  87           HA       ALA  87  11.469 -18.249   4.639
  669    HB1  ALA  87          1HB       ALA  87  11.046 -16.750   2.740
  670    HB2  ALA  87          2HB       ALA  87  11.957 -18.168   2.216
  671    HB3  ALA  87          3HB       ALA  87  12.778 -16.619   2.432
  672    H    LEU  88           H        LEU  88  12.661 -20.116   4.146
  673    HA   LEU  88           HA       LEU  88  15.303 -20.304   5.222
  674    HB2  LEU  88          2HB       LEU  88  13.469 -22.076   5.291
  675    HB3  LEU  88          1HB       LEU  88  13.787 -22.380   3.591
  676    HG   LEU  88           HG       LEU  88  16.160 -23.012   4.212
  677   HD11  LEU  88          1HD1      LEU  88  16.703 -23.528   6.552
  678   HD12  LEU  88          2HD1      LEU  88  15.155 -22.861   7.074
  679   HD13  LEU  88          3HD1      LEU  88  16.366 -21.810   6.333
  680   HD21  LEU  88          1HD2      LEU  88  13.986 -24.694   5.502
  681   HD22  LEU  88          2HD2      LEU  88  15.605 -25.247   5.066
  682   HD23  LEU  88          3HD2      LEU  88  14.480 -24.746   3.807
  683    H    GLU  89           H        GLU  89  17.278 -20.721   4.116
  684    HA   GLU  89           HA       GLU  89  17.307 -20.311   1.177
  685    HB2  GLU  89          2HB       GLU  89  17.937 -18.193   2.228
  686    HB3  GLU  89          1HB       GLU  89  19.121 -19.002   3.246
  687    HG2  GLU  89          2HG       GLU  89  20.157 -17.742   1.369
  688    HG3  GLU  89          1HG       GLU  89  20.546 -19.463   1.346
  689   H282  PNS 101          3H28      PNS 136   0.845  -9.519  -2.713
  690   H281  PNS 101          2H28      PNS 136   0.245  -9.580  -4.363
  691   H303  PNS 101          3H51      PNS 136   3.718 -11.801  -3.261
  692   H302  PNS 101          2H51      PNS 136   2.893 -10.798  -2.073
  693   H301  PNS 101          1H51      PNS 136   2.125 -12.280  -2.660
  694   H313  PNS 101          3H52      PNS 136   2.515  -8.851  -5.199
  695   H312  PNS 101          2H52      PNS 136   3.961  -9.772  -4.752
  696   H311  PNS 101          1H52      PNS 136   3.104  -8.807  -3.534
  697    H32  PNS 101           H32      PNS 136   1.345 -12.408  -5.076
  698    H33  PNS 101           H33      PNS 136   0.342 -10.583  -6.069
  699    H36  PNS 101           H36      PNS 136   3.242 -10.370  -7.024
  700   H372  PNS 101          3H37      PNS 136   5.037 -10.641  -8.329
  701   H371  PNS 101          2H37      PNS 136   5.804 -10.574  -6.747
  702   H382  PNS 101          3H38      PNS 136   5.814 -13.087  -6.698
  703   H381  PNS 101          2H38      PNS 136   5.187 -13.080  -8.358
  704    H41  PNS 101           H41      PNS 136   7.464 -11.192  -6.535
  705   H422  PNS 101          3H42      PNS 136   9.270 -10.244  -8.236
  706   H421  PNS 101          2H42      PNS 136   9.874 -11.868  -7.883
  707   H431  PNS 101          2H43      PNS 136  10.800 -10.164  -6.292
  708   H432  PNS 101          3H43      PNS 136   9.129  -9.782  -5.777
  709    H44  PNS 101           H44      PNS 136  10.628 -12.856  -5.484
  Start of MODEL   18
    1    H1   MET   1          1H        MET   1  -0.007  15.537  -0.259
    2    H2   MET   1          2H        MET   1   0.994  14.360   0.418
    3    H3   MET   1          3H        MET   1  -0.230  13.909  -0.653
    4    HA   MET   1           HA       MET   1   0.805  14.981  -2.448
    5    HB2  MET   1          2HB       MET   1   1.761  16.874  -1.169
    6    HB3  MET   1          1HB       MET   1   2.956  15.801  -0.457
    7    HG2  MET   1          2HG       MET   1   3.996  15.455  -2.638
    8    HG3  MET   1          1HG       MET   1   2.739  16.423  -3.418
    9    HE1  MET   1          1HE       MET   1   4.663  17.967  -4.554
   10    HE2  MET   1          2HE       MET   1   5.930  17.034  -3.755
   11    HE3  MET   1          3HE       MET   1   5.912  18.792  -3.621
   12    H    LEU   2           H        LEU   2   2.738  13.432   0.145
   13    HA   LEU   2           HA       LEU   2   4.376  11.904  -1.643
   14    HB2  LEU   2          2HB       LEU   2   5.121  12.682   0.611
   15    HB3  LEU   2          1HB       LEU   2   3.955  11.597   1.355
   16    HG   LEU   2           HG       LEU   2   5.192   9.659   0.235
   17   HD11  LEU   2          1HD1      LEU   2   7.292  11.773  -0.335
   18   HD12  LEU   2          2HD1      LEU   2   6.332  10.893  -1.528
   19   HD13  LEU   2          3HD1      LEU   2   7.495  10.027  -0.528
   20   HD21  LEU   2          1HD2      LEU   2   6.972   9.556   1.904
   21   HD22  LEU   2          2HD2      LEU   2   5.473  10.144   2.620
   22   HD23  LEU   2          3HD2      LEU   2   6.778  11.276   2.252
   23    H    GLU   3           H        GLU   3   1.829  10.942   0.722
   24    HA   GLU   3           HA       GLU   3   1.583   8.253  -0.191
   25    HB2  GLU   3          2HB       GLU   3  -0.506   9.922   1.294
   26    HB3  GLU   3          1HB       GLU   3  -0.600   8.185   1.038
   27    HG2  GLU   3          2HG       GLU   3   0.129   8.437   3.266
   28    HG3  GLU   3          1HG       GLU   3   1.571   7.991   2.359
   29    H    SER   4           H        SER   4  -0.063  11.256  -0.972
   30    HA   SER   4           HA       SER   4  -2.052  10.403  -2.723
   31    HB2  SER   4          2HB       SER   4  -0.417  12.966  -2.969
   32    HB3  SER   4          1HB       SER   4  -2.075  12.705  -3.509
   33    HG   SER   4           HG       SER   4  -2.679  12.496  -1.323
   34    H    LYS   5           H        LYS   5   1.409  10.722  -3.198
   35    HA   LYS   5           HA       LYS   5   1.449  10.688  -6.068
   36    HB2  LYS   5          2HB       LYS   5   3.169  11.808  -4.655
   37    HB3  LYS   5          1HB       LYS   5   3.678  10.241  -4.038
   38    HG2  LYS   5          2HG       LYS   5   4.475   9.592  -6.269
   39    HG3  LYS   5          1HG       LYS   5   3.878  11.115  -6.942
   40    HD2  LYS   5          2HD       LYS   5   5.448  12.354  -5.419
   41    HD3  LYS   5          1HD       LYS   5   6.091  10.803  -4.869
   42    HE2  LYS   5          2HE       LYS   5   6.208  11.874  -7.712
   43    HE3  LYS   5          1HE       LYS   5   7.553  11.804  -6.570
   44    HZ1  LYS   5          1HZ       LYS   5   7.248   9.368  -6.529
   45    HZ2  LYS   5          2HZ       LYS   5   7.712   9.971  -8.032
   46    HZ3  LYS   5          3HZ       LYS   5   6.107   9.516  -7.770
   47    H    LEU   6           H        LEU   6   2.080   8.246  -3.490
   48    HA   LEU   6           HA       LEU   6   2.858   6.167  -5.291
   49    HB2  LEU   6          2HB       LEU   6   2.834   4.639  -3.395
   50    HB3  LEU   6          1HB       LEU   6   3.620   6.140  -2.969
   51    HG   LEU   6           HG       LEU   6   1.269   6.739  -1.896
   52   HD11  LEU   6          1HD1      LEU   6   1.094   3.713  -1.827
   53   HD12  LEU   6          2HD1      LEU   6  -0.006   4.818  -2.655
   54   HD13  LEU   6          3HD1      LEU   6   0.087   4.830  -0.899
   55   HD21  LEU   6          1HD2      LEU   6   2.018   5.869   0.275
   56   HD22  LEU   6          2HD2      LEU   6   3.347   6.587  -0.632
   57   HD23  LEU   6          3HD2      LEU   6   3.195   4.831  -0.539
   58    H    ILE   7           H        ILE   7  -0.226   7.142  -3.868
   59    HA   ILE   7           HA       ILE   7  -1.830   5.026  -4.885
   60    HB   ILE   7           HB       ILE   7  -2.602   7.931  -4.367
   61   HG12  ILE   7          2HG1      ILE   7  -3.138   5.553  -2.534
   62   HG13  ILE   7          1HG1      ILE   7  -1.692   6.545  -2.387
   63   HG21  ILE   7          1HG2      ILE   7  -4.955   7.156  -4.291
   64   HG22  ILE   7          2HG2      ILE   7  -4.440   5.520  -4.707
   65   HG23  ILE   7          3HG2      ILE   7  -4.235   6.828  -5.874
   66   HD11  ILE   7          1HD1      ILE   7  -4.532   7.513  -2.090
   67   HD12  ILE   7          2HD1      ILE   7  -3.082   8.512  -1.952
   68   HD13  ILE   7          3HD1      ILE   7  -3.377   7.217  -0.794
   69    H    ASN   8           H        ASN   8  -1.133   8.311  -6.160
   70    HA   ASN   8           HA       ASN   8  -2.626   8.155  -8.520
   71    HB2  ASN   8          2HB       ASN   8  -1.753  10.289  -7.595
   72    HB3  ASN   8          1HB       ASN   8  -0.112   9.810  -8.023
   73   HD21  ASN   8          1HD2      ASN   8   0.533   9.902 -10.216
   74   HD22  ASN   8          2HD2      ASN   8  -0.414  10.697 -11.424
   75    H    HIS   9           H        HIS   9   0.558   6.965  -7.776
   76    HA   HIS   9           HA       HIS   9   1.739   6.678 -10.273
   77    HB2  HIS   9          2HB       HIS   9   2.924   6.341  -8.130
   78    HB3  HIS   9          1HB       HIS   9   2.012   4.866  -7.837
   79    HD1  HIS   9           HD1      HIS   9   4.965   6.185  -9.689
   80    HD2  HIS   9           HD2      HIS   9   2.809   2.650  -9.450
   81    HE1  HIS   9           HE1      HIS   9   6.431   4.432 -10.727
   82    HE2  HIS   9           HE2      HIS   9   5.216   2.266 -10.286
   83    H    ILE  10           H        ILE  10   0.085   4.012  -8.478
   84    HA   ILE  10           HA       ILE  10  -0.253   2.533 -10.951
   85    HB   ILE  10           HB       ILE  10  -1.591   0.908  -9.372
   86   HG12  ILE  10          2HG1      ILE  10  -0.626   0.950  -6.998
   87   HG13  ILE  10          1HG1      ILE  10  -0.095   2.588  -7.310
   88   HG21  ILE  10          1HG2      ILE  10   1.425   1.168  -9.162
   89   HG22  ILE  10          2HG2      ILE  10   0.520   0.333 -10.426
   90   HG23  ILE  10          3HG2      ILE  10   0.482  -0.278  -8.773
   91   HD11  ILE  10          1HD1      ILE  10  -2.932   1.591  -7.259
   92   HD12  ILE  10          2HD1      ILE  10  -2.434   3.242  -7.641
   93   HD13  ILE  10          3HD1      ILE  10  -2.121   2.575  -6.037
   94    H    ALA  11           H        ALA  11  -2.254   4.658  -9.011
   95    HA   ALA  11           HA       ALA  11  -4.818   4.085  -9.910
   96    HB1  ALA  11          1HB       ALA  11  -4.336   5.790  -8.184
   97    HB2  ALA  11          2HB       ALA  11  -5.398   6.417  -9.447
   98    HB3  ALA  11          3HB       ALA  11  -3.688   6.859  -9.426
   99    H    THR  12           H        THR  12  -2.135   5.393 -11.703
  100    HA   THR  12           HA       THR  12  -3.470   6.583 -13.889
  101    HB   THR  12           HB       THR  12  -0.793   5.123 -13.927
  102    HG1  THR  12           HG1      THR  12  -0.695   6.714 -12.375
  103   HG21  THR  12          1HG2      THR  12  -1.599   5.638 -16.213
  104   HG22  THR  12          2HG2      THR  12  -0.221   6.656 -15.790
  105   HG23  THR  12          3HG2      THR  12  -1.854   7.323 -15.752
  106    H    GLN  13           H        GLN  13  -2.437   3.233 -13.272
  107    HA   GLN  13           HA       GLN  13  -3.707   2.274 -15.763
  108    HB2  GLN  13          2HB       GLN  13  -2.492   0.160 -15.357
  109    HB3  GLN  13          1HB       GLN  13  -1.412   1.545 -15.453
  110    HG2  GLN  13          2HG       GLN  13  -1.210   1.561 -12.994
  111    HG3  GLN  13          1HG       GLN  13  -2.284   0.165 -12.893
  112   HE21  GLN  13          1HE2      GLN  13   0.521   0.463 -12.046
  113   HE22  GLN  13          2HE2      GLN  13   1.392  -0.787 -12.855
  114    H    PHE  14           H        PHE  14  -4.304   2.449 -12.411
  115    HA   PHE  14           HA       PHE  14  -6.072   0.116 -12.300
  116    HB2  PHE  14          2HB       PHE  14  -4.633   1.791 -10.272
  117    HB3  PHE  14          1HB       PHE  14  -6.273   1.361  -9.787
  118    HD1  PHE  14           HD1      PHE  14  -6.668  -0.744  -8.808
  119    HD2  PHE  14           HD2      PHE  14  -3.089  -0.161 -11.078
  120    HE1  PHE  14           HE1      PHE  14  -5.906  -2.982  -8.180
  121    HE2  PHE  14           HE2      PHE  14  -2.344  -2.414 -10.459
  122    HZ   PHE  14           HZ       PHE  14  -3.750  -3.837  -9.014
  123    H    LEU  15           H        LEU  15  -6.190   3.633 -12.370
  124    HA   LEU  15           HA       LEU  15  -9.164   3.620 -12.286
  125    HB2  LEU  15          2HB       LEU  15  -7.464   5.734 -10.920
  126    HB3  LEU  15          1HB       LEU  15  -9.202   5.516 -10.811
  127    HG   LEU  15           HG       LEU  15  -7.089   3.710  -9.551
  128   HD11  LEU  15          1HD1      LEU  15  -7.272   5.952  -8.539
  129   HD12  LEU  15          2HD1      LEU  15  -7.773   4.675  -7.457
  130   HD13  LEU  15          3HD1      LEU  15  -8.990   5.683  -8.230
  131   HD21  LEU  15          1HD2      LEU  15  -8.960   2.609  -8.373
  132   HD22  LEU  15          2HD2      LEU  15  -9.108   2.406 -10.114
  133   HD23  LEU  15          3HD2      LEU  15 -10.133   3.575  -9.277
  134    H    ASP  16           H        ASP  16  -6.815   4.127 -14.376
  135    HA   ASP  16           HA       ASP  16  -6.691   5.228 -16.373
  136    HB2  ASP  16          2HB       ASP  16  -9.247   4.988 -16.281
  137    HB3  ASP  16          1HB       ASP  16  -9.314   6.612 -15.636
  138    H    GLY  17           H        GLY  17  -5.787   6.457 -13.716
  139    HA2  GLY  17          2HA       GLY  17  -4.408   8.304 -13.299
  140    HA3  GLY  17          1HA       GLY  17  -5.044   9.107 -14.723
  141    H    GLU  18           H        GLU  18  -7.378   7.773 -12.565
  142    HA   GLU  18           HA       GLU  18  -8.011  10.438 -11.427
  143    HB2  GLU  18          2HB       GLU  18 -10.248  10.076 -11.789
  144    HB3  GLU  18          1HB       GLU  18  -9.694   8.913 -12.993
  145    HG2  GLU  18          2HG       GLU  18 -10.048   7.073 -11.426
  146    HG3  GLU  18          1HG       GLU  18 -10.477   8.202 -10.139
  147    H    LYS  19           H        LYS  19  -8.545  10.538  -9.149
  148    HA   LYS  19           HA       LYS  19  -7.897   8.091  -7.572
  149    HB2  LYS  19          2HB       LYS  19  -8.038  10.972  -6.614
  150    HB3  LYS  19          1HB       LYS  19  -7.621   9.564  -5.634
  151    HG2  LYS  19          2HG       LYS  19  -5.687   9.210  -7.359
  152    HG3  LYS  19          1HG       LYS  19  -5.999  10.886  -7.821
  153    HD2  LYS  19          2HD       LYS  19  -5.315   9.912  -5.027
  154    HD3  LYS  19          1HD       LYS  19  -4.200  10.722  -6.131
  155    HE2  LYS  19          2HE       LYS  19  -5.630  12.754  -6.065
  156    HE3  LYS  19          1HE       LYS  19  -6.728  11.940  -4.950
  157    HZ1  LYS  19          1HZ       LYS  19  -5.203  13.419  -3.831
  158    HZ2  LYS  19          2HZ       LYS  19  -3.879  12.541  -4.405
  159    HZ3  LYS  19          3HZ       LYS  19  -4.977  11.822  -3.338
  160    H    ASP  20           H        ASP  20  -9.727   6.969  -7.325
  161    HA   ASP  20           HA       ASP  20 -11.853   7.975  -5.709
  162    HB2  ASP  20          2HB       ASP  20 -12.514   8.943  -7.930
  163    HB3  ASP  20          1HB       ASP  20 -12.603   7.314  -8.592
  164    H    GLY  21           H        GLY  21 -12.479   6.325  -4.499
  165    HA2  GLY  21          2HA       GLY  21 -13.046   4.167  -3.840
  166    HA3  GLY  21          1HA       GLY  21 -12.604   3.561  -5.428
  167    H    LEU  22           H        LEU  22 -10.004   5.116  -5.121
  168    HA   LEU  22           HA       LEU  22  -8.524   3.308  -3.318
  169    HB2  LEU  22          2HB       LEU  22  -8.287   2.770  -5.772
  170    HB3  LEU  22          1HB       LEU  22  -7.667   4.377  -6.021
  171    HG   LEU  22           HG       LEU  22  -5.677   3.855  -4.646
  172   HD11  LEU  22          1HD1      LEU  22  -6.609   2.199  -3.126
  173   HD12  LEU  22          2HD1      LEU  22  -5.201   1.542  -3.951
  174   HD13  LEU  22          3HD1      LEU  22  -6.822   1.055  -4.453
  175   HD21  LEU  22          1HD2      LEU  22  -6.198   1.919  -6.927
  176   HD22  LEU  22          2HD2      LEU  22  -4.615   2.302  -6.253
  177   HD23  LEU  22          3HD2      LEU  22  -5.550   3.558  -7.056
  178    H    ASP  23           H        ASP  23  -8.012   4.571  -1.721
  179    HA   ASP  23           HA       ASP  23  -6.171   6.752  -2.028
  180    HB2  ASP  23          2HB       ASP  23  -8.122   8.162  -2.152
  181    HB3  ASP  23          1HB       ASP  23  -8.983   7.234  -0.935
  182    H    SER  24           H        SER  24  -5.285   7.356   0.120
  183    HA   SER  24           HA       SER  24  -4.283   5.142   1.417
  184    HB2  SER  24          2HB       SER  24  -3.427   6.863   3.084
  185    HB3  SER  24          1HB       SER  24  -3.128   7.281   1.395
  186    HG   SER  24           HG       SER  24  -5.179   8.546   1.594
  187    H    GLN  25           H        GLN  25  -6.888   7.338   2.543
  188    HA   GLN  25           HA       GLN  25  -7.304   5.685   4.949
  189    HB2  GLN  25          2HB       GLN  25  -8.364   8.432   4.181
  190    HB3  GLN  25          1HB       GLN  25  -8.732   7.600   5.691
  191    HG2  GLN  25          2HG       GLN  25  -6.408   7.667   6.370
  192    HG3  GLN  25          1HG       GLN  25  -5.928   8.333   4.809
  193   HE21  GLN  25          1HE2      GLN  25  -7.467   9.009   7.862
  194   HE22  GLN  25          2HE2      GLN  25  -7.487  10.728   7.698
  195    H    THR  26           H        THR  26  -8.455   5.783   1.878
  196    HA   THR  26           HA       THR  26 -11.204   5.106   2.313
  197    HB   THR  26           HB       THR  26  -9.345   4.729  -0.058
  198    HG1  THR  26           HG1      THR  26 -10.079   6.881   0.630
  199   HG21  THR  26          1HG2      THR  26 -11.413   4.296  -1.403
  200   HG22  THR  26          2HG2      THR  26 -12.324   4.151   0.108
  201   HG23  THR  26          3HG2      THR  26 -11.039   2.999  -0.265
  202    HA   PRO  27           HA       PRO  27 -10.446   0.771   3.475
  203    HB2  PRO  27          2HB       PRO  27 -12.975  -0.182   3.216
  204    HB3  PRO  27          1HB       PRO  27 -12.507   0.868   4.578
  205    HG2  PRO  27          2HG       PRO  27 -13.950   1.601   2.044
  206    HG3  PRO  27          1HG       PRO  27 -14.300   2.106   3.708
  207    HD2  PRO  27          2HD       PRO  27 -12.943   3.693   1.965
  208    HD3  PRO  27          1HD       PRO  27 -12.630   3.729   3.710
  209    H    LEU  28           H        LEU  28  -9.157   0.150   1.769
  210    HA   LEU  28           HA       LEU  28  -9.885   0.203  -0.959
  211    HB2  LEU  28          2HB       LEU  28  -7.613  -1.363   0.316
  212    HB3  LEU  28          1HB       LEU  28  -7.733  -0.905  -1.378
  213    HG   LEU  28           HG       LEU  28  -7.292   0.947   0.995
  214   HD11  LEU  28          1HD1      LEU  28  -5.498   0.341  -1.370
  215   HD12  LEU  28          2HD1      LEU  28  -5.281  -0.234   0.286
  216   HD13  LEU  28          3HD1      LEU  28  -5.162   1.488  -0.068
  217   HD21  LEU  28          1HD2      LEU  28  -8.798   2.104  -0.486
  218   HD22  LEU  28          2HD2      LEU  28  -7.813   1.705  -1.895
  219   HD23  LEU  28          3HD2      LEU  28  -7.190   2.805  -0.663
  220    H    PHE  29           H        PHE  29  -9.646  -2.524   1.315
  221    HA   PHE  29           HA       PHE  29 -10.665  -4.388  -0.704
  222    HB2  PHE  29          2HB       PHE  29  -9.151  -4.761   1.871
  223    HB3  PHE  29          1HB       PHE  29 -10.134  -6.101   1.271
  224    HD1  PHE  29           HD1      PHE  29  -7.267  -3.879   0.451
  225    HD2  PHE  29           HD2      PHE  29  -9.538  -7.309  -0.731
  226    HE1  PHE  29           HE1      PHE  29  -5.608  -4.393  -1.269
  227    HE2  PHE  29           HE2      PHE  29  -7.864  -7.820  -2.449
  228    HZ   PHE  29           HZ       PHE  29  -5.907  -6.361  -2.730
  229    H    GLU  30           H        GLU  30 -12.000  -2.666   1.972
  230    HA   GLU  30           HA       GLU  30 -14.362  -4.267   2.231
  231    HB2  GLU  30          2HB       GLU  30 -13.866  -2.503   3.860
  232    HB3  GLU  30          1HB       GLU  30 -13.913  -1.280   2.598
  233    HG2  GLU  30          2HG       GLU  30 -15.929  -1.195   3.983
  234    HG3  GLU  30          1HG       GLU  30 -16.321  -1.611   2.314
  235    H    LEU  31           H        LEU  31 -13.381  -1.623   0.091
  236    HA   LEU  31           HA       LEU  31 -15.773  -1.848  -1.594
  237    HB2  LEU  31          2HB       LEU  31 -13.313  -0.090  -1.932
  238    HB3  LEU  31          1HB       LEU  31 -14.855   0.094  -2.761
  239    HG   LEU  31           HG       LEU  31 -14.381   0.484   0.222
  240   HD11  LEU  31          1HD1      LEU  31 -13.384   2.262  -1.125
  241   HD12  LEU  31          2HD1      LEU  31 -14.723   2.845  -0.142
  242   HD13  LEU  31          3HD1      LEU  31 -14.950   2.588  -1.873
  243   HD21  LEU  31          1HD2      LEU  31 -16.699   1.313   0.345
  244   HD22  LEU  31          2HD2      LEU  31 -16.635  -0.375  -0.151
  245   HD23  LEU  31          3HD2      LEU  31 -16.956   0.882  -1.350
  246    H    ASN  32           H        ASN  32 -12.628  -3.136  -1.390
  247    HA   ASN  32           HA       ASN  32 -11.420  -4.660  -2.567
  248    HB2  ASN  32          2HB       ASN  32 -14.148  -5.207  -3.805
  249    HB3  ASN  32          1HB       ASN  32 -12.734  -6.193  -4.164
  250   HD21  ASN  32          1HD2      ASN  32 -15.092  -5.341  -1.735
  251   HD22  ASN  32          2HD2      ASN  32 -14.693  -6.600  -0.622
  252    H    ILE  33           H        ILE  33 -11.370  -1.985  -3.557
  253    HA   ILE  33           HA       ILE  33 -11.646  -1.832  -6.395
  254    HB   ILE  33           HB       ILE  33 -10.186  -0.007  -4.437
  255   HG12  ILE  33          2HG1      ILE  33 -12.580  -0.231  -3.909
  256   HG13  ILE  33          1HG1      ILE  33 -12.271   1.375  -4.550
  257   HG21  ILE  33          1HG2      ILE  33 -11.011   0.603  -7.303
  258   HG22  ILE  33          2HG2      ILE  33  -9.357   0.424  -6.714
  259   HG23  ILE  33          3HG2      ILE  33 -10.350   1.770  -6.154
  260   HD11  ILE  33          1HD1      ILE  33 -14.333   0.488  -5.413
  261   HD12  ILE  33          2HD1      ILE  33 -13.507  -0.936  -6.042
  262   HD13  ILE  33          3HD1      ILE  33 -13.170   0.658  -6.725
  263    H    VAL  34           H        VAL  34  -8.738  -1.936  -4.306
  264    HA   VAL  34           HA       VAL  34  -7.005  -2.256  -6.654
  265    HB   VAL  34           HB       VAL  34  -6.339  -0.669  -4.860
  266   HG11  VAL  34          1HG1      VAL  34  -5.864  -3.111  -3.116
  267   HG12  VAL  34          2HG1      VAL  34  -7.128  -1.899  -2.872
  268   HG13  VAL  34          3HG1      VAL  34  -5.429  -1.445  -2.707
  269   HG21  VAL  34          1HG2      VAL  34  -3.937  -1.272  -4.732
  270   HG22  VAL  34          2HG2      VAL  34  -4.595  -1.538  -6.347
  271   HG23  VAL  34          3HG2      VAL  34  -4.325  -2.910  -5.272
  272    H    ASP  35           H        ASP  35  -5.545  -3.985  -6.896
  273    HA   ASP  35           HA       ASP  35  -6.310  -6.537  -5.607
  274    HB2  ASP  35          2HB       ASP  35  -5.279  -5.968  -8.418
  275    HB3  ASP  35          1HB       ASP  35  -5.418  -7.592  -7.744
  276    H    SER  36           H        SER  36  -4.456  -8.188  -5.940
  277    HA   SER  36           HA       SER  36  -2.418  -7.393  -4.162
  278    HB2  SER  36          2HB       SER  36  -3.528  -9.769  -4.656
  279    HB3  SER  36          1HB       SER  36  -2.145  -9.948  -5.741
  280    H    ALA  37           H        ALA  37  -2.526  -7.525  -7.660
  281    HA   ALA  37           HA       ALA  37   0.168  -7.713  -8.368
  282    HB1  ALA  37          1HB       ALA  37  -0.483  -6.666 -10.503
  283    HB2  ALA  37          2HB       ALA  37  -2.016  -6.153  -9.788
  284    HB3  ALA  37          3HB       ALA  37  -1.669  -7.871  -9.992
  285    H    ALA  38           H        ALA  38  -1.675  -4.876  -7.299
  286    HA   ALA  38           HA       ALA  38   0.333  -2.910  -7.965
  287    HB1  ALA  38          1HB       ALA  38  -2.048  -2.290  -7.874
  288    HB2  ALA  38          2HB       ALA  38  -1.110  -1.326  -6.735
  289    HB3  ALA  38          3HB       ALA  38  -2.092  -2.673  -6.154
  290    H    ILE  39           H        ILE  39  -0.243  -5.016  -5.269
  291    HA   ILE  39           HA       ILE  39   0.635  -3.440  -3.113
  292    HB   ILE  39           HB       ILE  39   0.665  -6.479  -3.373
  293   HG12  ILE  39          2HG1      ILE  39  -1.570  -5.587  -3.727
  294   HG13  ILE  39          1HG1      ILE  39  -1.521  -6.350  -2.147
  295   HG21  ILE  39          1HG2      ILE  39   2.132  -5.825  -1.506
  296   HG22  ILE  39          2HG2      ILE  39   0.655  -6.568  -0.884
  297   HG23  ILE  39          3HG2      ILE  39   0.850  -4.816  -0.824
  298   HD11  ILE  39          1HD1      ILE  39  -1.479  -3.393  -2.730
  299   HD12  ILE  39          2HD1      ILE  39  -1.332  -4.108  -1.122
  300   HD13  ILE  39          3HD1      ILE  39  -2.808  -4.337  -2.056
  301    H    PHE  40           H        PHE  40   2.488  -5.563  -5.300
  302    HA   PHE  40           HA       PHE  40   4.960  -5.453  -3.922
  303    HB2  PHE  40          2HB       PHE  40   4.496  -7.123  -5.710
  304    HB3  PHE  40          1HB       PHE  40   4.487  -5.839  -6.921
  305    HD1  PHE  40           HD1      PHE  40   6.641  -7.599  -4.425
  306    HD2  PHE  40           HD2      PHE  40   6.574  -5.078  -7.891
  307    HE1  PHE  40           HE1      PHE  40   9.081  -7.804  -4.636
  308    HE2  PHE  40           HE2      PHE  40   9.013  -5.299  -8.091
  309    HZ   PHE  40           HZ       PHE  40  10.267  -6.656  -6.465
  310    H    ASP  41           H        ASP  41   3.409  -3.183  -6.073
  311    HA   ASP  41           HA       ASP  41   5.703  -1.481  -6.509
  312    HB2  ASP  41          2HB       ASP  41   3.875  -1.645  -8.170
  313    HB3  ASP  41          1HB       ASP  41   2.723  -1.038  -6.985
  314    H    LEU  42           H        LEU  42   2.701  -1.301  -4.618
  315    HA   LEU  42           HA       LEU  42   2.966   1.189  -3.390
  316    HB2  LEU  42          2HB       LEU  42   1.587  -1.329  -2.381
  317    HB3  LEU  42          1HB       LEU  42   1.343   0.266  -1.681
  318    HG   LEU  42           HG       LEU  42   0.584  -0.554  -4.519
  319   HD11  LEU  42          1HD1      LEU  42  -1.226  -0.047  -2.138
  320   HD12  LEU  42          2HD1      LEU  42  -0.863  -1.615  -2.863
  321   HD13  LEU  42          3HD1      LEU  42  -1.741  -0.403  -3.792
  322   HD21  LEU  42          1HD2      LEU  42  -0.554   1.634  -4.668
  323   HD22  LEU  42          2HD2      LEU  42   1.187   1.804  -4.473
  324   HD23  LEU  42          3HD2      LEU  42   0.118   2.092  -3.099
  325    H    VAL  43           H        VAL  43   4.038  -2.004  -2.332
  326    HA   VAL  43           HA       VAL  43   4.850  -1.263   0.269
  327    HB   VAL  43           HB       VAL  43   4.325  -3.617  -0.411
  328   HG11  VAL  43          1HG1      VAL  43   6.002  -5.055  -1.480
  329   HG12  VAL  43          2HG1      VAL  43   7.051  -3.660  -1.754
  330   HG13  VAL  43          3HG1      VAL  43   5.481  -3.758  -2.556
  331   HG21  VAL  43          1HG2      VAL  43   7.040  -3.284   0.896
  332   HG22  VAL  43          2HG2      VAL  43   5.992  -4.694   1.036
  333   HG23  VAL  43          3HG2      VAL  43   5.477  -3.144   1.701
  334    H    ASP  44           H        ASP  44   6.603  -1.494  -2.839
  335    HA   ASP  44           HA       ASP  44   9.242  -1.270  -1.911
  336    HB2  ASP  44          2HB       ASP  44   8.577  -1.791  -4.290
  337    HB3  ASP  44          1HB       ASP  44   8.111  -0.121  -4.509
  338    H    PHE  45           H        PHE  45   6.831   1.151  -2.728
  339    HA   PHE  45           HA       PHE  45   8.416   3.436  -2.489
  340    HB2  PHE  45          2HB       PHE  45   6.070   3.184  -3.534
  341    HB3  PHE  45          1HB       PHE  45   5.431   3.296  -1.904
  342    HD1  PHE  45           HD1      PHE  45   6.549   5.144  -4.787
  343    HD2  PHE  45           HD2      PHE  45   5.931   5.474  -0.566
  344    HE1  PHE  45           HE1      PHE  45   6.502   7.598  -4.977
  345    HE2  PHE  45           HE2      PHE  45   5.892   7.922  -0.769
  346    HZ   PHE  45           HZ       PHE  45   6.174   8.988  -2.971
  347    H    LEU  46           H        LEU  46   6.384   1.640  -0.141
  348    HA   LEU  46           HA       LEU  46   6.817   3.305   2.117
  349    HB2  LEU  46          2HB       LEU  46   6.140   0.337   2.032
  350    HB3  LEU  46          1HB       LEU  46   6.059   1.338   3.472
  351    HG   LEU  46           HG       LEU  46   4.303   1.593   0.997
  352   HD11  LEU  46          1HD1      LEU  46   2.459   0.911   2.461
  353   HD12  LEU  46          2HD1      LEU  46   3.579   0.703   3.809
  354   HD13  LEU  46          3HD1      LEU  46   3.707  -0.331   2.383
  355   HD21  LEU  46          1HD2      LEU  46   4.256   3.294   3.518
  356   HD22  LEU  46          2HD2      LEU  46   3.059   3.343   2.221
  357   HD23  LEU  46          3HD2      LEU  46   4.720   3.825   1.899
  358    H    ARG  47           H        ARG  47   8.791   0.757   0.661
  359    HA   ARG  47           HA       ARG  47  10.473   0.258   2.958
  360    HB2  ARG  47          2HB       ARG  47  11.347  -0.226   0.063
  361    HB3  ARG  47          1HB       ARG  47  11.969  -0.996   1.517
  362    HG2  ARG  47          2HG       ARG  47   9.570  -1.651  -0.121
  363    HG3  ARG  47          1HG       ARG  47  10.713  -2.720   0.690
  364    HD2  ARG  47          2HD       ARG  47   8.436  -1.179   1.956
  365    HD3  ARG  47          1HD       ARG  47   8.503  -2.911   1.670
  366    HE   ARG  47           HE       ARG  47  10.623  -2.499   3.282
  367   HH11  ARG  47          1HH1      ARG  47   7.250  -1.494   3.577
  368   HH12  ARG  47          2HH1      ARG  47   7.271  -1.558   5.308
  369   HH21  ARG  47          1HH2      ARG  47  10.573  -2.710   5.509
  370   HH22  ARG  47          2HH2      ARG  47   9.156  -2.250   6.385
  371    H    GLN  48           H        GLN  48  10.538   2.278   0.157
  372    HA   GLN  48           HA       GLN  48  13.171   3.280   0.322
  373    HB2  GLN  48          2HB       GLN  48  11.740   3.194  -1.752
  374    HB3  GLN  48          1HB       GLN  48  10.715   4.449  -1.056
  375    HG2  GLN  48          2HG       GLN  48  12.649   6.007  -1.042
  376    HG3  GLN  48          1HG       GLN  48  13.643   4.749  -1.772
  377   HE21  GLN  48          1HE2      GLN  48  10.270   5.419  -2.649
  378   HE22  GLN  48          2HE2      GLN  48  10.632   5.943  -4.255
  379    H    GLU  49           H        GLU  49  10.002   4.470   1.423
  380    HA   GLU  49           HA       GLU  49  10.960   6.981   2.417
  381    HB2  GLU  49          2HB       GLU  49   8.320   5.550   2.933
  382    HB3  GLU  49          1HB       GLU  49   8.673   7.206   3.427
  383    HG2  GLU  49          2HG       GLU  49   8.264   6.113   0.642
  384    HG3  GLU  49          1HG       GLU  49   7.419   7.437   1.440
  385    H    SER  50           H        SER  50   9.968   3.940   3.978
  386    HA   SER  50           HA       SER  50  10.610   4.873   6.644
  387    HB2  SER  50          2HB       SER  50   9.923   2.055   5.706
  388    HB3  SER  50          1HB       SER  50   9.918   2.633   7.371
  389    HG   SER  50           HG       SER  50   8.183   3.354   5.256
  390    H    LYS  51           H        LYS  51  12.508   3.773   4.114
  391    HA   LYS  51           HA       LYS  51  14.677   3.254   3.834
  392    HB2  LYS  51          2HB       LYS  51  15.002   4.096   6.746
  393    HB3  LYS  51          1HB       LYS  51  16.291   3.990   5.556
  394    HG2  LYS  51          2HG       LYS  51  13.965   5.945   5.501
  395    HG3  LYS  51          1HG       LYS  51  15.629   6.318   5.956
  396    HD2  LYS  51          2HD       LYS  51  16.388   5.807   3.665
  397    HD3  LYS  51          1HD       LYS  51  14.740   5.369   3.202
  398    HE2  LYS  51          2HE       LYS  51  15.240   7.614   2.404
  399    HE3  LYS  51          1HE       LYS  51  14.022   7.715   3.677
  400    HZ1  LYS  51          1HZ       LYS  51  15.713   8.381   5.227
  401    HZ2  LYS  51          2HZ       LYS  51  15.784   9.395   3.879
  402    HZ3  LYS  51          3HZ       LYS  51  16.930   8.174   4.073
  403    H    VAL  52           H        VAL  52  12.851   1.114   4.744
  404    HA   VAL  52           HA       VAL  52  14.753  -0.766   5.990
  405    HB   VAL  52           HB       VAL  52  12.875  -1.670   7.404
  406   HG11  VAL  52          1HG1      VAL  52  13.037   0.011   9.195
  407   HG12  VAL  52          2HG1      VAL  52  13.650   1.191   8.036
  408   HG13  VAL  52          3HG1      VAL  52  14.602  -0.245   8.420
  409   HG21  VAL  52          1HG2      VAL  52  11.416   0.879   6.675
  410   HG22  VAL  52          2HG2      VAL  52  10.880  -0.311   7.862
  411   HG23  VAL  52          3HG2      VAL  52  10.966  -0.746   6.155
  412    H    SER  53           H        SER  53  14.346  -2.926   5.602
  413    HA   SER  53           HA       SER  53  12.923  -3.558   3.127
  414    HB2  SER  53          2HB       SER  53  14.755  -5.277   4.857
  415    HB3  SER  53          1HB       SER  53  14.138  -5.701   3.258
  416    HG   SER  53           HG       SER  53  16.032  -3.745   3.972
  417    H    ILE  54           H        ILE  54  11.625  -5.532   3.035
  418    HA   ILE  54           HA       ILE  54  10.146  -6.228   5.493
  419    HB   ILE  54           HB       ILE  54   8.872  -4.519   4.254
  420   HG12  ILE  54          2HG1      ILE  54   7.488  -7.229   4.012
  421   HG13  ILE  54          1HG1      ILE  54   7.645  -6.326   5.511
  422   HG21  ILE  54          1HG2      ILE  54   7.968  -4.964   2.004
  423   HG22  ILE  54          2HG2      ILE  54   8.884  -6.466   1.929
  424   HG23  ILE  54          3HG2      ILE  54   9.731  -4.919   2.004
  425   HD11  ILE  54          1HD1      ILE  54   6.138  -5.426   3.063
  426   HD12  ILE  54          2HD1      ILE  54   6.271  -4.534   4.583
  427   HD13  ILE  54          3HD1      ILE  54   5.445  -6.092   4.539
  428    H    GLY  55           H        GLY  55   9.329  -8.347   5.561
  429    HA2  GLY  55          2HA       GLY  55  10.360 -10.358   3.774
  430    HA3  GLY  55          1HA       GLY  55   9.226 -10.604   5.098
  431    H    MET  56           H        MET  56   9.235 -11.472   2.136
  432    HA   MET  56           HA       MET  56   7.098 -10.088   0.832
  433    HB2  MET  56          2HB       MET  56   8.431 -12.753   0.311
  434    HB3  MET  56          1HB       MET  56   7.086 -12.189  -0.670
  435    HG2  MET  56          2HG       MET  56   8.434 -10.145  -1.240
  436    HG3  MET  56          1HG       MET  56   9.800 -10.871  -0.385
  437    HE1  MET  56          1HE       MET  56   7.091 -12.742  -2.543
  438    HE2  MET  56          2HE       MET  56   7.828 -12.649  -4.141
  439    HE3  MET  56          3HE       MET  56   7.280 -11.172  -3.336
  440    H    GLN  57           H        GLN  57   7.138 -12.549   3.233
  441    HA   GLN  57           HA       GLN  57   4.484 -13.527   2.984
  442    HB2  GLN  57          2HB       GLN  57   6.186 -14.659   4.336
  443    HB3  GLN  57          1HB       GLN  57   6.330 -13.261   5.396
  444    HG2  GLN  57          2HG       GLN  57   4.127 -13.636   6.309
  445    HG3  GLN  57          1HG       GLN  57   3.784 -14.885   5.113
  446   HE21  GLN  57          1HE2      GLN  57   4.796 -16.907   5.307
  447   HE22  GLN  57          2HE2      GLN  57   5.482 -17.439   6.804
  448    H    GLU  58           H        GLU  58   5.935 -10.723   4.548
  449    HA   GLU  58           HA       GLU  58   3.555  -9.796   5.904
  450    HB2  GLU  58          2HB       GLU  58   6.179  -8.341   5.347
  451    HB3  GLU  58          1HB       GLU  58   4.946  -7.839   6.497
  452    HG2  GLU  58          2HG       GLU  58   6.647 -10.343   6.680
  453    HG3  GLU  58          1HG       GLU  58   6.879  -8.867   7.615
  454    H    ILE  59           H        ILE  59   5.077  -9.364   2.798
  455    HA   ILE  59           HA       ILE  59   3.510  -7.083   1.969
  456    HB   ILE  59           HB       ILE  59   4.969  -9.014   0.126
  457   HG12  ILE  59          2HG1      ILE  59   6.147  -6.517   1.425
  458   HG13  ILE  59          1HG1      ILE  59   6.611  -8.179   1.787
  459   HG21  ILE  59          1HG2      ILE  59   5.022  -7.115  -1.420
  460   HG22  ILE  59          2HG2      ILE  59   4.236  -6.079  -0.215
  461   HG23  ILE  59          3HG2      ILE  59   3.363  -7.446  -0.917
  462   HD11  ILE  59          1HD1      ILE  59   6.946  -6.781  -0.865
  463   HD12  ILE  59          2HD1      ILE  59   7.394  -8.455  -0.519
  464   HD13  ILE  59          3HD1      ILE  59   8.217  -7.136   0.308
  465    H    HIS  60           H        HIS  60   1.392  -7.988   2.565
  466    HA   HIS  60           HA       HIS  60   0.219  -9.496   0.329
  467    HB2  HIS  60          2HB       HIS  60   0.668 -11.032   2.364
  468    HB3  HIS  60          1HB       HIS  60  -0.582 -10.116   3.188
  469    HD1  HIS  60           HD1      HIS  60  -0.264 -12.040  -0.099
  470    HD2  HIS  60           HD2      HIS  60  -3.055 -11.225   2.879
  471    HE1  HIS  60           HE1      HIS  60  -2.316 -13.355  -0.717
  472    HE2  HIS  60           HE2      HIS  60  -4.040 -12.665   0.985
  473    HA   PRO  61           HA       PRO  61  -2.454  -6.029   0.229
  474    HB2  PRO  61          2HB       PRO  61  -4.795  -7.196  -0.768
  475    HB3  PRO  61          1HB       PRO  61  -3.372  -6.801  -1.747
  476    HG2  PRO  61          2HG       PRO  61  -4.103  -9.413  -0.459
  477    HG3  PRO  61          1HG       PRO  61  -3.580  -9.094  -2.137
  478    HD2  PRO  61          2HD       PRO  61  -1.841 -10.005  -0.382
  479    HD3  PRO  61          1HD       PRO  61  -1.335  -8.698  -1.464
  480    H    ALA  62           H        ALA  62  -3.571  -8.730   2.180
  481    HA   ALA  62           HA       ALA  62  -5.838  -7.449   3.365
  482    HB1  ALA  62          1HB       ALA  62  -5.740  -9.248   5.059
  483    HB2  ALA  62          2HB       ALA  62  -4.155  -9.729   4.458
  484    HB3  ALA  62          3HB       ALA  62  -5.570  -9.898   3.425
  485    H    ASN  63           H        ASN  63  -2.387  -7.308   3.985
  486    HA   ASN  63           HA       ASN  63  -2.627  -5.711   6.413
  487    HB2  ASN  63          2HB       ASN  63  -0.212  -6.399   4.672
  488    HB3  ASN  63          1HB       ASN  63  -0.114  -5.452   6.155
  489   HD21  ASN  63          1HD2      ASN  63   1.200  -7.967   5.567
  490   HD22  ASN  63          2HD2      ASN  63   0.662  -9.095   6.759
  491    H    PHE  64           H        PHE  64  -2.358  -5.182   2.957
  492    HA   PHE  64           HA       PHE  64  -1.865  -2.283   3.274
  493    HB2  PHE  64          2HB       PHE  64  -1.801  -4.094   0.815
  494    HB3  PHE  64          1HB       PHE  64  -1.543  -2.354   0.764
  495    HD1  PHE  64           HD1      PHE  64  -0.186  -5.504   2.218
  496    HD2  PHE  64           HD2      PHE  64   0.632  -1.459   1.124
  497    HE1  PHE  64           HE1      PHE  64   2.192  -5.883   2.636
  498    HE2  PHE  64           HE2      PHE  64   3.027  -1.841   1.544
  499    HZ   PHE  64           HZ       PHE  64   3.799  -4.056   2.302
  500    H    ALA  65           H        ALA  65  -4.477  -3.739   3.823
  501    HA   ALA  65           HA       ALA  65  -6.344  -3.076   1.746
  502    HB1  ALA  65          1HB       ALA  65  -6.692  -4.985   3.242
  503    HB2  ALA  65          2HB       ALA  65  -8.051  -3.862   3.335
  504    HB3  ALA  65          3HB       ALA  65  -6.842  -3.896   4.624
  505    H    THR  66           H        THR  66  -4.951  -1.281   4.269
  506    HA   THR  66           HA       THR  66  -6.375   1.141   3.565
  507    HB   THR  66           HB       THR  66  -6.658   1.689   6.124
  508    HG1  THR  66           HG1      THR  66  -7.176  -1.005   6.570
  509   HG21  THR  66          1HG2      THR  66  -8.630   1.457   4.654
  510   HG22  THR  66          2HG2      THR  66  -8.940   0.772   6.251
  511   HG23  THR  66          3HG2      THR  66  -8.603  -0.294   4.885
  512    H    VAL  67           H        VAL  67  -5.231   3.074   4.594
  513    HA   VAL  67           HA       VAL  67  -2.395   2.796   4.461
  514    HB   VAL  67           HB       VAL  67  -3.557   4.967   3.938
  515   HG11  VAL  67          1HG1      VAL  67  -5.118   5.146   5.828
  516   HG12  VAL  67          2HG1      VAL  67  -4.101   6.582   5.719
  517   HG13  VAL  67          3HG1      VAL  67  -3.767   5.361   6.949
  518   HG21  VAL  67          1HG2      VAL  67  -1.115   4.891   4.212
  519   HG22  VAL  67          2HG2      VAL  67  -1.280   5.193   5.944
  520   HG23  VAL  67          3HG2      VAL  67  -1.757   6.434   4.781
  521    H    GLN  68           H        GLN  68  -4.654   3.037   7.198
  522    HA   GLN  68           HA       GLN  68  -2.650   3.283   9.211
  523    HB2  GLN  68          2HB       GLN  68  -5.597   2.545   9.329
  524    HB3  GLN  68          1HB       GLN  68  -4.597   2.607  10.778
  525    HG2  GLN  68          2HG       GLN  68  -5.040   4.935   8.884
  526    HG3  GLN  68          1HG       GLN  68  -5.918   4.686  10.394
  527   HE21  GLN  68          1HE2      GLN  68  -4.152   6.909   9.549
  528   HE22  GLN  68          2HE2      GLN  68  -2.937   7.022  10.773
  529    H    SER  69           H        SER  69  -4.020   0.526   7.535
  530    HA   SER  69           HA       SER  69  -2.991  -1.405   9.432
  531    HB2  SER  69          2HB       SER  69  -5.038  -1.843   8.044
  532    HB3  SER  69          1HB       SER  69  -4.016  -1.891   6.603
  533    HG   SER  69           HG       SER  69  -4.158  -3.971   7.239
  534    H    MET  70           H        MET  70  -2.008  -0.141   6.213
  535    HA   MET  70           HA       MET  70   0.234  -1.920   5.901
  536    HB2  MET  70          2HB       MET  70   0.755  -0.764   3.871
  537    HB3  MET  70          1HB       MET  70  -0.995  -0.845   3.955
  538    HG2  MET  70          2HG       MET  70  -1.079   1.506   4.646
  539    HG3  MET  70          1HG       MET  70   0.680   1.590   4.613
  540    HE1  MET  70          1HE       MET  70  -1.961   1.070   0.840
  541    HE2  MET  70          2HE       MET  70  -2.607   1.251   2.475
  542    HE3  MET  70          3HE       MET  70  -1.763  -0.228   2.013
  543    H    VAL  71           H        VAL  71  -0.207   1.330   7.169
  544    HA   VAL  71           HA       VAL  71   2.564   2.048   7.338
  545    HB   VAL  71           HB       VAL  71   0.350   3.583   7.409
  546   HG11  VAL  71          1HG1      VAL  71   0.924   3.406  10.370
  547   HG12  VAL  71          2HG1      VAL  71  -0.511   2.774   9.566
  548   HG13  VAL  71          3HG1      VAL  71  -0.210   4.513   9.590
  549   HG21  VAL  71          1HG2      VAL  71   2.606   4.463   7.086
  550   HG22  VAL  71          2HG2      VAL  71   2.932   4.344   8.816
  551   HG23  VAL  71          3HG2      VAL  71   1.724   5.487   8.225
  552    H    ALA  72           H        ALA  72   0.194   0.545   9.421
  553    HA   ALA  72           HA       ALA  72   1.785   0.591  11.823
  554    HB1  ALA  72          1HB       ALA  72  -0.039  -0.713  12.805
  555    HB2  ALA  72          2HB       ALA  72  -0.755  -0.941  11.207
  556    HB3  ALA  72          3HB       ALA  72  -0.672   0.673  11.909
  557    H    LEU  73           H        LEU  73   1.113  -1.712   9.217
  558    HA   LEU  73           HA       LEU  73   2.357  -4.026  10.186
  559    HB2  LEU  73          2HB       LEU  73   1.126  -4.321   8.194
  560    HB3  LEU  73          1HB       LEU  73   1.706  -2.819   7.500
  561    HG   LEU  73           HG       LEU  73   3.965  -3.958   7.226
  562   HD11  LEU  73          1HD1      LEU  73   3.680  -5.840   8.725
  563   HD12  LEU  73          2HD1      LEU  73   4.019  -6.412   7.095
  564   HD13  LEU  73          3HD1      LEU  73   2.372  -6.490   7.730
  565   HD21  LEU  73          1HD2      LEU  73   3.358  -4.957   5.088
  566   HD22  LEU  73          2HD2      LEU  73   2.464  -3.462   5.365
  567   HD23  LEU  73          3HD2      LEU  73   1.661  -5.017   5.573
  568    H    VAL  74           H        VAL  74   3.560  -1.216   8.366
  569    HA   VAL  74           HA       VAL  74   6.293  -1.880   8.311
  570    HB   VAL  74           HB       VAL  74   5.000   0.887   8.260
  571   HG11  VAL  74          1HG1      VAL  74   7.343   1.108   8.985
  572   HG12  VAL  74          2HG1      VAL  74   7.159   1.728   7.346
  573   HG13  VAL  74          3HG1      VAL  74   7.887   0.142   7.611
  574   HG21  VAL  74          1HG2      VAL  74   4.350  -0.557   6.354
  575   HG22  VAL  74          2HG2      VAL  74   6.046  -0.834   5.967
  576   HG23  VAL  74          3HG2      VAL  74   5.358   0.785   5.807
  577    H    GLN  75           H        GLN  75   4.344  -0.095  10.719
  578    HA   GLN  75           HA       GLN  75   6.487   0.713  12.410
  579    HB2  GLN  75          2HB       GLN  75   3.527   0.317  13.012
  580    HB3  GLN  75          1HB       GLN  75   4.658   0.978  14.189
  581    HG2  GLN  75          2HG       GLN  75   5.137   2.869  12.664
  582    HG3  GLN  75          1HG       GLN  75   4.006   2.204  11.490
  583   HE21  GLN  75          1HE2      GLN  75   1.785   2.410  11.864
  584   HE22  GLN  75          2HE2      GLN  75   1.131   3.436  13.089
  585    H    ARG  76           H        ARG  76   4.808  -2.352  12.142
  586    HA   ARG  76           HA       ARG  76   5.649  -3.443  14.684
  587    HB2  ARG  76          2HB       ARG  76   4.608  -4.897  12.210
  588    HB3  ARG  76          1HB       ARG  76   4.795  -5.608  13.809
  589    HG2  ARG  76          2HG       ARG  76   2.819  -3.476  12.961
  590    HG3  ARG  76          1HG       ARG  76   2.465  -5.120  13.484
  591    HD2  ARG  76          2HD       ARG  76   3.635  -2.919  15.225
  592    HD3  ARG  76          1HD       ARG  76   1.957  -3.467  15.253
  593    HE   ARG  76           HE       ARG  76   3.164  -5.742  15.768
  594   HH11  ARG  76          1HH1      ARG  76   3.933  -2.598  17.163
  595   HH12  ARG  76          2HH1      ARG  76   4.516  -3.285  18.649
  596   HH21  ARG  76          1HH2      ARG  76   3.899  -6.606  17.701
  597   HH22  ARG  76          2HH2      ARG  76   4.499  -5.557  18.955
  598    H    LEU  77           H        LEU  77   6.735  -3.698  11.291
  599    HA   LEU  77           HA       LEU  77   8.932  -5.469  11.939
  600    HB2  LEU  77          2HB       LEU  77   9.548  -5.299   9.547
  601    HB3  LEU  77          1HB       LEU  77   7.880  -5.764   9.803
  602    HG   LEU  77           HG       LEU  77   7.281  -3.304   9.345
  603   HD11  LEU  77          1HD1      LEU  77  10.103  -3.193   8.248
  604   HD12  LEU  77          2HD1      LEU  77   9.393  -2.194   9.529
  605   HD13  LEU  77          3HD1      LEU  77   8.818  -2.038   7.870
  606   HD21  LEU  77          1HD2      LEU  77   8.341  -5.005   7.080
  607   HD22  LEU  77          2HD2      LEU  77   7.228  -3.641   6.920
  608   HD23  LEU  77          3HD2      LEU  77   6.732  -5.080   7.806
  609    H    LYS  78           H        LYS  78   8.504  -2.041  11.938
  610    HA   LYS  78           HA       LYS  78  11.206  -1.166  11.683
  611    HB2  LYS  78          2HB       LYS  78   8.804   0.021  13.117
  612    HB3  LYS  78          1HB       LYS  78  10.360   0.834  13.080
  613    HG2  LYS  78          2HG       LYS  78   8.715   0.117  10.629
  614    HG3  LYS  78          1HG       LYS  78   8.709   1.698  11.399
  615    HD2  LYS  78          2HD       LYS  78  11.214   0.410  10.247
  616    HD3  LYS  78          1HD       LYS  78  10.156   1.468   9.313
  617    HE2  LYS  78          2HE       LYS  78  10.568   3.290  10.952
  618    HE3  LYS  78          1HE       LYS  78  11.675   2.232  11.831
  619    HZ1  LYS  78          1HZ       LYS  78  12.816   3.746  10.340
  620    HZ2  LYS  78          2HZ       LYS  78  12.002   3.093   9.014
  621    HZ3  LYS  78          3HZ       LYS  78  13.080   2.140   9.899
  622    H    ALA  79           H        ALA  79   9.309  -2.499  14.308
  623    HA   ALA  79           HA       ALA  79  11.159  -2.105  16.427
  624    HB1  ALA  79          1HB       ALA  79   8.985  -4.215  16.121
  625    HB2  ALA  79          2HB       ALA  79   8.776  -2.614  16.832
  626    HB3  ALA  79          3HB       ALA  79   9.809  -3.801  17.629
  627    H    HIS  80           H        HIS  80  10.973  -4.355  13.792
  628    HA   HIS  80           HA       HIS  80  13.056  -6.149  14.804
  629    HB2  HIS  80          2HB       HIS  80  11.606  -6.065  12.105
  630    HB3  HIS  80          1HB       HIS  80  12.762  -7.300  12.593
  631    HD1  HIS  80           HD1      HIS  80   9.447  -5.918  13.889
  632    HD2  HIS  80           HD2      HIS  80  11.522  -9.504  13.617
  633    HE1  HIS  80           HE1      HIS  80   7.893  -7.662  14.799
  634    HE2  HIS  80           HE2      HIS  80   9.235  -9.790  14.774
  635    HA   PRO  81           HA       PRO  81  16.174  -3.169  13.199
  636    HB2  PRO  81          2HB       PRO  81  18.366  -4.907  13.411
  637    HB3  PRO  81          1HB       PRO  81  17.703  -3.971  14.764
  638    HG2  PRO  81          2HG       PRO  81  17.124  -6.826  14.005
  639    HG3  PRO  81          1HG       PRO  81  17.507  -6.150  15.607
  640    HD2  PRO  81          2HD       PRO  81  14.976  -6.668  14.994
  641    HD3  PRO  81          1HD       PRO  81  15.368  -5.152  15.839
  642    H    GLU  82           H        GLU  82  15.889  -6.482  12.055
  643    HA   GLU  82           HA       GLU  82  16.109  -5.708   9.264
  644    HB2  GLU  82          2HB       GLU  82  18.483  -6.171  10.030
  645    HB3  GLU  82          1HB       GLU  82  17.999  -7.794  10.475
  646    HG2  GLU  82          2HG       GLU  82  17.846  -6.734   7.636
  647    HG3  GLU  82          1HG       GLU  82  19.262  -7.550   8.283
  648    H    GLN  83           H        GLN  83  14.564  -6.808   8.228
  649    HA   GLN  83           HA       GLN  83  14.193  -9.612   8.535
  650    HB2  GLN  83          2HB       GLN  83  11.816  -9.654   9.104
  651    HB3  GLN  83          1HB       GLN  83  12.734  -8.875  10.376
  652    HG2  GLN  83          2HG       GLN  83  11.118  -7.289  10.328
  653    HG3  GLN  83          1HG       GLN  83  11.944  -6.692   8.898
  654   HE21  GLN  83          1HE2      GLN  83   9.175  -8.487  10.076
  655   HE22  GLN  83          2HE2      GLN  83   8.277  -8.434   8.600
  656    H    GLY  84           H        GLY  84  13.636 -10.463   6.583
  657    HA2  GLY  84          2HA       GLY  84  11.995  -9.520   4.620
  658    HA3  GLY  84          1HA       GLY  84  13.517  -8.697   4.318
  659    H    GLY  85           H        GLY  85  13.434  -9.758   2.311
  660    HA2  GLY  85          2HA       GLY  85  14.878 -12.341   2.349
  661    HA3  GLY  85          1HA       GLY  85  13.506 -12.113   1.260
  662    H    ALA  86           H        ALA  86  16.534 -12.412   0.817
  663    HA   ALA  86           HA       ALA  86  17.424  -9.859  -0.207
  664    HB1  ALA  86          1HB       ALA  86  18.722 -12.593  -0.451
  665    HB2  ALA  86          2HB       ALA  86  19.033 -11.413   0.824
  666    HB3  ALA  86          3HB       ALA  86  19.479 -11.049  -0.845
  667    H    ALA  87           H        ALA  87  15.702  -9.480  -1.688
  668    HA   ALA  87           HA       ALA  87  15.389 -11.027  -4.116
  669    HB1  ALA  87          1HB       ALA  87  13.844  -9.223  -4.807
  670    HB2  ALA  87          2HB       ALA  87  14.326  -8.261  -3.410
  671    HB3  ALA  87          3HB       ALA  87  13.463  -9.781  -3.173
  672    H    LEU  88           H        LEU  88  17.489 -11.095  -4.889
  673    HA   LEU  88           HA       LEU  88  18.345  -8.890  -6.532
  674    HB2  LEU  88          2HB       LEU  88  20.755  -9.029  -5.600
  675    HB3  LEU  88          1HB       LEU  88  19.563  -8.088  -4.727
  676    HG   LEU  88           HG       LEU  88  19.289  -9.986  -3.101
  677   HD11  LEU  88          1HD1      LEU  88  21.662 -11.239  -4.500
  678   HD12  LEU  88          2HD1      LEU  88  20.005 -11.843  -4.498
  679   HD13  LEU  88          3HD1      LEU  88  20.918 -11.792  -2.991
  680   HD21  LEU  88          1HD2      LEU  88  22.104  -8.885  -3.318
  681   HD22  LEU  88          2HD2      LEU  88  21.355  -9.567  -1.872
  682   HD23  LEU  88          3HD2      LEU  88  20.719  -8.083  -2.573
  683    H    GLU  89           H        GLU  89  20.867  -9.867  -7.254
  684    HA   GLU  89           HA       GLU  89  20.278 -11.796  -9.183
  685    HB2  GLU  89          2HB       GLU  89  22.805 -11.943  -9.459
  686    HB3  GLU  89          1HB       GLU  89  22.119 -10.326  -9.581
  687    HG2  GLU  89          2HG       GLU  89  22.872  -9.773  -7.334
  688    HG3  GLU  89          1HG       GLU  89  23.445 -11.421  -7.079
  689   H282  PNS 101          3H28      PNS 136   0.920  -9.382  -2.723
  690   H281  PNS 101          2H28      PNS 136   0.892  -8.741  -4.362
  691   H303  PNS 101          3H51      PNS 136   4.220 -11.002  -2.957
  692   H302  PNS 101          2H51      PNS 136   2.893 -10.591  -1.876
  693   H301  PNS 101          1H51      PNS 136   2.652 -11.789  -3.162
  694   H313  PNS 101          3H52      PNS 136   3.063  -7.623  -4.138
  695   H312  PNS 101          2H52      PNS 136   4.455  -8.508  -3.516
  696   H311  PNS 101          1H52      PNS 136   3.090  -8.149  -2.454
  697    H32  PNS 101           H32      PNS 136   2.666 -10.968  -5.625
  698    H33  PNS 101           H33      PNS 136   1.665  -8.947  -6.102
  699    H36  PNS 101           H36      PNS 136   4.335 -10.205  -7.488
  700   H372  PNS 101          3H37      PNS 136   6.396 -10.549  -8.375
  701   H371  PNS 101          2H37      PNS 136   6.959  -9.476  -7.095
  702   H382  PNS 101          3H38      PNS 136   8.198 -11.645  -7.154
  703   H381  PNS 101          2H38      PNS 136   7.409 -11.323  -5.616
  704    H41  PNS 101           H41      PNS 136   5.602 -12.440  -5.048
  705   H422  PNS 101          3H42      PNS 136   5.411 -15.218  -5.739
  706   H421  PNS 101          2H42      PNS 136   3.994 -14.264  -6.181
  707   H431  PNS 101          2H43      PNS 136   5.168 -14.454  -3.381
  708   H432  PNS 101          3H43      PNS 136   3.728 -13.531  -3.848
  709    H44  PNS 101           H44      PNS 136   2.899 -15.908  -2.568
  Start of MODEL   19
    1    H1   MET   1          1H        MET   1   3.419  16.437   1.042
    2    H2   MET   1          2H        MET   1   4.426  15.380   1.896
    3    H3   MET   1          3H        MET   1   3.188  16.197   2.700
    4    HA   MET   1           HA       MET   1   2.626  13.903   2.327
    5    HB2  MET   1          2HB       MET   1   0.975  15.874   0.673
    6    HB3  MET   1          1HB       MET   1   0.401  14.308   1.237
    7    HG2  MET   1          2HG       MET   1   0.550  15.044   3.560
    8    HG3  MET   1          1HG       MET   1   1.246  16.586   3.055
    9    HE1  MET   1          1HE       MET   1  -0.084  18.416   1.624
   10    HE2  MET   1          2HE       MET   1  -1.786  18.276   1.190
   11    HE3  MET   1          3HE       MET   1  -0.591  17.247   0.402
   12    H    LEU   2           H        LEU   2   3.187  12.228   1.121
   13    HA   LEU   2           HA       LEU   2   3.242  12.419  -1.827
   14    HB2  LEU   2          2HB       LEU   2   5.130  10.886  -1.959
   15    HB3  LEU   2          1HB       LEU   2   5.578  12.322  -1.066
   16    HG   LEU   2           HG       LEU   2   5.003   9.593   0.175
   17   HD11  LEU   2          1HD1      LEU   2   7.037   9.518  -1.131
   18   HD12  LEU   2          2HD1      LEU   2   7.428   9.480   0.585
   19   HD13  LEU   2          3HD1      LEU   2   7.654  10.969  -0.336
   20   HD21  LEU   2          1HD2      LEU   2   6.119  12.084   1.513
   21   HD22  LEU   2          2HD2      LEU   2   5.916  10.494   2.261
   22   HD23  LEU   2          3HD2      LEU   2   4.504  11.414   1.754
   23    H    GLU   3           H        GLU   3   1.522  11.379   0.602
   24    HA   GLU   3           HA       GLU   3   0.904   8.657   0.046
   25    HB2  GLU   3          2HB       GLU   3  -0.933  10.790   1.251
   26    HB3  GLU   3          1HB       GLU   3  -1.157   9.050   1.359
   27    HG2  GLU   3          2HG       GLU   3  -0.345   9.669   3.484
   28    HG3  GLU   3          1HG       GLU   3   1.063   8.994   2.665
   29    H    SER   4           H        SER   4  -0.335  11.767  -1.095
   30    HA   SER   4           HA       SER   4  -2.449  10.910  -2.750
   31    HB2  SER   4          2HB       SER   4  -0.693  13.356  -3.214
   32    HB3  SER   4          1HB       SER   4  -2.395  13.157  -3.629
   33    HG   SER   4           HG       SER   4  -2.623  12.865  -1.225
   34    H    LYS   5           H        LYS   5   1.014  10.900  -3.165
   35    HA   LYS   5           HA       LYS   5   1.005  10.728  -6.049
   36    HB2  LYS   5          2HB       LYS   5   2.768  11.951  -4.654
   37    HB3  LYS   5          1HB       LYS   5   3.384  10.370  -4.182
   38    HG2  LYS   5          2HG       LYS   5   3.892   9.847  -6.537
   39    HG3  LYS   5          1HG       LYS   5   3.200  11.393  -7.038
   40    HD2  LYS   5          2HD       LYS   5   4.976  12.538  -5.624
   41    HD3  LYS   5          1HD       LYS   5   5.718  10.951  -5.390
   42    HE2  LYS   5          2HE       LYS   5   5.340  12.410  -8.034
   43    HE3  LYS   5          1HE       LYS   5   6.867  12.111  -7.199
   44    HZ1  LYS   5          1HZ       LYS   5   6.496   9.725  -7.519
   45    HZ2  LYS   5          2HZ       LYS   5   6.585  10.553  -8.985
   46    HZ3  LYS   5          3HZ       LYS   5   5.084  10.054  -8.390
   47    H    LEU   6           H        LEU   6   1.468   8.468  -3.282
   48    HA   LEU   6           HA       LEU   6   2.207   6.225  -4.922
   49    HB2  LEU   6          2HB       LEU   6   1.882   4.788  -2.967
   50    HB3  LEU   6          1HB       LEU   6   2.836   6.199  -2.586
   51    HG   LEU   6           HG       LEU   6   0.560   7.152  -1.638
   52   HD11  LEU   6          1HD1      LEU   6  -0.916   5.470  -0.621
   53   HD12  LEU   6          2HD1      LEU   6  -0.029   4.181  -1.441
   54   HD13  LEU   6          3HD1      LEU   6  -0.929   5.374  -2.380
   55   HD21  LEU   6          1HD2      LEU   6   2.153   5.060  -0.125
   56   HD22  LEU   6          2HD2      LEU   6   1.116   6.297   0.594
   57   HD23  LEU   6          3HD2      LEU   6   2.562   6.769  -0.293
   58    H    ILE   7           H        ILE   7  -0.847   7.531  -3.739
   59    HA   ILE   7           HA       ILE   7  -2.604   5.580  -4.780
   60    HB   ILE   7           HB       ILE   7  -3.019   8.592  -4.558
   61   HG12  ILE   7          2HG1      ILE   7  -4.070   6.477  -2.629
   62   HG13  ILE   7          1HG1      ILE   7  -2.514   7.261  -2.395
   63   HG21  ILE   7          1HG2      ILE   7  -4.621   7.596  -6.157
   64   HG22  ILE   7          2HG2      ILE   7  -5.451   8.117  -4.687
   65   HG23  ILE   7          3HG2      ILE   7  -5.109   6.405  -4.945
   66   HD11  ILE   7          1HD1      ILE   7  -5.191   8.653  -2.476
   67   HD12  ILE   7          2HD1      ILE   7  -3.625   9.439  -2.241
   68   HD13  ILE   7          3HD1      ILE   7  -4.230   8.297  -1.041
   69    H    ASN   8           H        ASN   8  -1.471   8.673  -6.194
   70    HA   ASN   8           HA       ASN   8  -2.682   8.529  -8.691
   71    HB2  ASN   8          2HB       ASN   8  -1.594  10.561  -7.774
   72    HB3  ASN   8          1HB       ASN   8  -0.011   9.822  -7.983
   73   HD21  ASN   8          1HD2      ASN   8   0.873   9.687 -10.078
   74   HD22  ASN   8          2HD2      ASN   8   0.201  10.543 -11.420
   75    H    HIS   9           H        HIS   9   0.296   7.090  -7.571
   76    HA   HIS   9           HA       HIS   9   1.587   6.486  -9.960
   77    HB2  HIS   9          2HB       HIS   9   2.606   6.327  -7.685
   78    HB3  HIS   9          1HB       HIS   9   1.647   4.890  -7.360
   79    HD1  HIS   9           HD1      HIS   9   4.938   5.747  -8.270
   80    HD2  HIS   9           HD2      HIS   9   2.305   2.826  -9.549
   81    HE1  HIS   9           HE1      HIS   9   6.359   4.038  -9.413
   82    HE2  HIS   9           HE2      HIS   9   4.767   2.160  -9.921
   83    H    ILE  10           H        ILE  10  -0.370   4.196  -7.973
   84    HA   ILE  10           HA       ILE  10  -0.558   2.355 -10.210
   85    HB   ILE  10           HB       ILE  10  -2.019   1.000  -8.574
   86   HG12  ILE  10          2HG1      ILE  10  -1.423   1.499  -6.105
   87   HG13  ILE  10          1HG1      ILE  10  -0.956   3.099  -6.630
   88   HG21  ILE  10          1HG2      ILE  10   0.911   1.447  -7.924
   89   HG22  ILE  10          2HG2      ILE  10   0.255   0.360  -9.148
   90   HG23  ILE  10          3HG2      ILE  10  -0.044   0.039  -7.442
   91   HD11  ILE  10          1HD1      ILE  10  -3.152   3.106  -5.654
   92   HD12  ILE  10          2HD1      ILE  10  -3.707   1.889  -6.803
   93   HD13  ILE  10          3HD1      ILE  10  -3.253   3.497  -7.371
   94    H    ALA  11           H        ALA  11  -2.584   4.818  -8.802
   95    HA   ALA  11           HA       ALA  11  -5.107   4.280  -9.822
   96    HB1  ALA  11          1HB       ALA  11  -4.636   6.203  -8.357
   97    HB2  ALA  11          2HB       ALA  11  -5.492   6.713  -9.814
   98    HB3  ALA  11          3HB       ALA  11  -3.754   6.995  -9.661
   99    H    THR  12           H        THR  12  -2.172   5.175 -11.485
  100    HA   THR  12           HA       THR  12  -3.154   6.072 -13.967
  101    HB   THR  12           HB       THR  12  -0.601   4.484 -13.454
  102    HG1  THR  12           HG1      THR  12  -0.452   6.225 -12.128
  103   HG21  THR  12          1HG2      THR  12  -1.127   4.769 -15.876
  104   HG22  THR  12          2HG2      THR  12   0.315   5.671 -15.398
  105   HG23  THR  12          3HG2      THR  12  -1.217   6.516 -15.632
  106    H    GLN  13           H        GLN  13  -2.304   2.814 -12.811
  107    HA   GLN  13           HA       GLN  13  -3.200   1.565 -15.330
  108    HB2  GLN  13          2HB       GLN  13  -1.997  -0.428 -14.569
  109    HB3  GLN  13          1HB       GLN  13  -0.947   0.981 -14.504
  110    HG2  GLN  13          2HG       GLN  13  -1.370   1.132 -12.042
  111    HG3  GLN  13          1HG       GLN  13  -2.305  -0.360 -12.142
  112   HE21  GLN  13          1HE2      GLN  13   0.122   0.172 -10.615
  113   HE22  GLN  13          2HE2      GLN  13   1.294  -0.976 -11.139
  114    H    PHE  14           H        PHE  14  -4.381   2.172 -12.223
  115    HA   PHE  14           HA       PHE  14  -6.209  -0.134 -12.193
  116    HB2  PHE  14          2HB       PHE  14  -4.868   1.477 -10.039
  117    HB3  PHE  14          1HB       PHE  14  -6.529   1.010  -9.688
  118    HD1  PHE  14           HD1      PHE  14  -5.579  -0.300  -7.736
  119    HD2  PHE  14           HD2      PHE  14  -4.605  -1.268 -11.803
  120    HE1  PHE  14           HE1      PHE  14  -4.883  -2.549  -7.070
  121    HE2  PHE  14           HE2      PHE  14  -3.921  -3.500 -11.096
  122    HZ   PHE  14           HZ       PHE  14  -4.061  -4.146  -8.736
  123    H    LEU  15           H        LEU  15  -6.144   3.372 -12.276
  124    HA   LEU  15           HA       LEU  15  -9.122   3.448 -12.404
  125    HB2  LEU  15          2HB       LEU  15  -7.359   5.581 -11.140
  126    HB3  LEU  15          1HB       LEU  15  -9.115   5.510 -11.127
  127    HG   LEU  15           HG       LEU  15  -7.253   3.616  -9.630
  128   HD11  LEU  15          1HD1      LEU  15  -8.990   5.852  -8.532
  129   HD12  LEU  15          2HD1      LEU  15  -7.235   5.888  -8.721
  130   HD13  LEU  15          3HD1      LEU  15  -7.969   4.739  -7.615
  131   HD21  LEU  15          1HD2      LEU  15  -9.289   2.771  -8.517
  132   HD22  LEU  15          2HD2      LEU  15  -9.333   2.466 -10.248
  133   HD23  LEU  15          3HD2      LEU  15 -10.303   3.773  -9.562
  134    H    ASP  16           H        ASP  16  -6.751   3.575 -14.446
  135    HA   ASP  16           HA       ASP  16  -6.565   4.372 -16.575
  136    HB2  ASP  16          2HB       ASP  16  -9.146   4.370 -16.446
  137    HB3  ASP  16          1HB       ASP  16  -9.049   6.076 -16.073
  138    H    GLY  17           H        GLY  17  -5.571   5.899 -14.101
  139    HA2  GLY  17          2HA       GLY  17  -4.053   7.672 -13.947
  140    HA3  GLY  17          1HA       GLY  17  -4.627   8.310 -15.476
  141    H    GLU  18           H        GLU  18  -7.123   7.505 -13.269
  142    HA   GLU  18           HA       GLU  18  -7.498  10.349 -12.513
  143    HB2  GLU  18          2HB       GLU  18  -9.784  10.078 -12.771
  144    HB3  GLU  18          1HB       GLU  18  -9.297   8.764 -13.840
  145    HG2  GLU  18          2HG       GLU  18  -9.607   7.171 -11.930
  146    HG3  GLU  18          1HG       GLU  18 -10.208   8.508 -10.954
  147    H    LYS  19           H        LYS  19  -7.797  10.860 -10.316
  148    HA   LYS  19           HA       LYS  19  -7.473   8.664  -8.343
  149    HB2  LYS  19          2HB       LYS  19  -7.150  11.650  -7.899
  150    HB3  LYS  19          1HB       LYS  19  -6.854  10.367  -6.722
  151    HG2  LYS  19          2HG       LYS  19  -5.114   9.475  -8.434
  152    HG3  LYS  19          1HG       LYS  19  -5.240  11.070  -9.176
  153    HD2  LYS  19          2HD       LYS  19  -4.553  10.605  -6.262
  154    HD3  LYS  19          1HD       LYS  19  -3.344  10.779  -7.529
  155    HE2  LYS  19          2HE       LYS  19  -3.516  12.913  -6.464
  156    HE3  LYS  19          1HE       LYS  19  -4.335  13.075  -8.016
  157    HZ1  LYS  19          1HZ       LYS  19  -6.442  12.897  -6.913
  158    HZ2  LYS  19          2HZ       LYS  19  -5.534  14.097  -6.158
  159    HZ3  LYS  19          3HZ       LYS  19  -5.703  12.588  -5.424
  160    H    ASP  20           H        ASP  20  -9.485   7.918  -7.988
  161    HA   ASP  20           HA       ASP  20 -11.470   9.625  -6.769
  162    HB2  ASP  20          2HB       ASP  20 -11.854  10.070  -9.209
  163    HB3  ASP  20          1HB       ASP  20 -12.141   8.351  -9.467
  164    H    GLY  21           H        GLY  21 -12.182   8.427  -5.145
  165    HA2  GLY  21          2HA       GLY  21 -13.416   6.727  -4.145
  166    HA3  GLY  21          1HA       GLY  21 -13.216   5.731  -5.579
  167    H    LEU  22           H        LEU  22 -10.191   6.755  -5.092
  168    HA   LEU  22           HA       LEU  22  -9.419   4.624  -3.181
  169    HB2  LEU  22          2HB       LEU  22  -9.028   4.076  -5.672
  170    HB3  LEU  22          1HB       LEU  22  -7.908   5.416  -5.706
  171    HG   LEU  22           HG       LEU  22  -6.418   4.271  -4.107
  172   HD11  LEU  22          1HD1      LEU  22  -6.829   1.943  -3.407
  173   HD12  LEU  22          2HD1      LEU  22  -8.427   1.997  -4.152
  174   HD13  LEU  22          3HD1      LEU  22  -8.059   3.039  -2.778
  175   HD21  LEU  22          1HD2      LEU  22  -5.672   2.430  -5.572
  176   HD22  LEU  22          2HD2      LEU  22  -6.070   3.876  -6.497
  177   HD23  LEU  22          3HD2      LEU  22  -7.196   2.515  -6.461
  178    H    ASP  23           H        ASP  23  -8.800   5.805  -1.482
  179    HA   ASP  23           HA       ASP  23  -6.696   7.848  -1.731
  180    HB2  ASP  23          2HB       ASP  23  -9.167   8.129   0.062
  181    HB3  ASP  23          1HB       ASP  23  -7.782   9.216   0.068
  182    H    SER  24           H        SER  24  -6.016   8.415   0.685
  183    HA   SER  24           HA       SER  24  -4.849   6.128   1.874
  184    HB2  SER  24          2HB       SER  24  -4.185   7.769   3.689
  185    HB3  SER  24          1HB       SER  24  -3.777   8.313   2.060
  186    HG   SER  24           HG       SER  24  -5.218   9.586   3.852
  187    H    GLN  25           H        GLN  25  -7.679   8.093   2.676
  188    HA   GLN  25           HA       GLN  25  -8.296   6.693   5.135
  189    HB2  GLN  25          2HB       GLN  25  -9.885   8.800   3.641
  190    HB3  GLN  25          1HB       GLN  25 -10.219   8.215   5.265
  191    HG2  GLN  25          2HG       GLN  25  -7.920   9.924   4.321
  192    HG3  GLN  25          1HG       GLN  25  -9.106  10.267   5.570
  193   HE21  GLN  25          1HE2      GLN  25  -8.896   9.196   7.628
  194   HE22  GLN  25          2HE2      GLN  25  -7.369   8.562   8.133
  195    H    THR  26           H        THR  26  -8.866   6.070   1.896
  196    HA   THR  26           HA       THR  26 -11.481   4.972   1.963
  197    HB   THR  26           HB       THR  26  -9.220   4.515  -0.013
  198    HG1  THR  26           HG1      THR  26 -11.509   6.154  -0.352
  199   HG21  THR  26          1HG2      THR  26 -11.016   3.803  -1.589
  200   HG22  THR  26          2HG2      THR  26 -12.193   3.886  -0.268
  201   HG23  THR  26          3HG2      THR  26 -10.884   2.706  -0.212
  202    HA   PRO  27           HA       PRO  27 -10.340   0.825   3.516
  203    HB2  PRO  27          2HB       PRO  27 -12.761  -0.354   3.210
  204    HB3  PRO  27          1HB       PRO  27 -12.460   0.828   4.509
  205    HG2  PRO  27          2HG       PRO  27 -13.839   1.239   1.870
  206    HG3  PRO  27          1HG       PRO  27 -14.300   1.841   3.472
  207    HD2  PRO  27          2HD       PRO  27 -12.977   3.369   1.629
  208    HD3  PRO  27          1HD       PRO  27 -12.833   3.625   3.377
  209    H    LEU  28           H        LEU  28  -8.987  -0.150   2.072
  210    HA   LEU  28           HA       LEU  28  -9.482  -0.250  -0.746
  211    HB2  LEU  28          2HB       LEU  28  -7.293  -1.736   0.751
  212    HB3  LEU  28          1HB       LEU  28  -7.284  -1.230  -0.932
  213    HG   LEU  28           HG       LEU  28  -7.010   0.550   1.523
  214   HD11  LEU  28          1HD1      LEU  28  -5.058  -0.049  -0.714
  215   HD12  LEU  28          2HD1      LEU  28  -4.960  -0.593   0.961
  216   HD13  LEU  28          3HD1      LEU  28  -4.804   1.118   0.587
  217   HD21  LEU  28          1HD2      LEU  28  -6.785   2.478  -0.005
  218   HD22  LEU  28          2HD2      LEU  28  -8.391   1.760  -0.074
  219   HD23  LEU  28          3HD2      LEU  28  -7.230   1.445  -1.366
  220    H    PHE  29           H        PHE  29  -9.820  -2.537   1.891
  221    HA   PHE  29           HA       PHE  29 -10.320  -4.824   0.148
  222    HB2  PHE  29          2HB       PHE  29  -9.634  -4.465   3.016
  223    HB3  PHE  29          1HB       PHE  29 -10.821  -5.736   2.745
  224    HD1  PHE  29           HD1      PHE  29  -7.963  -4.700   0.563
  225    HD2  PHE  29           HD2      PHE  29  -9.590  -7.729   3.115
  226    HE1  PHE  29           HE1      PHE  29  -6.190  -6.223  -0.098
  227    HE2  PHE  29           HE2      PHE  29  -7.793  -9.255   2.427
  228    HZ   PHE  29           HZ       PHE  29  -6.097  -8.509   0.816
  229    H    GLU  30           H        GLU  30 -12.191  -2.669   2.249
  230    HA   GLU  30           HA       GLU  30 -14.651  -4.098   2.195
  231    HB2  GLU  30          2HB       GLU  30 -14.282  -2.261   3.782
  232    HB3  GLU  30          1HB       GLU  30 -14.081  -1.119   2.464
  233    HG2  GLU  30          2HG       GLU  30 -16.241  -0.757   3.453
  234    HG3  GLU  30          1HG       GLU  30 -16.480  -1.446   1.849
  235    H    LEU  31           H        LEU  31 -13.227  -1.708  -0.003
  236    HA   LEU  31           HA       LEU  31 -15.488  -1.877  -1.871
  237    HB2  LEU  31          2HB       LEU  31 -12.930  -0.259  -2.087
  238    HB3  LEU  31          1HB       LEU  31 -14.365  -0.088  -3.091
  239    HG   LEU  31           HG       LEU  31 -14.052   0.657  -0.164
  240   HD11  LEU  31          1HD1      LEU  31 -13.151   2.277  -1.752
  241   HD12  LEU  31          2HD1      LEU  31 -14.551   2.924  -0.900
  242   HD13  LEU  31          3HD1      LEU  31 -14.713   2.374  -2.571
  243   HD21  LEU  31          1HD2      LEU  31 -16.421   1.383  -0.180
  244   HD22  LEU  31          2HD2      LEU  31 -16.261  -0.357  -0.389
  245   HD23  LEU  31          3HD2      LEU  31 -16.631   0.664  -1.781
  246    H    ASN  32           H        ASN  32 -12.346  -3.221  -1.383
  247    HA   ASN  32           HA       ASN  32 -11.082  -4.769  -2.456
  248    HB2  ASN  32          2HB       ASN  32 -13.598  -5.301  -4.111
  249    HB3  ASN  32          1HB       ASN  32 -12.185  -6.349  -4.069
  250   HD21  ASN  32          1HD2      ASN  32 -15.013  -5.286  -2.358
  251   HD22  ASN  32          2HD2      ASN  32 -14.961  -6.479  -1.113
  252    H    ILE  33           H        ILE  33 -10.659  -2.170  -3.277
  253    HA   ILE  33           HA       ILE  33 -10.731  -1.956  -6.173
  254    HB   ILE  33           HB       ILE  33  -9.312  -0.164  -4.164
  255   HG12  ILE  33          2HG1      ILE  33 -12.068   0.142  -5.450
  256   HG13  ILE  33          1HG1      ILE  33 -11.777  -0.305  -3.774
  257   HG21  ILE  33          1HG2      ILE  33  -8.397   0.103  -6.447
  258   HG22  ILE  33          2HG2      ILE  33  -9.315   1.538  -5.987
  259   HG23  ILE  33          3HG2      ILE  33 -10.025   0.354  -7.086
  260   HD11  ILE  33          1HD1      ILE  33 -12.422   2.004  -3.961
  261   HD12  ILE  33          2HD1      ILE  33 -11.084   2.326  -5.061
  262   HD13  ILE  33          3HD1      ILE  33 -10.762   1.889  -3.382
  263    H    VAL  34           H        VAL  34  -8.073  -2.281  -3.754
  264    HA   VAL  34           HA       VAL  34  -6.116  -2.486  -5.908
  265    HB   VAL  34           HB       VAL  34  -5.599  -1.142  -3.856
  266   HG11  VAL  34          1HG1      VAL  34  -5.352  -3.822  -2.434
  267   HG12  VAL  34          2HG1      VAL  34  -6.598  -2.601  -2.135
  268   HG13  VAL  34          3HG1      VAL  34  -4.910  -2.246  -1.762
  269   HG21  VAL  34          1HG2      VAL  34  -3.224  -1.878  -3.638
  270   HG22  VAL  34          2HG2      VAL  34  -3.765  -1.875  -5.319
  271   HG23  VAL  34          3HG2      VAL  34  -3.633  -3.401  -4.443
  272    H    ASP  35           H        ASP  35  -4.887  -4.296  -6.401
  273    HA   ASP  35           HA       ASP  35  -5.906  -6.899  -5.460
  274    HB2  ASP  35          2HB       ASP  35  -4.186  -6.203  -7.873
  275    HB3  ASP  35          1HB       ASP  35  -4.704  -7.830  -7.454
  276    H    SER  36           H        SER  36  -4.396  -8.605  -5.161
  277    HA   SER  36           HA       SER  36  -2.221  -8.298  -3.458
  278    HB2  SER  36          2HB       SER  36  -3.162 -10.424  -3.442
  279    HB3  SER  36          1HB       SER  36  -3.363 -10.480  -5.190
  280    H    ALA  37           H        ALA  37  -2.305  -8.671  -6.977
  281    HA   ALA  37           HA       ALA  37   0.452  -8.822  -7.501
  282    HB1  ALA  37          1HB       ALA  37  -1.769  -7.829  -9.317
  283    HB2  ALA  37          2HB       ALA  37  -1.280  -9.512  -9.104
  284    HB3  ALA  37          3HB       ALA  37  -0.165  -8.357  -9.837
  285    H    ALA  38           H        ALA  38  -1.547  -6.018  -6.796
  286    HA   ALA  38           HA       ALA  38   0.227  -4.072  -8.055
  287    HB1  ALA  38          1HB       ALA  38  -2.195  -3.669  -8.023
  288    HB2  ALA  38          2HB       ALA  38  -1.339  -2.382  -7.176
  289    HB3  ALA  38          3HB       ALA  38  -2.185  -3.635  -6.263
  290    H    ILE  39           H        ILE  39  -0.143  -5.556  -4.945
  291    HA   ILE  39           HA       ILE  39   0.728  -3.489  -3.227
  292    HB   ILE  39           HB       ILE  39   0.816  -6.515  -2.862
  293   HG12  ILE  39          2HG1      ILE  39  -1.450  -5.611  -3.287
  294   HG13  ILE  39          1HG1      ILE  39  -1.307  -6.249  -1.658
  295   HG21  ILE  39          1HG2      ILE  39   2.347  -5.488  -1.246
  296   HG22  ILE  39          2HG2      ILE  39   0.918  -6.110  -0.418
  297   HG23  ILE  39          3HG2      ILE  39   1.082  -4.377  -0.709
  298   HD11  ILE  39          1HD1      ILE  39  -1.247  -3.326  -2.408
  299   HD12  ILE  39          2HD1      ILE  39  -1.143  -3.987  -0.770
  300   HD13  ILE  39          3HD1      ILE  39  -2.610  -4.210  -1.720
  301    H    PHE  40           H        PHE  40   2.522  -5.771  -5.186
  302    HA   PHE  40           HA       PHE  40   5.094  -5.583  -4.048
  303    HB2  PHE  40          2HB       PHE  40   4.429  -7.303  -5.731
  304    HB3  PHE  40          1HB       PHE  40   4.347  -6.058  -6.970
  305    HD1  PHE  40           HD1      PHE  40   6.757  -7.521  -4.482
  306    HD2  PHE  40           HD2      PHE  40   6.275  -5.711  -8.335
  307    HE1  PHE  40           HE1      PHE  40   9.142  -7.878  -4.952
  308    HE2  PHE  40           HE2      PHE  40   8.664  -6.073  -8.794
  309    HZ   PHE  40           HZ       PHE  40  10.102  -7.156  -7.107
  310    H    ASP  41           H        ASP  41   3.319  -3.408  -6.119
  311    HA   ASP  41           HA       ASP  41   5.559  -1.669  -6.710
  312    HB2  ASP  41          2HB       ASP  41   3.570  -1.918  -8.241
  313    HB3  ASP  41          1HB       ASP  41   2.557  -1.171  -7.011
  314    H    LEU  42           H        LEU  42   2.691  -1.609  -4.582
  315    HA   LEU  42           HA       LEU  42   3.019   0.925  -3.435
  316    HB2  LEU  42          2HB       LEU  42   1.545  -1.542  -2.492
  317    HB3  LEU  42          1HB       LEU  42   1.640  -0.134  -1.454
  318    HG   LEU  42           HG       LEU  42   0.529   1.224  -3.270
  319   HD11  LEU  42          1HD1      LEU  42   0.058  -1.439  -4.622
  320   HD12  LEU  42          2HD1      LEU  42   1.069  -0.125  -5.224
  321   HD13  LEU  42          3HD1      LEU  42  -0.673   0.103  -5.084
  322   HD21  LEU  42          1HD2      LEU  42  -0.770   0.396  -1.372
  323   HD22  LEU  42          2HD2      LEU  42  -1.076  -1.126  -2.208
  324   HD23  LEU  42          3HD2      LEU  42  -1.749   0.378  -2.840
  325    H    VAL  43           H        VAL  43   4.543  -2.138  -2.542
  326    HA   VAL  43           HA       VAL  43   5.408  -1.359   0.041
  327    HB   VAL  43           HB       VAL  43   7.107  -3.196  -0.072
  328   HG11  VAL  43          1HG1      VAL  43   5.473  -5.015  -0.069
  329   HG12  VAL  43          2HG1      VAL  43   4.289  -3.965  -0.843
  330   HG13  VAL  43          3HG1      VAL  43   4.872  -3.594   0.780
  331   HG21  VAL  43          1HG2      VAL  43   7.638  -3.217  -2.483
  332   HG22  VAL  43          2HG2      VAL  43   5.999  -3.750  -2.856
  333   HG23  VAL  43          3HG2      VAL  43   7.086  -4.810  -1.956
  334    H    ASP  44           H        ASP  44   7.182  -1.320  -3.118
  335    HA   ASP  44           HA       ASP  44   9.598  -0.415  -1.945
  336    HB2  ASP  44          2HB       ASP  44   8.640  -0.312  -4.847
  337    HB3  ASP  44          1HB       ASP  44  10.263   0.182  -4.359
  338    H    PHE  45           H        PHE  45   6.727   1.324  -2.807
  339    HA   PHE  45           HA       PHE  45   7.886   3.951  -2.715
  340    HB2  PHE  45          2HB       PHE  45   5.604   3.271  -3.747
  341    HB3  PHE  45          1HB       PHE  45   4.979   3.285  -2.100
  342    HD1  PHE  45           HD1      PHE  45   5.712   5.302  -4.993
  343    HD2  PHE  45           HD2      PHE  45   5.243   5.523  -0.749
  344    HE1  PHE  45           HE1      PHE  45   5.362   7.730  -5.154
  345    HE2  PHE  45           HE2      PHE  45   4.884   7.943  -0.921
  346    HZ   PHE  45           HZ       PHE  45   4.941   9.053  -3.121
  347    H    LEU  46           H        LEU  46   6.047   1.953  -0.301
  348    HA   LEU  46           HA       LEU  46   6.263   3.761   1.890
  349    HB2  LEU  46          2HB       LEU  46   5.969   0.732   1.980
  350    HB3  LEU  46          1HB       LEU  46   5.709   1.807   3.342
  351    HG   LEU  46           HG       LEU  46   3.970   1.473   0.870
  352   HD11  LEU  46          1HD1      LEU  46   3.372   1.054   3.819
  353   HD12  LEU  46          2HD1      LEU  46   3.648  -0.206   2.615
  354   HD13  LEU  46          3HD1      LEU  46   2.235   0.834   2.485
  355   HD21  LEU  46          1HD2      LEU  46   4.058   3.879   1.349
  356   HD22  LEU  46          2HD2      LEU  46   3.613   3.575   3.029
  357   HD23  LEU  46          3HD2      LEU  46   2.472   3.211   1.732
  358    H    ARG  47           H        ARG  47   8.432   1.279   0.697
  359    HA   ARG  47           HA       ARG  47  10.187   1.346   3.017
  360    HB2  ARG  47          2HB       ARG  47  10.222  -0.265   0.436
  361    HB3  ARG  47          1HB       ARG  47  11.607  -0.255   1.522
  362    HG2  ARG  47          2HG       ARG  47  10.366  -2.206   2.081
  363    HG3  ARG  47          1HG       ARG  47  10.052  -1.043   3.367
  364    HD2  ARG  47          2HD       ARG  47   7.954  -0.444   1.836
  365    HD3  ARG  47          1HD       ARG  47   8.227  -2.064   1.223
  366    HE   ARG  47           HE       ARG  47   7.455  -2.954   3.185
  367   HH11  ARG  47          1HH1      ARG  47   7.961   0.496   3.706
  368   HH12  ARG  47          2HH1      ARG  47   7.122   0.517   5.220
  369   HH21  ARG  47          1HH2      ARG  47   6.272  -2.897   5.125
  370   HH22  ARG  47          2HH2      ARG  47   6.156  -1.424   6.030
  371    H    GLN  48           H        GLN  48   9.945   2.844  -0.105
  372    HA   GLN  48           HA       GLN  48  12.494   4.136  -0.135
  373    HB2  GLN  48          2HB       GLN  48  11.247   4.013  -2.177
  374    HB3  GLN  48          1HB       GLN  48   9.836   4.763  -1.453
  375    HG2  GLN  48          2HG       GLN  48  12.381   6.345  -1.588
  376    HG3  GLN  48          1HG       GLN  48  11.468   6.103  -3.057
  377   HE21  GLN  48          1HE2      GLN  48   8.852   6.188  -1.562
  378   HE22  GLN  48          2HE2      GLN  48   8.611   7.851  -1.163
  379    H    GLU  49           H        GLU  49   9.333   4.890   1.298
  380    HA   GLU  49           HA       GLU  49  10.004   7.497   2.282
  381    HB2  GLU  49          2HB       GLU  49   7.862   5.512   3.168
  382    HB3  GLU  49          1HB       GLU  49   7.970   7.174   3.746
  383    HG2  GLU  49          2HG       GLU  49   7.594   8.002   1.463
  384    HG3  GLU  49          1HG       GLU  49   7.498   6.345   0.866
  385    H    SER  50           H        SER  50   9.717   4.327   3.807
  386    HA   SER  50           HA       SER  50  10.698   5.203   6.381
  387    HB2  SER  50          2HB       SER  50   9.962   2.431   5.364
  388    HB3  SER  50          1HB       SER  50  10.224   2.870   7.052
  389    HG   SER  50           HG       SER  50   8.368   4.381   5.620
  390    H    LYS  51           H        LYS  51  12.208   4.140   3.558
  391    HA   LYS  51           HA       LYS  51  14.287   3.598   2.928
  392    HB2  LYS  51          2HB       LYS  51  15.106   4.662   5.664
  393    HB3  LYS  51          1HB       LYS  51  16.187   4.432   4.296
  394    HG2  LYS  51          2HG       LYS  51  13.888   6.410   4.471
  395    HG3  LYS  51          1HG       LYS  51  15.606   6.792   4.515
  396    HD2  LYS  51          2HD       LYS  51  14.129   5.571   2.155
  397    HD3  LYS  51          1HD       LYS  51  14.571   7.268   2.304
  398    HE2  LYS  51          2HE       LYS  51  16.608   5.020   2.273
  399    HE3  LYS  51          1HE       LYS  51  16.073   5.867   0.825
  400    HZ1  LYS  51          1HZ       LYS  51  18.135   6.767   1.703
  401    HZ2  LYS  51          2HZ       LYS  51  17.375   7.147   3.164
  402    HZ3  LYS  51          3HZ       LYS  51  16.903   7.924   1.741
  403    H    VAL  52           H        VAL  52  12.679   1.556   4.250
  404    HA   VAL  52           HA       VAL  52  14.743  -0.229   5.435
  405    HB   VAL  52           HB       VAL  52  12.816  -1.501   6.423
  406   HG11  VAL  52          1HG1      VAL  52  14.113   0.085   7.781
  407   HG12  VAL  52          2HG1      VAL  52  12.425   0.043   8.292
  408   HG13  VAL  52          3HG1      VAL  52  13.015   1.389   7.315
  409   HG21  VAL  52          1HG2      VAL  52  10.584  -0.408   6.604
  410   HG22  VAL  52          2HG2      VAL  52  10.986  -0.813   4.936
  411   HG23  VAL  52          3HG2      VAL  52  11.129   0.855   5.496
  412    H    SER  53           H        SER  53  14.372  -2.575   4.955
  413    HA   SER  53           HA       SER  53  13.065  -3.106   2.342
  414    HB2  SER  53          2HB       SER  53  15.083  -4.835   3.829
  415    HB3  SER  53          1HB       SER  53  14.435  -5.116   2.209
  416    HG   SER  53           HG       SER  53  15.365  -2.940   1.743
  417    H    ILE  54           H        ILE  54  11.692  -4.963   2.163
  418    HA   ILE  54           HA       ILE  54  10.679  -6.184   4.658
  419    HB   ILE  54           HB       ILE  54   9.104  -4.391   3.984
  420   HG12  ILE  54          2HG1      ILE  54   7.928  -7.173   3.509
  421   HG13  ILE  54          1HG1      ILE  54   8.174  -6.424   5.082
  422   HG21  ILE  54          1HG2      ILE  54   9.568  -4.303   1.577
  423   HG22  ILE  54          2HG2      ILE  54   7.838  -4.486   1.867
  424   HG23  ILE  54          3HG2      ILE  54   8.793  -5.875   1.352
  425   HD11  ILE  54          1HD1      ILE  54   5.854  -6.337   4.416
  426   HD12  ILE  54          2HD1      ILE  54   6.273  -5.477   2.938
  427   HD13  ILE  54          3HD1      ILE  54   6.515  -4.703   4.509
  428    H    GLY  55           H        GLY  55   9.943  -8.356   4.421
  429    HA2  GLY  55          2HA       GLY  55  10.907  -9.820   2.076
  430    HA3  GLY  55          1HA       GLY  55  10.351 -10.513   3.591
  431    H    MET  56           H        MET  56   9.597 -11.302   0.880
  432    HA   MET  56           HA       MET  56   7.173 -10.258  -0.069
  433    HB2  MET  56          2HB       MET  56   8.181 -13.109  -0.429
  434    HB3  MET  56          1HB       MET  56   6.959 -12.317  -1.420
  435    HG2  MET  56          2HG       MET  56   9.913 -11.687  -1.278
  436    HG3  MET  56          1HG       MET  56   9.001 -12.317  -2.652
  437    HE1  MET  56          1HE       MET  56   6.356 -10.396  -2.505
  438    HE2  MET  56          2HE       MET  56   7.187 -10.822  -4.001
  439    HE3  MET  56          3HE       MET  56   6.856  -9.133  -3.627
  440    H    GLN  57           H        GLN  57   7.736 -12.487   2.524
  441    HA   GLN  57           HA       GLN  57   5.169 -13.714   2.672
  442    HB2  GLN  57          2HB       GLN  57   7.316 -14.589   3.711
  443    HB3  GLN  57          1HB       GLN  57   7.184 -13.321   4.924
  444    HG2  GLN  57          2HG       GLN  57   6.356 -15.389   5.857
  445    HG3  GLN  57          1HG       GLN  57   4.993 -14.290   5.641
  446   HE21  GLN  57          1HE2      GLN  57   6.556 -17.192   4.450
  447   HE22  GLN  57          2HE2      GLN  57   5.211 -17.789   3.544
  448    H    GLU  58           H        GLU  58   6.632 -10.835   4.121
  449    HA   GLU  58           HA       GLU  58   4.297 -10.143   5.719
  450    HB2  GLU  58          2HB       GLU  58   6.808  -8.487   5.227
  451    HB3  GLU  58          1HB       GLU  58   5.607  -8.231   6.490
  452    HG2  GLU  58          2HG       GLU  58   7.570 -10.528   6.258
  453    HG3  GLU  58          1HG       GLU  58   7.570  -9.245   7.468
  454    H    ILE  59           H        ILE  59   5.547  -9.496   2.558
  455    HA   ILE  59           HA       ILE  59   3.892  -7.202   1.995
  456    HB   ILE  59           HB       ILE  59   5.205  -9.094  -0.008
  457   HG12  ILE  59          2HG1      ILE  59   6.274  -6.457   1.105
  458   HG13  ILE  59          1HG1      ILE  59   6.909  -8.054   1.478
  459   HG21  ILE  59          1HG2      ILE  59   4.070  -6.296  -0.328
  460   HG22  ILE  59          2HG2      ILE  59   3.402  -7.783  -0.995
  461   HG23  ILE  59          3HG2      ILE  59   4.950  -7.176  -1.582
  462   HD11  ILE  59          1HD1      ILE  59   7.571  -8.333  -0.864
  463   HD12  ILE  59          2HD1      ILE  59   8.304  -6.913  -0.122
  464   HD13  ILE  59          3HD1      ILE  59   6.941  -6.720  -1.224
  465    H    HIS  60           H        HIS  60   1.802  -7.950   2.690
  466    HA   HIS  60           HA       HIS  60   0.440  -9.339   0.498
  467    HB2  HIS  60          2HB       HIS  60   0.765 -10.549   3.118
  468    HB3  HIS  60          1HB       HIS  60  -0.937 -10.145   2.928
  469    HD1  HIS  60           HD1      HIS  60   1.750 -11.838   0.784
  470    HD2  HIS  60           HD2      HIS  60  -2.314 -12.111   1.645
  471    HE1  HIS  60           HE1      HIS  60   0.924 -13.831  -0.508
  472    HE2  HIS  60           HE2      HIS  60  -1.537 -13.957   0.008
  473    HA   PRO  61           HA       PRO  61  -2.370  -5.866   0.858
  474    HB2  PRO  61          2HB       PRO  61  -4.651  -6.990  -0.244
  475    HB3  PRO  61          1HB       PRO  61  -3.264  -6.456  -1.209
  476    HG2  PRO  61          2HG       PRO  61  -3.935  -9.218  -0.261
  477    HG3  PRO  61          1HG       PRO  61  -3.406  -8.681  -1.869
  478    HD2  PRO  61          2HD       PRO  61  -1.669  -9.799  -0.150
  479    HD3  PRO  61          1HD       PRO  61  -1.166  -8.460  -1.206
  480    H    ALA  62           H        ALA  62  -2.947  -8.920   2.415
  481    HA   ALA  62           HA       ALA  62  -5.126  -8.371   4.079
  482    HB1  ALA  62          1HB       ALA  62  -2.624  -9.980   4.730
  483    HB2  ALA  62          2HB       ALA  62  -4.069 -10.599   3.929
  484    HB3  ALA  62          3HB       ALA  62  -4.157 -10.063   5.608
  485    H    ASN  63           H        ASN  63  -1.752  -7.373   4.281
  486    HA   ASN  63           HA       ASN  63  -2.080  -5.910   6.798
  487    HB2  ASN  63          2HB       ASN  63   0.356  -6.198   4.980
  488    HB3  ASN  63          1HB       ASN  63   0.352  -5.445   6.576
  489   HD21  ASN  63          1HD2      ASN  63   1.955  -7.694   5.704
  490   HD22  ASN  63          2HD2      ASN  63   1.543  -9.025   6.724
  491    H    PHE  64           H        PHE  64  -1.980  -5.345   3.350
  492    HA   PHE  64           HA       PHE  64  -1.939  -2.410   3.639
  493    HB2  PHE  64          2HB       PHE  64  -1.791  -4.236   1.196
  494    HB3  PHE  64          1HB       PHE  64  -1.849  -2.479   1.098
  495    HD1  PHE  64           HD1      PHE  64   0.149  -5.227   2.667
  496    HD2  PHE  64           HD2      PHE  64   0.188  -1.302   0.997
  497    HE1  PHE  64           HE1      PHE  64   2.581  -5.194   2.827
  498    HE2  PHE  64           HE2      PHE  64   2.630  -1.271   1.182
  499    HZ   PHE  64           HZ       PHE  64   3.827  -3.212   2.096
  500    H    ALA  65           H        ALA  65  -4.238  -4.222   4.422
  501    HA   ALA  65           HA       ALA  65  -6.430  -4.078   2.686
  502    HB1  ALA  65          1HB       ALA  65  -7.803  -4.496   4.687
  503    HB2  ALA  65          2HB       ALA  65  -6.451  -4.042   5.729
  504    HB3  ALA  65          3HB       ALA  65  -6.340  -5.487   4.722
  505    H    THR  66           H        THR  66  -5.109  -1.729   4.921
  506    HA   THR  66           HA       THR  66  -6.476   0.476   3.608
  507    HB   THR  66           HB       THR  66  -6.936   1.573   5.910
  508    HG1  THR  66           HG1      THR  66  -6.715  -1.135   6.766
  509   HG21  THR  66          1HG2      THR  66  -8.837   0.772   4.557
  510   HG22  THR  66          2HG2      THR  66  -9.128   0.520   6.279
  511   HG23  THR  66          3HG2      THR  66  -8.660  -0.839   5.255
  512    H    VAL  67           H        VAL  67  -5.420   2.593   4.390
  513    HA   VAL  67           HA       VAL  67  -2.575   2.297   4.499
  514    HB   VAL  67           HB       VAL  67  -4.345   4.756   4.651
  515   HG11  VAL  67          1HG1      VAL  67  -2.293   6.153   4.354
  516   HG12  VAL  67          2HG1      VAL  67  -1.297   4.718   4.605
  517   HG13  VAL  67          3HG1      VAL  67  -2.310   5.325   5.915
  518   HG21  VAL  67          1HG2      VAL  67  -4.289   3.620   2.476
  519   HG22  VAL  67          2HG2      VAL  67  -2.523   3.655   2.472
  520   HG23  VAL  67          3HG2      VAL  67  -3.435   5.160   2.364
  521    H    GLN  68           H        GLN  68  -5.046   2.849   6.971
  522    HA   GLN  68           HA       GLN  68  -3.275   3.470   9.111
  523    HB2  GLN  68          2HB       GLN  68  -5.087   2.869  10.642
  524    HB3  GLN  68          1HB       GLN  68  -5.731   3.813   9.304
  525    HG2  GLN  68          2HG       GLN  68  -6.608   1.772   8.259
  526    HG3  GLN  68          1HG       GLN  68  -5.928   0.794   9.558
  527   HE21  GLN  68          1HE2      GLN  68  -8.005  -0.036  10.071
  528   HE22  GLN  68          2HE2      GLN  68  -9.183   0.922  10.895
  529    H    SER  69           H        SER  69  -4.345   0.391   7.695
  530    HA   SER  69           HA       SER  69  -3.121  -1.329   9.626
  531    HB2  SER  69          2HB       SER  69  -3.989  -1.913   6.764
  532    HB3  SER  69          1HB       SER  69  -3.583  -3.131   7.971
  533    HG   SER  69           HG       SER  69  -5.374  -2.555   9.138
  534    H    MET  70           H        MET  70  -2.124  -0.076   6.423
  535    HA   MET  70           HA       MET  70   0.215  -1.739   6.216
  536    HB2  MET  70          2HB       MET  70   0.578  -0.801   4.084
  537    HB3  MET  70          1HB       MET  70  -1.174  -0.772   4.257
  538    HG2  MET  70          2HG       MET  70  -1.093   1.620   4.770
  539    HG3  MET  70          1HG       MET  70   0.663   1.605   4.660
  540    HE1  MET  70          1HE       MET  70  -1.952  -0.289   2.310
  541    HE2  MET  70          2HE       MET  70  -2.127   0.903   1.020
  542    HE3  MET  70          3HE       MET  70  -2.728   1.266   2.638
  543    H    VAL  71           H        VAL  71  -0.447   1.512   7.388
  544    HA   VAL  71           HA       VAL  71   2.218   2.502   7.545
  545    HB   VAL  71           HB       VAL  71  -0.195   3.692   7.913
  546   HG11  VAL  71          1HG1      VAL  71   0.708   3.445  10.774
  547   HG12  VAL  71          2HG1      VAL  71  -0.713   2.680  10.070
  548   HG13  VAL  71          3HG1      VAL  71  -0.629   4.441  10.184
  549   HG21  VAL  71          1HG2      VAL  71   0.973   5.740   8.675
  550   HG22  VAL  71          2HG2      VAL  71   1.895   4.898   7.428
  551   HG23  VAL  71          3HG2      VAL  71   2.377   4.765   9.120
  552    H    ALA  72           H        ALA  72   0.235   0.525   9.555
  553    HA   ALA  72           HA       ALA  72   1.853   0.719  11.941
  554    HB1  ALA  72          1HB       ALA  72  -0.617   0.704  11.983
  555    HB2  ALA  72          2HB       ALA  72   0.082  -0.609  12.947
  556    HB3  ALA  72          3HB       ALA  72  -0.606  -0.947  11.354
  557    H    LEU  73           H        LEU  73   1.347  -1.513   9.275
  558    HA   LEU  73           HA       LEU  73   2.768  -3.766  10.165
  559    HB2  LEU  73          2HB       LEU  73   1.566  -4.134   8.192
  560    HB3  LEU  73          1HB       LEU  73   1.944  -2.549   7.544
  561    HG   LEU  73           HG       LEU  73   4.310  -3.403   7.150
  562   HD11  LEU  73          1HD1      LEU  73   4.302  -5.376   8.581
  563   HD12  LEU  73          2HD1      LEU  73   4.646  -5.835   6.915
  564   HD13  LEU  73          3HD1      LEU  73   3.043  -6.131   7.596
  565   HD21  LEU  73          1HD2      LEU  73   2.069  -4.660   5.552
  566   HD22  LEU  73          2HD2      LEU  73   3.731  -4.414   5.004
  567   HD23  LEU  73          3HD2      LEU  73   2.707  -3.025   5.367
  568    H    VAL  74           H        VAL  74   3.743  -0.741   8.567
  569    HA   VAL  74           HA       VAL  74   6.490  -1.254   8.228
  570    HB   VAL  74           HB       VAL  74   5.216   1.472   8.769
  571   HG11  VAL  74          1HG1      VAL  74   7.858   0.773   7.417
  572   HG12  VAL  74          2HG1      VAL  74   7.669   1.501   9.013
  573   HG13  VAL  74          3HG1      VAL  74   7.183   2.397   7.576
  574   HG21  VAL  74          1HG2      VAL  74   5.047   1.753   6.322
  575   HG22  VAL  74          2HG2      VAL  74   4.118   0.354   6.853
  576   HG23  VAL  74          3HG2      VAL  74   5.677   0.120   6.074
  577    H    GLN  75           H        GLN  75   4.667   0.200  10.897
  578    HA   GLN  75           HA       GLN  75   6.861   0.893  12.563
  579    HB2  GLN  75          2HB       GLN  75   3.952   0.330  13.282
  580    HB3  GLN  75          1HB       GLN  75   5.120   1.102  14.354
  581    HG2  GLN  75          2HG       GLN  75   5.305   3.013  12.814
  582    HG3  GLN  75          1HG       GLN  75   4.199   2.223  11.685
  583   HE21  GLN  75          1HE2      GLN  75   2.021   2.385  12.027
  584   HE22  GLN  75          2HE2      GLN  75   1.302   3.285  13.311
  585    H    ARG  76           H        ARG  76   5.121  -2.119  12.102
  586    HA   ARG  76           HA       ARG  76   6.086  -3.492  14.433
  587    HB2  ARG  76          2HB       ARG  76   4.827  -4.500  11.856
  588    HB3  ARG  76          1HB       ARG  76   5.238  -5.556  13.206
  589    HG2  ARG  76          2HG       ARG  76   3.659  -4.411  14.656
  590    HG3  ARG  76          1HG       ARG  76   3.322  -3.210  13.407
  591    HD2  ARG  76          2HD       ARG  76   1.523  -4.871  13.548
  592    HD3  ARG  76          1HD       ARG  76   2.338  -4.956  11.983
  593    HE   ARG  76           HE       ARG  76   3.506  -6.808  13.786
  594   HH11  ARG  76          1HH1      ARG  76   0.577  -6.396  11.891
  595   HH12  ARG  76          2HH1      ARG  76   0.285  -8.098  11.761
  596   HH21  ARG  76          1HH2      ARG  76   3.103  -9.032  13.580
  597   HH22  ARG  76          2HH2      ARG  76   1.704  -9.576  12.711
  598    H    LEU  77           H        LEU  77   7.033  -3.520  10.945
  599    HA   LEU  77           HA       LEU  77   9.237  -5.330  11.410
  600    HB2  LEU  77          2HB       LEU  77   9.838  -4.949   9.029
  601    HB3  LEU  77          1HB       LEU  77   8.188  -5.473   9.279
  602    HG   LEU  77           HG       LEU  77   7.470  -3.044   8.959
  603   HD11  LEU  77          1HD1      LEU  77  10.305  -2.647   7.955
  604   HD12  LEU  77          2HD1      LEU  77   9.520  -1.815   9.308
  605   HD13  LEU  77          3HD1      LEU  77   8.957  -1.543   7.657
  606   HD21  LEU  77          1HD2      LEU  77   8.732  -4.520   6.644
  607   HD22  LEU  77          2HD2      LEU  77   7.567  -3.204   6.505
  608   HD23  LEU  77          3HD2      LEU  77   7.092  -4.712   7.276
  609    H    LYS  78           H        LYS  78   8.881  -1.929  11.739
  610    HA   LYS  78           HA       LYS  78  11.630  -1.181  11.666
  611    HB2  LYS  78          2HB       LYS  78   9.230  -0.101  13.182
  612    HB3  LYS  78          1HB       LYS  78  10.823   0.602  13.356
  613    HG2  LYS  78          2HG       LYS  78   9.127   0.523  10.855
  614    HG3  LYS  78          1HG       LYS  78   9.536   1.941  11.827
  615    HD2  LYS  78          2HD       LYS  78  11.987   1.490  11.222
  616    HD3  LYS  78          1HD       LYS  78  11.404   0.281  10.070
  617    HE2  LYS  78          2HE       LYS  78  11.759   2.293   8.836
  618    HE3  LYS  78          1HE       LYS  78  10.014   2.127   9.016
  619    HZ1  LYS  78          1HZ       LYS  78  10.743   4.375   9.413
  620    HZ2  LYS  78          2HZ       LYS  78  11.772   3.868  10.650
  621    HZ3  LYS  78          3HZ       LYS  78  10.098   3.716  10.825
  622    H    ALA  79           H        ALA  79   9.557  -2.701  14.042
  623    HA   ALA  79           HA       ALA  79  11.606  -2.716  16.145
  624    HB1  ALA  79          1HB       ALA  79   9.760  -3.504  17.585
  625    HB2  ALA  79          2HB       ALA  79   8.692  -3.584  16.182
  626    HB3  ALA  79          3HB       ALA  79   9.313  -2.025  16.731
  627    H    HIS  80           H        HIS  80  11.292  -4.522  13.535
  628    HA   HIS  80           HA       HIS  80  10.598  -7.114  14.100
  629    HB2  HIS  80          2HB       HIS  80  11.920  -7.787  12.120
  630    HB3  HIS  80          1HB       HIS  80  10.952  -6.352  11.831
  631    HD1  HIS  80           HD1      HIS  80  13.228  -6.942   9.981
  632    HD2  HIS  80           HD2      HIS  80  13.673  -4.524  13.297
  633    HE1  HIS  80           HE1      HIS  80  15.222  -5.530   9.498
  634    HE2  HIS  80           HE2      HIS  80  15.528  -4.110  11.557
  635    HA   PRO  81           HA       PRO  81  14.051  -8.603  16.744
  636    HB2  PRO  81          2HB       PRO  81  13.106 -11.209  17.005
  637    HB3  PRO  81          1HB       PRO  81  12.530  -9.853  17.994
  638    HG2  PRO  81          2HG       PRO  81  11.251 -11.075  15.566
  639    HG3  PRO  81          1HG       PRO  81  10.500 -10.541  17.087
  640    HD2  PRO  81          2HD       PRO  81  10.409  -9.012  14.845
  641    HD3  PRO  81          1HD       PRO  81  10.497  -8.291  16.466
  642    H    GLU  82           H        GLU  82  12.747 -10.156  13.844
  643    HA   GLU  82           HA       GLU  82  15.228 -10.321  12.490
  644    HB2  GLU  82          2HB       GLU  82  15.591 -12.265  14.029
  645    HB3  GLU  82          1HB       GLU  82  14.098 -12.996  13.451
  646    HG2  GLU  82          2HG       GLU  82  15.105 -13.135  11.156
  647    HG3  GLU  82          1HG       GLU  82  16.611 -12.499  11.820
  648    H    GLN  83           H        GLN  83  14.111  -9.384  10.786
  649    HA   GLN  83           HA       GLN  83  12.631 -11.145   9.062
  650    HB2  GLN  83          2HB       GLN  83  11.179  -8.992  10.558
  651    HB3  GLN  83          1HB       GLN  83  10.821  -9.070   8.842
  652    HG2  GLN  83          2HG       GLN  83  10.527 -11.393  10.771
  653    HG3  GLN  83          1HG       GLN  83   9.214 -10.332  10.273
  654   HE21  GLN  83          1HE2      GLN  83   8.045 -12.060   9.399
  655   HE22  GLN  83          2HE2      GLN  83   8.485 -12.824   7.915
  656    H    GLY  84           H        GLY  84  13.783 -10.882   7.281
  657    HA2  GLY  84          2HA       GLY  84  14.080  -8.155   6.133
  658    HA3  GLY  84          1HA       GLY  84  15.419  -9.303   6.120
  659    H    GLY  85           H        GLY  85  14.178 -11.644   5.573
  660    HA2  GLY  85          2HA       GLY  85  13.488 -12.986   3.865
  661    HA3  GLY  85          1HA       GLY  85  12.438 -11.670   3.347
  662    H    ALA  86           H        ALA  86  12.863 -11.956   1.170
  663    HA   ALA  86           HA       ALA  86  15.059 -10.459   0.120
  664    HB1  ALA  86          1HB       ALA  86  15.980 -12.237  -1.364
  665    HB2  ALA  86          2HB       ALA  86  14.964 -13.436  -0.557
  666    HB3  ALA  86          3HB       ALA  86  16.237 -12.610   0.341
  667    H    ALA  87           H        ALA  87  13.908  -9.228  -1.214
  668    HA   ALA  87           HA       ALA  87  11.842 -10.407  -2.998
  669    HB1  ALA  87          1HB       ALA  87  10.802  -8.153  -3.022
  670    HB2  ALA  87          2HB       ALA  87  12.026  -7.569  -1.889
  671    HB3  ALA  87          3HB       ALA  87  10.874  -8.808  -1.386
  672    H    LEU  88           H        LEU  88  12.992 -10.774  -4.873
  673    HA   LEU  88           HA       LEU  88  15.080  -9.021  -5.793
  674    HB2  LEU  88          2HB       LEU  88  15.120 -11.445  -6.293
  675    HB3  LEU  88          1HB       LEU  88  13.658 -11.280  -7.255
  676    HG   LEU  88           HG       LEU  88  14.864  -9.849  -8.886
  677   HD11  LEU  88          1HD1      LEU  88  17.298  -9.517  -8.778
  678   HD12  LEU  88          2HD1      LEU  88  17.343 -10.284  -7.190
  679   HD13  LEU  88          3HD1      LEU  88  16.478  -8.763  -7.413
  680   HD21  LEU  88          1HD2      LEU  88  14.819 -12.251  -9.316
  681   HD22  LEU  88          2HD2      LEU  88  16.299 -12.477  -8.379
  682   HD23  LEU  88          3HD2      LEU  88  16.334 -11.550  -9.881
  683    H    GLU  89           H        GLU  89  14.732  -7.137  -6.704
  684    HA   GLU  89           HA       GLU  89  12.381  -6.634  -8.413
  685    HB2  GLU  89          2HB       GLU  89  12.160  -5.688  -6.025
  686    HB3  GLU  89          1HB       GLU  89  13.518  -4.641  -6.387
  687    HG2  GLU  89          2HG       GLU  89  10.860  -4.620  -7.849
  688    HG3  GLU  89          1HG       GLU  89  11.302  -3.513  -6.557
  689   H282  PNS 101          3H28      PNS 136   1.287  -9.977  -2.018
  690   H281  PNS 101          2H28      PNS 136   0.358  -9.382  -3.401
  691   H303  PNS 101          3H51      PNS 136   3.691  -8.017  -4.106
  692   H302  PNS 101          2H51      PNS 136   1.974  -7.642  -3.978
  693   H301  PNS 101          1H51      PNS 136   2.890  -8.092  -2.534
  694   H313  PNS 101          3H52      PNS 136   1.459  -9.316  -5.713
  695   H312  PNS 101          2H52      PNS 136   1.993 -10.986  -5.526
  696   H311  PNS 101          1H52      PNS 136   3.176  -9.724  -5.865
  697    H32  PNS 101           H32      PNS 136   4.500 -10.324  -3.919
  698    H33  PNS 101           H33      PNS 136   3.144 -10.508  -1.439
  699    H36  PNS 101           H36      PNS 136   4.646 -12.288  -1.874
  700   H372  PNS 101          3H37      PNS 136   4.948 -14.507  -1.573
  701   H371  PNS 101          2H37      PNS 136   3.268 -14.661  -2.074
  702   H382  PNS 101          3H38      PNS 136   4.749 -16.088  -3.449
  703   H381  PNS 101          2H38      PNS 136   3.942 -14.861  -4.421
  704    H41  PNS 101           H41      PNS 136   5.143 -13.366  -5.514
  705   H422  PNS 101          3H42      PNS 136   7.603 -13.786  -6.545
  706   H421  PNS 101          2H42      PNS 136   7.964 -12.872  -5.079
  707   H431  PNS 101          2H43      PNS 136   6.492 -11.040  -5.863
  708   H432  PNS 101          3H43      PNS 136   7.762 -11.380  -7.052
  709    H44  PNS 101           H44      PNS 136   6.093 -12.950  -8.685
  Start of MODEL   20
    1    H1   MET   1          1H        MET   1   2.194  15.390   0.838
    2    H2   MET   1          2H        MET   1   2.440  16.753  -0.126
    3    H3   MET   1          3H        MET   1   3.614  15.540  -0.061
    4    HA   MET   1           HA       MET   1   0.869  15.187  -1.094
    5    HB2  MET   1          2HB       MET   1   1.902  15.155  -3.361
    6    HB3  MET   1          1HB       MET   1   2.116  16.704  -2.561
    7    HG2  MET   1          2HG       MET   1   4.431  15.998  -1.937
    8    HG3  MET   1          1HG       MET   1   4.196  14.540  -2.898
    9    HE1  MET   1          1HE       MET   1   4.287  18.804  -4.699
   10    HE2  MET   1          2HE       MET   1   4.600  18.479  -2.996
   11    HE3  MET   1          3HE       MET   1   2.976  18.260  -3.653
   12    H    LEU   2           H        LEU   2   2.651  13.600   0.787
   13    HA   LEU   2           HA       LEU   2   4.084  11.552  -0.406
   14    HB2  LEU   2          2HB       LEU   2   4.197  12.258   1.982
   15    HB3  LEU   2          1HB       LEU   2   2.623  11.528   2.257
   16    HG   LEU   2           HG       LEU   2   3.602   9.283   1.680
   17   HD11  LEU   2          1HD1      LEU   2   5.418  10.025   0.233
   18   HD12  LEU   2          2HD1      LEU   2   6.033   9.024   1.540
   19   HD13  LEU   2          3HD1      LEU   2   6.242  10.774   1.606
   20   HD21  LEU   2          1HD2      LEU   2   5.003  10.706   3.972
   21   HD22  LEU   2          2HD2      LEU   2   4.832   8.960   3.771
   22   HD23  LEU   2          3HD2      LEU   2   3.404   9.954   4.032
   23    H    GLU   3           H        GLU   3   0.765  11.380   0.918
   24    HA   GLU   3           HA       GLU   3   0.219   8.724   0.099
   25    HB2  GLU   3          2HB       GLU   3  -1.741  10.971   0.748
   26    HB3  GLU   3          1HB       GLU   3  -2.212   9.295   0.496
   27    HG2  GLU   3          2HG       GLU   3  -2.161   9.561   2.842
   28    HG3  GLU   3          1HG       GLU   3  -0.662   8.719   2.457
   29    H    SER   4           H        SER   4  -0.362  11.873  -1.417
   30    HA   SER   4           HA       SER   4  -1.961  11.170  -3.591
   31    HB2  SER   4          2HB       SER   4   0.200  13.326  -3.569
   32    HB3  SER   4          1HB       SER   4  -1.247  13.288  -4.579
   33    HG   SER   4           HG       SER   4  -1.666  14.629  -2.889
   34    H    LYS   5           H        LYS   5   1.529  10.807  -3.099
   35    HA   LYS   5           HA       LYS   5   2.247  10.426  -5.845
   36    HB2  LYS   5          2HB       LYS   5   3.757   9.714  -3.295
   37    HB3  LYS   5          1HB       LYS   5   4.447   9.703  -4.918
   38    HG2  LYS   5          2HG       LYS   5   4.018  12.142  -5.114
   39    HG3  LYS   5          1HG       LYS   5   3.360  12.146  -3.479
   40    HD2  LYS   5          2HD       LYS   5   5.635  12.979  -3.397
   41    HD3  LYS   5          1HD       LYS   5   5.605  11.389  -2.627
   42    HE2  LYS   5          2HE       LYS   5   7.572  11.759  -4.170
   43    HE3  LYS   5          1HE       LYS   5   6.593  10.353  -4.587
   44    HZ1  LYS   5          1HZ       LYS   5   7.143  11.595  -6.542
   45    HZ2  LYS   5          2HZ       LYS   5   6.495  13.012  -5.906
   46    HZ3  LYS   5          3HZ       LYS   5   5.483  11.711  -6.276
   47    H    LEU   6           H        LEU   6   1.790   8.146  -3.064
   48    HA   LEU   6           HA       LEU   6   2.481   5.811  -4.544
   49    HB2  LEU   6          2HB       LEU   6   1.813   4.504  -2.613
   50    HB3  LEU   6          1HB       LEU   6   2.700   5.916  -2.091
   51    HG   LEU   6           HG       LEU   6   0.219   6.902  -1.714
   52   HD11  LEU   6          1HD1      LEU   6  -1.010   4.970  -2.546
   53   HD12  LEU   6          2HD1      LEU   6  -1.343   5.221  -0.838
   54   HD13  LEU   6          3HD1      LEU   6  -0.251   3.926  -1.339
   55   HD21  LEU   6          1HD2      LEU   6   0.364   6.269   0.657
   56   HD22  LEU   6          2HD2      LEU   6   1.930   6.767   0.024
   57   HD23  LEU   6          3HD2      LEU   6   1.585   5.053   0.269
   58    H    ILE   7           H        ILE   7  -0.557   7.474  -3.880
   59    HA   ILE   7           HA       ILE   7  -2.329   5.512  -4.944
   60    HB   ILE   7           HB       ILE   7  -2.682   8.515  -4.591
   61   HG12  ILE   7          2HG1      ILE   7  -3.818   6.251  -2.887
   62   HG13  ILE   7          1HG1      ILE   7  -2.325   7.094  -2.502
   63   HG21  ILE   7          1HG2      ILE   7  -4.253   7.706  -6.324
   64   HG22  ILE   7          2HG2      ILE   7  -5.121   8.156  -4.854
   65   HG23  ILE   7          3HG2      ILE   7  -4.832   6.455  -5.221
   66   HD11  ILE   7          1HD1      ILE   7  -5.077   8.317  -2.620
   67   HD12  ILE   7          2HD1      ILE   7  -3.585   9.200  -2.283
   68   HD13  ILE   7          3HD1      ILE   7  -4.141   7.947  -1.173
   69    H    ASN   8           H        ASN   8  -1.070   8.604  -6.322
   70    HA   ASN   8           HA       ASN   8  -2.262   8.518  -8.817
   71    HB2  ASN   8          2HB       ASN   8  -0.897  10.422  -7.744
   72    HB3  ASN   8          1HB       ASN   8   0.547   9.636  -8.348
   73   HD21  ASN   8          1HD2      ASN   8  -0.449   8.971 -11.012
   74   HD22  ASN   8          2HD2      ASN   8  -0.693  10.465 -11.829
   75    H    HIS   9           H        HIS   9   0.619   6.830  -7.692
   76    HA   HIS   9           HA       HIS   9   1.910   6.190 -10.056
   77    HB2  HIS   9          2HB       HIS   9   2.755   5.840  -7.727
   78    HB3  HIS   9          1HB       HIS   9   1.697   4.448  -7.569
   79    HD1  HIS   9           HD1      HIS   9   5.087   5.194  -8.194
   80    HD2  HIS   9           HD2      HIS   9   2.411   2.476  -9.843
   81    HE1  HIS   9           HE1      HIS   9   6.503   3.408  -9.240
   82    HE2  HIS   9           HE2      HIS   9   4.849   1.650  -9.932
   83    H    ILE  10           H        ILE  10  -0.167   3.868  -8.262
   84    HA   ILE  10           HA       ILE  10  -0.543   2.318 -10.688
   85    HB   ILE  10           HB       ILE  10  -2.028   0.862  -9.060
   86   HG12  ILE  10          2HG1      ILE  10  -1.208   0.870  -6.689
   87   HG13  ILE  10          1HG1      ILE  10  -0.296   2.332  -7.010
   88   HG21  ILE  10          1HG2      ILE  10   0.018   0.064 -10.097
   89   HG22  ILE  10          2HG2      ILE  10  -0.045  -0.479  -8.421
   90   HG23  ILE  10          3HG2      ILE  10   1.004   0.870  -8.874
   91   HD11  ILE  10          1HD1      ILE  10  -2.294   2.818  -5.793
   92   HD12  ILE  10          2HD1      ILE  10  -3.291   2.024  -7.017
   93   HD13  ILE  10          3HD1      ILE  10  -2.409   3.502  -7.413
   94    H    ALA  11           H        ALA  11  -2.417   4.660  -8.861
   95    HA   ALA  11           HA       ALA  11  -5.009   4.244  -9.793
   96    HB1  ALA  11          1HB       ALA  11  -4.439   5.996  -8.152
   97    HB2  ALA  11          2HB       ALA  11  -5.389   6.651  -9.486
   98    HB3  ALA  11          3HB       ALA  11  -3.647   6.930  -9.422
   99    H    THR  12           H        THR  12  -2.188   5.284 -11.578
  100    HA   THR  12           HA       THR  12  -3.387   6.439 -13.849
  101    HB   THR  12           HB       THR  12  -0.821   4.782 -13.813
  102    HG1  THR  12           HG1      THR  12  -0.236   6.310 -12.454
  103   HG21  THR  12          1HG2      THR  12  -0.139   6.228 -15.699
  104   HG22  THR  12          2HG2      THR  12  -1.693   7.061 -15.643
  105   HG23  THR  12          3HG2      THR  12  -1.620   5.355 -16.100
  106    H    GLN  13           H        GLN  13  -2.574   3.065 -13.067
  107    HA   GLN  13           HA       GLN  13  -3.787   2.067 -15.569
  108    HB2  GLN  13          2HB       GLN  13  -2.705  -0.079 -15.016
  109    HB3  GLN  13          1HB       GLN  13  -1.535   1.236 -15.003
  110    HG2  GLN  13          2HG       GLN  13  -1.624   1.304 -12.552
  111    HG3  GLN  13          1HG       GLN  13  -2.798  -0.007 -12.547
  112   HE21  GLN  13          1HE2      GLN  13  -1.478  -1.337 -11.328
  113   HE22  GLN  13          2HE2      GLN  13  -0.045  -2.073 -11.944
  114    H    PHE  14           H        PHE  14  -4.568   2.445 -12.257
  115    HA   PHE  14           HA       PHE  14  -6.446   0.170 -12.174
  116    HB2  PHE  14          2HB       PHE  14  -4.976   1.791 -10.078
  117    HB3  PHE  14          1HB       PHE  14  -6.585   1.228  -9.623
  118    HD1  PHE  14           HD1      PHE  14  -5.838  -0.309  -7.883
  119    HD2  PHE  14           HD2      PHE  14  -4.292  -0.670 -11.870
  120    HE1  PHE  14           HE1      PHE  14  -4.927  -2.529  -7.368
  121    HE2  PHE  14           HE2      PHE  14  -3.392  -2.869 -11.314
  122    HZ   PHE  14           HZ       PHE  14  -3.715  -3.804  -9.074
  123    H    LEU  15           H        LEU  15  -6.387   3.686 -12.170
  124    HA   LEU  15           HA       LEU  15  -9.370   3.757 -12.116
  125    HB2  LEU  15          2HB       LEU  15  -7.588   5.890 -10.879
  126    HB3  LEU  15          1HB       LEU  15  -9.325   5.714 -10.725
  127    HG   LEU  15           HG       LEU  15  -7.246   3.879  -9.463
  128   HD11  LEU  15          1HD1      LEU  15  -7.839   4.908  -7.363
  129   HD12  LEU  15          2HD1      LEU  15  -8.995   5.987  -8.140
  130   HD13  LEU  15          3HD1      LEU  15  -7.266   6.130  -8.484
  131   HD21  LEU  15          1HD2      LEU  15  -9.120   2.897  -8.195
  132   HD22  LEU  15          2HD2      LEU  15  -9.323   2.648  -9.924
  133   HD23  LEU  15          3HD2      LEU  15 -10.277   3.883  -9.097
  134    H    ASP  16           H        ASP  16  -7.024   4.016 -14.226
  135    HA   ASP  16           HA       ASP  16  -6.740   4.982 -16.248
  136    HB2  ASP  16          2HB       ASP  16  -9.269   4.827 -16.308
  137    HB3  ASP  16          1HB       ASP  16  -9.346   6.483 -15.739
  138    H    GLY  17           H        GLY  17  -5.830   6.311 -13.713
  139    HA2  GLY  17          2HA       GLY  17  -4.248   8.051 -13.508
  140    HA3  GLY  17          1HA       GLY  17  -4.985   8.904 -14.853
  141    H    GLU  18           H        GLU  18  -7.471   7.892 -12.941
  142    HA   GLU  18           HA       GLU  18  -7.828  10.553 -11.777
  143    HB2  GLU  18          2HB       GLU  18 -10.028  10.268 -12.313
  144    HB3  GLU  18          1HB       GLU  18  -9.618   8.742 -13.089
  145    HG2  GLU  18          2HG       GLU  18 -10.182   7.501 -11.084
  146    HG3  GLU  18          1HG       GLU  18 -10.364   8.990 -10.153
  147    H    LYS  19           H        LYS  19  -8.215  10.831  -9.518
  148    HA   LYS  19           HA       LYS  19  -7.584   8.547  -7.732
  149    HB2  LYS  19          2HB       LYS  19  -7.670  11.502  -7.037
  150    HB3  LYS  19          1HB       LYS  19  -7.140  10.179  -6.001
  151    HG2  LYS  19          2HG       LYS  19  -5.346   9.731  -7.820
  152    HG3  LYS  19          1HG       LYS  19  -5.733  11.348  -8.404
  153    HD2  LYS  19          2HD       LYS  19  -4.855  10.683  -5.584
  154    HD3  LYS  19          1HD       LYS  19  -3.770  11.251  -6.846
  155    HE2  LYS  19          2HE       LYS  19  -4.288  13.151  -5.461
  156    HE3  LYS  19          1HE       LYS  19  -5.170  13.374  -6.967
  157    HZ1  LYS  19          1HZ       LYS  19  -6.419  13.874  -4.876
  158    HZ2  LYS  19          2HZ       LYS  19  -6.419  12.218  -4.536
  159    HZ3  LYS  19          3HZ       LYS  19  -7.181  12.799  -5.927
  160    H    ASP  20           H        ASP  20  -9.452   7.521  -7.319
  161    HA   ASP  20           HA       ASP  20 -11.612   8.746  -5.895
  162    HB2  ASP  20          2HB       ASP  20 -12.212   9.481  -8.197
  163    HB3  ASP  20          1HB       ASP  20 -12.179   7.812  -8.742
  164    H    GLY  21           H        GLY  21 -12.361   7.228  -4.558
  165    HA2  GLY  21          2HA       GLY  21 -13.116   5.191  -3.757
  166    HA3  GLY  21          1HA       GLY  21 -12.691   4.428  -5.284
  167    H    LEU  22           H        LEU  22 -10.006   6.067  -4.626
  168    HA   LEU  22           HA       LEU  22  -8.702   4.018  -2.959
  169    HB2  LEU  22          2HB       LEU  22  -8.335   3.546  -5.376
  170    HB3  LEU  22          1HB       LEU  22  -7.778   5.186  -5.611
  171    HG   LEU  22           HG       LEU  22  -5.773   4.702  -4.185
  172   HD11  LEU  22          1HD1      LEU  22  -5.195   2.378  -3.596
  173   HD12  LEU  22          2HD1      LEU  22  -6.779   1.837  -4.157
  174   HD13  LEU  22          3HD1      LEU  22  -6.654   2.917  -2.769
  175   HD21  LEU  22          1HD2      LEU  22  -5.644   4.526  -6.624
  176   HD22  LEU  22          2HD2      LEU  22  -6.127   2.827  -6.543
  177   HD23  LEU  22          3HD2      LEU  22  -4.598   3.349  -5.839
  178    H    ASP  23           H        ASP  23  -8.344   5.255  -1.241
  179    HA   ASP  23           HA       ASP  23  -6.419   7.455  -1.446
  180    HB2  ASP  23          2HB       ASP  23  -9.057   7.599   0.071
  181    HB3  ASP  23          1HB       ASP  23  -7.679   8.556   0.593
  182    H    SER  24           H        SER  24  -5.748   8.007   0.932
  183    HA   SER  24           HA       SER  24  -4.294   5.798   1.847
  184    HB2  SER  24          2HB       SER  24  -3.671   7.365   3.744
  185    HB3  SER  24          1HB       SER  24  -3.440   8.040   2.129
  186    HG   SER  24           HG       SER  24  -4.991   8.943   4.119
  187    H    GLN  25           H        GLN  25  -7.178   7.346   3.098
  188    HA   GLN  25           HA       GLN  25  -7.300   5.642   5.470
  189    HB2  GLN  25          2HB       GLN  25  -9.016   8.007   4.620
  190    HB3  GLN  25          1HB       GLN  25  -9.043   7.227   6.200
  191    HG2  GLN  25          2HG       GLN  25  -6.727   7.932   6.619
  192    HG3  GLN  25          1HG       GLN  25  -6.637   8.661   5.016
  193   HE21  GLN  25          1HE2      GLN  25  -6.189   9.923   7.546
  194   HE22  GLN  25          2HE2      GLN  25  -7.327  11.215   7.665
  195    H    THR  26           H        THR  26  -8.586   5.728   2.335
  196    HA   THR  26           HA       THR  26 -11.210   4.729   2.704
  197    HB   THR  26           HB       THR  26  -9.389   4.626   0.258
  198    HG1  THR  26           HG1      THR  26 -10.619   6.653   1.492
  199   HG21  THR  26          1HG2      THR  26 -11.490   4.455  -1.046
  200   HG22  THR  26          2HG2      THR  26 -12.405   4.298   0.460
  201   HG23  THR  26          3HG2      THR  26 -11.252   3.048  -0.009
  202    HA   PRO  27           HA       PRO  27 -10.233   0.365   3.464
  203    HB2  PRO  27          2HB       PRO  27 -12.707  -0.728   3.016
  204    HB3  PRO  27          1HB       PRO  27 -12.330   0.203   4.491
  205    HG2  PRO  27          2HG       PRO  27 -13.727   1.138   1.987
  206    HG3  PRO  27          1HG       PRO  27 -14.180   1.424   3.680
  207    HD2  PRO  27          2HD       PRO  27 -12.873   3.298   2.231
  208    HD3  PRO  27          1HD       PRO  27 -12.568   3.107   3.965
  209    H    LEU  28           H        LEU  28  -8.901  -0.364   1.861
  210    HA   LEU  28           HA       LEU  28  -9.560  -0.334  -0.934
  211    HB2  LEU  28          2HB       LEU  28  -7.247  -1.790   0.397
  212    HB3  LEU  28          1HB       LEU  28  -7.353  -1.263  -1.275
  213    HG   LEU  28           HG       LEU  28  -6.989   0.490   1.180
  214   HD11  LEU  28          1HD1      LEU  28  -4.948  -0.617   0.467
  215   HD12  LEU  28          2HD1      LEU  28  -4.852   1.114   0.172
  216   HD13  LEU  28          3HD1      LEU  28  -5.145   0.010  -1.174
  217   HD21  LEU  28          1HD2      LEU  28  -7.439   1.402  -1.676
  218   HD22  LEU  28          2HD2      LEU  28  -6.902   2.436  -0.351
  219   HD23  LEU  28          3HD2      LEU  28  -8.493   1.687  -0.286
  220    H    PHE  29           H        PHE  29  -9.697  -2.608   1.684
  221    HA   PHE  29           HA       PHE  29 -10.021  -4.970   0.100
  222    HB2  PHE  29          2HB       PHE  29  -9.506  -4.399   2.885
  223    HB3  PHE  29          1HB       PHE  29 -10.974  -5.366   2.837
  224    HD1  PHE  29           HD1      PHE  29  -7.478  -5.228   1.593
  225    HD2  PHE  29           HD2      PHE  29 -10.806  -7.746   2.536
  226    HE1  PHE  29           HE1      PHE  29  -6.114  -7.205   1.237
  227    HE2  PHE  29           HE2      PHE  29  -9.405  -9.731   2.170
  228    HZ   PHE  29           HZ       PHE  29  -7.048  -9.460   1.517
  229    H    GLU  30           H        GLU  30 -12.185  -2.889   1.996
  230    HA   GLU  30           HA       GLU  30 -14.533  -4.426   1.650
  231    HB2  GLU  30          2HB       GLU  30 -14.276  -2.761   3.451
  232    HB3  GLU  30          1HB       GLU  30 -14.204  -1.455   2.273
  233    HG2  GLU  30          2HG       GLU  30 -16.397  -1.568   3.377
  234    HG3  GLU  30          1HG       GLU  30 -16.534  -1.859   1.644
  235    H    LEU  31           H        LEU  31 -13.095  -1.789  -0.194
  236    HA   LEU  31           HA       LEU  31 -15.332  -1.706  -2.094
  237    HB2  LEU  31          2HB       LEU  31 -12.793  -0.046  -2.079
  238    HB3  LEU  31          1HB       LEU  31 -14.221   0.229  -3.061
  239    HG   LEU  31           HG       LEU  31 -13.910   0.645  -0.074
  240   HD11  LEU  31          1HD1      LEU  31 -14.528   2.946  -0.578
  241   HD12  LEU  31          2HD1      LEU  31 -14.700   2.554  -2.291
  242   HD13  LEU  31          3HD1      LEU  31 -13.116   2.457  -1.514
  243   HD21  LEU  31          1HD2      LEU  31 -16.516   0.699  -1.637
  244   HD22  LEU  31          2HD2      LEU  31 -16.302   1.241   0.028
  245   HD23  LEU  31          3HD2      LEU  31 -16.070  -0.455  -0.376
  246    H    ASN  32           H        ASN  32 -12.423  -3.362  -1.728
  247    HA   ASN  32           HA       ASN  32 -11.374  -4.951  -2.955
  248    HB2  ASN  32          2HB       ASN  32 -13.639  -4.652  -4.979
  249    HB3  ASN  32          1HB       ASN  32 -12.592  -6.053  -4.799
  250   HD21  ASN  32          1HD2      ASN  32 -12.744  -6.220  -1.922
  251   HD22  ASN  32          2HD2      ASN  32 -14.358  -6.688  -1.538
  252    H    ILE  33           H        ILE  33 -10.839  -2.066  -3.445
  253    HA   ILE  33           HA       ILE  33 -10.673  -1.422  -6.179
  254    HB   ILE  33           HB       ILE  33  -9.072  -0.271  -3.857
  255   HG12  ILE  33          2HG1      ILE  33 -11.523  -0.116  -3.483
  256   HG13  ILE  33          1HG1      ILE  33 -10.816   1.476  -3.722
  257   HG21  ILE  33          1HG2      ILE  33  -9.594   0.941  -6.610
  258   HG22  ILE  33          2HG2      ILE  33  -8.039   0.371  -5.996
  259   HG23  ILE  33          3HG2      ILE  33  -8.817   1.769  -5.259
  260   HD11  ILE  33          1HD1      ILE  33 -12.359  -0.105  -5.774
  261   HD12  ILE  33          2HD1      ILE  33 -11.648   1.493  -6.024
  262   HD13  ILE  33          3HD1      ILE  33 -12.942   1.277  -4.849
  263    H    VAL  34           H        VAL  34  -8.126  -2.467  -3.918
  264    HA   VAL  34           HA       VAL  34  -6.161  -2.389  -6.097
  265    HB   VAL  34           HB       VAL  34  -5.677  -1.150  -3.988
  266   HG11  VAL  34          1HG1      VAL  34  -5.353  -3.878  -2.676
  267   HG12  VAL  34          2HG1      VAL  34  -6.639  -2.719  -2.333
  268   HG13  VAL  34          3HG1      VAL  34  -4.967  -2.318  -1.938
  269   HG21  VAL  34          1HG2      VAL  34  -3.824  -1.766  -5.473
  270   HG22  VAL  34          2HG2      VAL  34  -3.649  -3.317  -4.653
  271   HG23  VAL  34          3HG2      VAL  34  -3.292  -1.820  -3.789
  272    H    ASP  35           H        ASP  35  -4.992  -4.110  -6.766
  273    HA   ASP  35           HA       ASP  35  -5.838  -6.815  -6.022
  274    HB2  ASP  35          2HB       ASP  35  -4.040  -5.791  -8.254
  275    HB3  ASP  35          1HB       ASP  35  -4.454  -7.484  -8.006
  276    H    SER  36           H        SER  36  -4.152  -8.467  -5.859
  277    HA   SER  36           HA       SER  36  -2.345  -7.889  -3.753
  278    HB2  SER  36          2HB       SER  36  -1.930 -10.168  -3.665
  279    HB3  SER  36          1HB       SER  36  -3.551 -10.114  -4.341
  280    H    ALA  37           H        ALA  37  -2.011  -8.014  -7.200
  281    HA   ALA  37           HA       ALA  37   0.814  -8.171  -7.412
  282    HB1  ALA  37          1HB       ALA  37  -1.230  -7.178  -9.431
  283    HB2  ALA  37          2HB       ALA  37  -0.701  -8.849  -9.228
  284    HB3  ALA  37          3HB       ALA  37   0.442  -7.626  -9.786
  285    H    ALA  38           H        ALA  38  -1.451  -5.497  -7.087
  286    HA   ALA  38           HA       ALA  38   0.520  -3.426  -7.581
  287    HB1  ALA  38          1HB       ALA  38  -2.302  -3.206  -6.487
  288    HB2  ALA  38          2HB       ALA  38  -1.818  -3.006  -8.170
  289    HB3  ALA  38          3HB       ALA  38  -1.274  -1.850  -6.955
  290    H    ILE  39           H        ILE  39  -0.530  -5.333  -4.869
  291    HA   ILE  39           HA       ILE  39   0.156  -3.676  -2.698
  292    HB   ILE  39           HB       ILE  39   0.352  -6.714  -2.933
  293   HG12  ILE  39          2HG1      ILE  39  -1.925  -5.924  -3.261
  294   HG13  ILE  39          1HG1      ILE  39  -1.823  -6.715  -1.699
  295   HG21  ILE  39          1HG2      ILE  39   0.343  -6.802  -0.438
  296   HG22  ILE  39          2HG2      ILE  39   0.499  -5.046  -0.393
  297   HG23  ILE  39          3HG2      ILE  39   1.795  -6.026  -1.080
  298   HD11  ILE  39          1HD1      ILE  39  -1.792  -4.539  -0.605
  299   HD12  ILE  39          2HD1      ILE  39  -3.214  -4.753  -1.617
  300   HD13  ILE  39          3HD1      ILE  39  -1.887  -3.736  -2.176
  301    H    PHE  40           H        PHE  40   2.119  -5.932  -4.663
  302    HA   PHE  40           HA       PHE  40   4.574  -5.639  -3.307
  303    HB2  PHE  40          2HB       PHE  40   4.022  -7.470  -4.974
  304    HB3  PHE  40          1HB       PHE  40   4.195  -6.293  -6.272
  305    HD1  PHE  40           HD1      PHE  40   5.990  -8.286  -3.729
  306    HD2  PHE  40           HD2      PHE  40   6.460  -5.460  -6.923
  307    HE1  PHE  40           HE1      PHE  40   8.418  -8.693  -3.758
  308    HE2  PHE  40           HE2      PHE  40   8.887  -5.887  -6.939
  309    HZ   PHE  40           HZ       PHE  40   9.863  -7.506  -5.357
  310    H    ASP  41           H        ASP  41   2.982  -3.576  -5.672
  311    HA   ASP  41           HA       ASP  41   5.287  -1.932  -6.237
  312    HB2  ASP  41          2HB       ASP  41   3.331  -2.121  -7.797
  313    HB3  ASP  41          1HB       ASP  41   2.325  -1.290  -6.614
  314    H    LEU  42           H        LEU  42   2.484  -1.783  -4.049
  315    HA   LEU  42           HA       LEU  42   2.905   0.792  -2.975
  316    HB2  LEU  42          2HB       LEU  42   1.492  -1.611  -1.752
  317    HB3  LEU  42          1HB       LEU  42   1.380   0.029  -1.128
  318    HG   LEU  42           HG       LEU  42   0.404  -0.844  -3.880
  319   HD11  LEU  42          1HD1      LEU  42  -0.958  -1.859  -2.126
  320   HD12  LEU  42          2HD1      LEU  42  -1.864  -0.639  -3.013
  321   HD13  LEU  42          3HD1      LEU  42  -1.242  -0.270  -1.402
  322   HD21  LEU  42          1HD2      LEU  42   0.052   1.827  -2.469
  323   HD22  LEU  42          2HD2      LEU  42  -0.679   1.363  -4.007
  324   HD23  LEU  42          3HD2      LEU  42   1.069   1.512  -3.881
  325    H    VAL  43           H        VAL  43   4.230  -2.372  -2.093
  326    HA   VAL  43           HA       VAL  43   5.195  -1.716   0.479
  327    HB   VAL  43           HB       VAL  43   6.497  -3.699   0.501
  328   HG11  VAL  43          1HG1      VAL  43   4.092  -4.119   0.469
  329   HG12  VAL  43          2HG1      VAL  43   4.976  -5.461  -0.228
  330   HG13  VAL  43          3HG1      VAL  43   4.134  -4.328  -1.273
  331   HG21  VAL  43          1HG2      VAL  43   7.825  -3.468  -1.561
  332   HG22  VAL  43          2HG2      VAL  43   6.417  -3.872  -2.535
  333   HG23  VAL  43          3HG2      VAL  43   7.122  -5.082  -1.468
  334    H    ASP  44           H        ASP  44   6.581  -1.362  -2.773
  335    HA   ASP  44           HA       ASP  44   9.278  -0.879  -2.092
  336    HB2  ASP  44          2HB       ASP  44   8.449  -1.422  -4.400
  337    HB3  ASP  44          1HB       ASP  44   7.736   0.167  -4.518
  338    H    PHE  45           H        PHE  45   6.467   1.208  -2.451
  339    HA   PHE  45           HA       PHE  45   7.823   3.660  -2.304
  340    HB2  PHE  45          2HB       PHE  45   5.507   3.330  -3.230
  341    HB3  PHE  45          1HB       PHE  45   4.918   3.070  -1.592
  342    HD1  PHE  45           HD1      PHE  45   6.186   5.575  -3.991
  343    HD2  PHE  45           HD2      PHE  45   4.695   4.966  -0.011
  344    HE1  PHE  45           HE1      PHE  45   5.891   8.000  -3.713
  345    HE2  PHE  45           HE2      PHE  45   4.419   7.396   0.243
  346    HZ   PHE  45           HZ       PHE  45   5.017   8.906  -1.602
  347    H    LEU  46           H        LEU  46   6.185   1.622   0.136
  348    HA   LEU  46           HA       LEU  46   6.557   3.298   2.399
  349    HB2  LEU  46          2HB       LEU  46   6.283   0.279   2.229
  350    HB3  LEU  46          1HB       LEU  46   6.090   1.226   3.697
  351    HG   LEU  46           HG       LEU  46   4.295   1.420   1.241
  352   HD11  LEU  46          1HD1      LEU  46   3.683   0.141   3.912
  353   HD12  LEU  46          2HD1      LEU  46   4.031  -0.717   2.409
  354   HD13  LEU  46          3HD1      LEU  46   2.594   0.290   2.529
  355   HD21  LEU  46          1HD2      LEU  46   2.814   2.821   2.635
  356   HD22  LEU  46          2HD2      LEU  46   4.389   3.571   2.401
  357   HD23  LEU  46          3HD2      LEU  46   4.009   2.794   3.940
  358    H    ARG  47           H        ARG  47   8.582   0.849   0.890
  359    HA   ARG  47           HA       ARG  47  10.597   0.599   2.885
  360    HB2  ARG  47          2HB       ARG  47  10.620   0.115  -0.130
  361    HB3  ARG  47          1HB       ARG  47  11.965  -0.314   0.928
  362    HG2  ARG  47          2HG       ARG  47  10.685  -1.982   2.060
  363    HG3  ARG  47          1HG       ARG  47   9.173  -1.414   1.340
  364    HD2  ARG  47          2HD       ARG  47   9.858  -3.449   0.243
  365    HD3  ARG  47          1HD       ARG  47  10.010  -2.114  -0.892
  366    HE   ARG  47           HE       ARG  47  12.502  -2.263   0.044
  367   HH11  ARG  47          1HH1      ARG  47  10.362  -4.800  -1.093
  368   HH12  ARG  47          2HH1      ARG  47  11.657  -5.796  -1.667
  369   HH21  ARG  47          1HH2      ARG  47  14.189  -3.574  -0.777
  370   HH22  ARG  47          2HH2      ARG  47  13.810  -5.112  -1.491
  371    H    GLN  48           H        GLN  48  10.036   2.731   0.200
  372    HA   GLN  48           HA       GLN  48  12.608   3.887  -0.096
  373    HB2  GLN  48          2HB       GLN  48  10.790   3.830  -1.841
  374    HB3  GLN  48          1HB       GLN  48   9.871   4.993  -0.896
  375    HG2  GLN  48          2HG       GLN  48  11.745   6.627  -1.203
  376    HG3  GLN  48          1HG       GLN  48  12.538   5.454  -2.253
  377   HE21  GLN  48          1HE2      GLN  48   9.048   6.128  -2.150
  378   HE22  GLN  48          2HE2      GLN  48   8.956   6.756  -3.753
  379    H    GLU  49           H        GLU  49   9.634   4.883   1.540
  380    HA   GLU  49           HA       GLU  49  10.694   7.404   2.464
  381    HB2  GLU  49          2HB       GLU  49   8.059   6.039   3.147
  382    HB3  GLU  49          1HB       GLU  49   8.458   7.729   3.444
  383    HG2  GLU  49          2HG       GLU  49   8.022   6.372   0.773
  384    HG3  GLU  49          1HG       GLU  49   7.040   7.633   1.515
  385    H    SER  50           H        SER  50   9.556   4.404   4.035
  386    HA   SER  50           HA       SER  50  10.318   5.360   6.667
  387    HB2  SER  50          2HB       SER  50   9.130   2.690   5.832
  388    HB3  SER  50          1HB       SER  50   9.272   3.298   7.483
  389    HG   SER  50           HG       SER  50   8.019   5.184   6.525
  390    H    LYS  51           H        LYS  51  12.157   4.021   4.262
  391    HA   LYS  51           HA       LYS  51  14.365   3.495   4.204
  392    HB2  LYS  51          2HB       LYS  51  14.252   4.267   7.156
  393    HB3  LYS  51          1HB       LYS  51  15.730   4.082   6.229
  394    HG2  LYS  51          2HG       LYS  51  13.592   6.124   5.549
  395    HG3  LYS  51          1HG       LYS  51  14.954   6.461   6.615
  396    HD2  LYS  51          2HD       LYS  51  15.151   5.636   3.697
  397    HD3  LYS  51          1HD       LYS  51  15.369   7.269   4.329
  398    HE2  LYS  51          2HE       LYS  51  17.144   4.865   4.904
  399    HE3  LYS  51          1HE       LYS  51  17.553   6.260   3.909
  400    HZ1  LYS  51          1HZ       LYS  51  18.537   6.410   6.114
  401    HZ2  LYS  51          2HZ       LYS  51  17.007   6.327   6.821
  402    HZ3  LYS  51          3HZ       LYS  51  17.417   7.652   5.865
  403    H    VAL  52           H        VAL  52  12.664   1.307   4.445
  404    HA   VAL  52           HA       VAL  52  14.211  -0.620   6.068
  405    HB   VAL  52           HB       VAL  52  12.225   0.146   7.423
  406   HG11  VAL  52          1HG1      VAL  52  10.598   0.565   5.614
  407   HG12  VAL  52          2HG1      VAL  52   9.923  -0.544   6.808
  408   HG13  VAL  52          3HG1      VAL  52  10.516  -1.164   5.267
  409   HG21  VAL  52          1HG2      VAL  52  13.200  -2.080   7.864
  410   HG22  VAL  52          2HG2      VAL  52  12.136  -2.801   6.653
  411   HG23  VAL  52          3HG2      VAL  52  11.454  -2.102   8.121
  412    H    SER  53           H        SER  53  13.972  -2.809   5.361
  413    HA   SER  53           HA       SER  53  12.968  -3.218   2.610
  414    HB2  SER  53          2HB       SER  53  14.361  -5.339   2.750
  415    HB3  SER  53          1HB       SER  53  15.314  -3.867   2.938
  416    HG   SER  53           HG       SER  53  14.651  -5.826   4.830
  417    H    ILE  54           H        ILE  54  11.450  -4.836   2.207
  418    HA   ILE  54           HA       ILE  54  10.311  -6.325   4.492
  419    HB   ILE  54           HB       ILE  54   8.789  -4.424   3.814
  420   HG12  ILE  54          2HG1      ILE  54   7.678  -7.226   3.335
  421   HG13  ILE  54          1HG1      ILE  54   7.807  -6.421   4.892
  422   HG21  ILE  54          1HG2      ILE  54   7.578  -4.475   1.686
  423   HG22  ILE  54          2HG2      ILE  54   8.457  -5.921   1.190
  424   HG23  ILE  54          3HG2      ILE  54   9.313  -4.395   1.389
  425   HD11  ILE  54          1HD1      ILE  54   6.024  -5.580   2.608
  426   HD12  ILE  54          2HD1      ILE  54   6.140  -4.776   4.177
  427   HD13  ILE  54          3HD1      ILE  54   5.529  -6.428   4.071
  428    H    GLY  55           H        GLY  55   9.705  -8.433   4.021
  429    HA2  GLY  55          2HA       GLY  55  10.678  -9.578   1.481
  430    HA3  GLY  55          1HA       GLY  55  10.368 -10.449   2.973
  431    H    MET  56           H        MET  56   9.367 -11.326   0.481
  432    HA   MET  56           HA       MET  56   6.770 -10.331  -0.113
  433    HB2  MET  56          2HB       MET  56   8.091 -12.921  -0.980
  434    HB3  MET  56          1HB       MET  56   6.606 -12.274  -1.667
  435    HG2  MET  56          2HG       MET  56   7.938 -10.215  -2.342
  436    HG3  MET  56          1HG       MET  56   9.390 -11.093  -1.863
  437    HE1  MET  56          1HE       MET  56   6.585 -10.598  -4.489
  438    HE2  MET  56          2HE       MET  56   6.063 -12.149  -3.821
  439    HE3  MET  56          3HE       MET  56   6.686 -12.062  -5.466
  440    H    GLN  57           H        GLN  57   7.746 -12.325   2.431
  441    HA   GLN  57           HA       GLN  57   5.340 -13.898   2.704
  442    HB2  GLN  57          2HB       GLN  57   7.552 -13.280   4.712
  443    HB3  GLN  57          1HB       GLN  57   6.288 -14.489   4.934
  444    HG2  GLN  57          2HG       GLN  57   7.143 -15.733   2.964
  445    HG3  GLN  57          1HG       GLN  57   8.437 -14.546   2.784
  446   HE21  GLN  57          1HE2      GLN  57  10.173 -14.610   4.248
  447   HE22  GLN  57          2HE2      GLN  57  10.434 -15.938   5.319
  448    H    GLU  58           H        GLU  58   6.572 -10.810   3.990
  449    HA   GLU  58           HA       GLU  58   4.189 -10.337   5.623
  450    HB2  GLU  58          2HB       GLU  58   6.374  -8.312   4.951
  451    HB3  GLU  58          1HB       GLU  58   5.181  -8.195   6.232
  452    HG2  GLU  58          2HG       GLU  58   6.997  -8.833   7.489
  453    HG3  GLU  58          1HG       GLU  58   6.376 -10.430   7.074
  454    H    ILE  59           H        ILE  59   5.402  -9.587   2.417
  455    HA   ILE  59           HA       ILE  59   3.504  -7.570   1.675
  456    HB   ILE  59           HB       ILE  59   4.917  -9.606  -0.128
  457   HG12  ILE  59          2HG1      ILE  59   5.706  -6.737   0.575
  458   HG13  ILE  59          1HG1      ILE  59   6.524  -8.191   1.126
  459   HG21  ILE  59          1HG2      ILE  59   2.965  -8.675  -1.295
  460   HG22  ILE  59          2HG2      ILE  59   4.456  -8.066  -2.027
  461   HG23  ILE  59          3HG2      ILE  59   3.510  -7.028  -0.949
  462   HD11  ILE  59          1HD1      ILE  59   7.775  -7.148  -0.628
  463   HD12  ILE  59          2HD1      ILE  59   6.379  -7.172  -1.702
  464   HD13  ILE  59          3HD1      ILE  59   7.144  -8.688  -1.213
  465    H    HIS  60           H        HIS  60   1.515  -8.443   2.563
  466    HA   HIS  60           HA       HIS  60   0.117  -9.916   0.461
  467    HB2  HIS  60          2HB       HIS  60  -1.156 -11.294   2.175
  468    HB3  HIS  60          1HB       HIS  60   0.511 -11.777   1.914
  469    HD1  HIS  60           HD1      HIS  60   2.082 -11.686   3.871
  470    HD2  HIS  60           HD2      HIS  60  -1.649 -10.084   4.693
  471    HE1  HIS  60           HE1      HIS  60   2.039 -11.351   6.355
  472    HE2  HIS  60           HE2      HIS  60  -0.294 -10.552   6.848
  473    HA   PRO  61           HA       PRO  61  -2.564  -6.552   0.751
  474    HB2  PRO  61          2HB       PRO  61  -5.031  -7.572  -0.002
  475    HB3  PRO  61          1HB       PRO  61  -3.678  -7.391  -1.133
  476    HG2  PRO  61          2HG       PRO  61  -4.556  -9.847   0.362
  477    HG3  PRO  61          1HG       PRO  61  -4.127  -9.676  -1.358
  478    HD2  PRO  61          2HD       PRO  61  -2.358 -10.662   0.431
  479    HD3  PRO  61          1HD       PRO  61  -1.813  -9.628  -0.907
  480    H    ALA  62           H        ALA  62  -3.372  -9.225   2.883
  481    HA   ALA  62           HA       ALA  62  -5.562  -8.200   4.316
  482    HB1  ALA  62          1HB       ALA  62  -4.740 -10.511   4.573
  483    HB2  ALA  62          2HB       ALA  62  -4.882  -9.716   6.140
  484    HB3  ALA  62          3HB       ALA  62  -3.294  -9.916   5.392
  485    H    ASN  63           H        ASN  63  -2.117  -7.542   4.628
  486    HA   ASN  63           HA       ASN  63  -2.356  -5.857   6.992
  487    HB2  ASN  63          2HB       ASN  63  -0.012  -6.537   5.143
  488    HB3  ASN  63          1HB       ASN  63   0.129  -5.505   6.569
  489   HD21  ASN  63          1HD2      ASN  63   1.733  -7.084   7.232
  490   HD22  ASN  63          2HD2      ASN  63   1.207  -8.514   8.036
  491    H    PHE  64           H        PHE  64  -2.262  -5.522   3.542
  492    HA   PHE  64           HA       PHE  64  -1.921  -2.601   3.591
  493    HB2  PHE  64          2HB       PHE  64  -1.847  -4.653   1.322
  494    HB3  PHE  64          1HB       PHE  64  -1.699  -2.915   1.071
  495    HD1  PHE  64           HD1      PHE  64  -0.107  -5.775   2.894
  496    HD2  PHE  64           HD2      PHE  64   0.459  -1.910   1.132
  497    HE1  PHE  64           HE1      PHE  64   2.309  -5.962   3.255
  498    HE2  PHE  64           HE2      PHE  64   2.883  -2.104   1.523
  499    HZ   PHE  64           HZ       PHE  64   3.795  -4.132   2.582
  500    H    ALA  65           H        ALA  65  -4.360  -4.169   4.431
  501    HA   ALA  65           HA       ALA  65  -6.517  -4.048   2.688
  502    HB1  ALA  65          1HB       ALA  65  -6.546  -5.213   4.859
  503    HB2  ALA  65          2HB       ALA  65  -7.929  -4.129   4.700
  504    HB3  ALA  65          3HB       ALA  65  -6.551  -3.662   5.701
  505    H    THR  66           H        THR  66  -5.103  -1.495   4.684
  506    HA   THR  66           HA       THR  66  -6.277   0.532   2.919
  507    HB   THR  66           HB       THR  66  -6.631   2.150   4.780
  508    HG1  THR  66           HG1      THR  66  -6.486   0.088   6.688
  509   HG21  THR  66          1HG2      THR  66  -8.669   1.236   5.823
  510   HG22  THR  66          2HG2      THR  66  -8.240  -0.380   5.262
  511   HG23  THR  66          3HG2      THR  66  -8.626   0.885   4.094
  512    H    VAL  67           H        VAL  67  -4.912   2.600   3.103
  513    HA   VAL  67           HA       VAL  67  -2.110   1.977   3.308
  514    HB   VAL  67           HB       VAL  67  -3.411   4.701   3.027
  515   HG11  VAL  67          1HG1      VAL  67  -0.526   3.914   2.489
  516   HG12  VAL  67          2HG1      VAL  67  -1.107   4.953   3.792
  517   HG13  VAL  67          3HG1      VAL  67  -1.244   5.487   2.119
  518   HG21  VAL  67          1HG2      VAL  67  -2.989   4.496   0.589
  519   HG22  VAL  67          2HG2      VAL  67  -4.080   3.240   1.172
  520   HG23  VAL  67          3HG2      VAL  67  -2.391   2.851   0.835
  521    H    GLN  68           H        GLN  68  -4.510   3.351   5.464
  522    HA   GLN  68           HA       GLN  68  -2.827   4.259   7.538
  523    HB2  GLN  68          2HB       GLN  68  -5.312   4.657   7.436
  524    HB3  GLN  68          1HB       GLN  68  -5.578   2.956   7.804
  525    HG2  GLN  68          2HG       GLN  68  -5.890   4.306   9.814
  526    HG3  GLN  68          1HG       GLN  68  -4.478   3.264  10.009
  527   HE21  GLN  68          1HE2      GLN  68  -3.637   4.631  11.632
  528   HE22  GLN  68          2HE2      GLN  68  -2.942   6.171  11.273
  529    H    SER  69           H        SER  69  -4.194   1.038   6.838
  530    HA   SER  69           HA       SER  69  -3.149  -0.314   9.108
  531    HB2  SER  69          2HB       SER  69  -4.051  -1.443   6.416
  532    HB3  SER  69          1HB       SER  69  -3.739  -2.403   7.867
  533    HG   SER  69           HG       SER  69  -5.412  -0.367   8.428
  534    H    MET  70           H        MET  70  -1.945   0.219   5.810
  535    HA   MET  70           HA       MET  70   0.178  -1.716   6.000
  536    HB2  MET  70          2HB       MET  70   0.660  -1.268   3.750
  537    HB3  MET  70          1HB       MET  70  -1.076  -0.984   3.837
  538    HG2  MET  70          2HG       MET  70  -0.671   1.430   3.866
  539    HG3  MET  70          1HG       MET  70   1.064   1.163   3.833
  540    HE1  MET  70          1HE       MET  70  -2.305   0.926   1.685
  541    HE2  MET  70          2HE       MET  70  -1.792  -0.759   1.831
  542    HE3  MET  70          3HE       MET  70  -1.704   0.058   0.271
  543    H    VAL  71           H        VAL  71  -0.132   1.795   6.405
  544    HA   VAL  71           HA       VAL  71   2.643   2.443   6.493
  545    HB   VAL  71           HB       VAL  71   0.400   3.992   6.400
  546   HG11  VAL  71          1HG1      VAL  71  -0.331   3.648   8.701
  547   HG12  VAL  71          2HG1      VAL  71   0.029   5.348   8.395
  548   HG13  VAL  71          3HG1      VAL  71   1.178   4.355   9.287
  549   HG21  VAL  71          1HG2      VAL  71   3.070   4.979   7.473
  550   HG22  VAL  71          2HG2      VAL  71   1.833   5.997   6.732
  551   HG23  VAL  71          3HG2      VAL  71   2.651   4.769   5.767
  552    H    ALA  72           H        ALA  72   0.259   1.426   8.800
  553    HA   ALA  72           HA       ALA  72   1.792   1.882  11.181
  554    HB1  ALA  72          1HB       ALA  72  -0.800   0.368  10.768
  555    HB2  ALA  72          2HB       ALA  72  -0.671   2.106  11.050
  556    HB3  ALA  72          3HB       ALA  72  -0.162   0.957  12.306
  557    H    LEU  73           H        LEU  73   1.074  -0.830   9.037
  558    HA   LEU  73           HA       LEU  73   2.117  -3.000  10.485
  559    HB2  LEU  73          2HB       LEU  73   0.979  -3.743   8.581
  560    HB3  LEU  73          1HB       LEU  73   1.465  -2.351   7.629
  561    HG   LEU  73           HG       LEU  73   3.806  -3.452   7.524
  562   HD11  LEU  73          1HD1      LEU  73   3.556  -5.100   9.270
  563   HD12  LEU  73          2HD1      LEU  73   3.922  -5.881   7.736
  564   HD13  LEU  73          3HD1      LEU  73   2.273  -5.920   8.369
  565   HD21  LEU  73          1HD2      LEU  73   2.355  -3.226   5.615
  566   HD22  LEU  73          2HD2      LEU  73   1.520  -4.722   6.027
  567   HD23  LEU  73          3HD2      LEU  73   3.221  -4.757   5.563
  568    H    VAL  74           H        VAL  74   3.549  -0.679   8.199
  569    HA   VAL  74           HA       VAL  74   6.137  -1.707   8.137
  570    HB   VAL  74           HB       VAL  74   5.259   1.191   7.768
  571   HG11  VAL  74          1HG1      VAL  74   7.959  -0.079   7.122
  572   HG12  VAL  74          2HG1      VAL  74   7.655   1.158   8.343
  573   HG13  VAL  74          3HG1      VAL  74   7.455   1.543   6.636
  574   HG21  VAL  74          1HG2      VAL  74   4.306  -0.390   6.113
  575   HG22  VAL  74          2HG2      VAL  74   5.921  -0.951   5.702
  576   HG23  VAL  74          3HG2      VAL  74   5.449   0.713   5.345
  577    H    GLN  75           H        GLN  75   4.700   0.738  10.323
  578    HA   GLN  75           HA       GLN  75   7.064   1.334  11.774
  579    HB2  GLN  75          2HB       GLN  75   4.252   1.449  12.954
  580    HB3  GLN  75          1HB       GLN  75   5.643   2.434  13.381
  581    HG2  GLN  75          2HG       GLN  75   3.940   2.600  10.897
  582    HG3  GLN  75          1HG       GLN  75   4.146   3.822  12.145
  583   HE21  GLN  75          1HE2      GLN  75   4.547   3.911   9.204
  584   HE22  GLN  75          2HE2      GLN  75   6.158   4.494   8.985
  585    H    ARG  76           H        ARG  76   4.782  -1.348  12.032
  586    HA   ARG  76           HA       ARG  76   5.662  -2.360  14.562
  587    HB2  ARG  76          2HB       ARG  76   4.256  -3.803  12.291
  588    HB3  ARG  76          1HB       ARG  76   4.494  -4.442  13.916
  589    HG2  ARG  76          2HG       ARG  76   3.160  -2.452  14.787
  590    HG3  ARG  76          1HG       ARG  76   2.776  -2.081  13.108
  591    HD2  ARG  76          2HD       ARG  76   0.940  -3.295  14.106
  592    HD3  ARG  76          1HD       ARG  76   1.710  -4.332  12.897
  593    HE   ARG  76           HE       ARG  76   2.957  -5.011  15.243
  594   HH11  ARG  76          1HH1      ARG  76  -0.417  -4.972  14.233
  595   HH12  ARG  76          2HH1      ARG  76  -0.864  -6.268  15.291
  596   HH21  ARG  76          1HH2      ARG  76   2.341  -6.690  16.616
  597   HH22  ARG  76          2HH2      ARG  76   0.693  -7.240  16.641
  598    H    LEU  77           H        LEU  77   6.363  -3.353  11.150
  599    HA   LEU  77           HA       LEU  77   8.321  -5.294  11.923
  600    HB2  LEU  77          2HB       LEU  77   8.821  -5.528   9.486
  601    HB3  LEU  77          1HB       LEU  77   7.131  -5.723   9.891
  602    HG   LEU  77           HG       LEU  77   6.767  -3.329   9.072
  603   HD11  LEU  77          1HD1      LEU  77   8.370  -2.394   7.433
  604   HD12  LEU  77          2HD1      LEU  77   9.552  -3.620   7.905
  605   HD13  LEU  77          3HD1      LEU  77   9.001  -2.415   9.081
  606   HD21  LEU  77          1HD2      LEU  77   7.644  -5.402   7.052
  607   HD22  LEU  77          2HD2      LEU  77   6.625  -3.996   6.722
  608   HD23  LEU  77          3HD2      LEU  77   6.053  -5.258   7.806
  609    H    LYS  78           H        LYS  78   8.476  -1.898  11.552
  610    HA   LYS  78           HA       LYS  78  11.177  -1.451  10.890
  611    HB2  LYS  78          2HB       LYS  78   9.128   0.090  12.499
  612    HB3  LYS  78          1HB       LYS  78  10.774   0.687  12.383
  613    HG2  LYS  78          2HG       LYS  78   8.982   0.156   9.993
  614    HG3  LYS  78          1HG       LYS  78   9.168   1.732  10.755
  615    HD2  LYS  78          2HD       LYS  78  11.418   0.131   9.488
  616    HD3  LYS  78          1HD       LYS  78  10.560   1.462   8.711
  617    HE2  LYS  78          2HE       LYS  78  12.129   1.713  11.294
  618    HE3  LYS  78          1HE       LYS  78  12.743   2.154   9.700
  619    HZ1  LYS  78          1HZ       LYS  78  10.974   3.783   9.513
  620    HZ2  LYS  78          2HZ       LYS  78  11.911   4.068  10.885
  621    HZ3  LYS  78          3HZ       LYS  78  10.391   3.356  11.042
  622    H    ALA  79           H        ALA  79   9.636  -2.486  13.813
  623    HA   ALA  79           HA       ALA  79  12.017  -2.150  15.482
  624    HB1  ALA  79          1HB       ALA  79   9.199  -3.021  16.221
  625    HB2  ALA  79          2HB       ALA  79   9.847  -1.387  16.378
  626    HB3  ALA  79          3HB       ALA  79  10.511  -2.698  17.355
  627    H    HIS  80           H        HIS  80  11.347  -4.395  13.254
  628    HA   HIS  80           HA       HIS  80  11.234  -6.890  14.479
  629    HB2  HIS  80          2HB       HIS  80  12.282  -7.868  12.417
  630    HB3  HIS  80          1HB       HIS  80  10.964  -6.768  12.067
  631    HD1  HIS  80           HD1      HIS  80  11.532  -5.958   9.816
  632    HD2  HIS  80           HD2      HIS  80  14.821  -5.707  12.339
  633    HE1  HIS  80           HE1      HIS  80  13.300  -4.772   8.496
  634    HE2  HIS  80           HE2      HIS  80  15.260  -4.590  10.064
  635    HA   PRO  81           HA       PRO  81  15.189  -7.384  16.618
  636    HB2  PRO  81          2HB       PRO  81  14.865 -10.329  16.108
  637    HB3  PRO  81          1HB       PRO  81  14.984  -9.456  17.650
  638    HG2  PRO  81          2HG       PRO  81  12.650 -10.508  16.842
  639    HG3  PRO  81          1HG       PRO  81  12.716  -8.963  17.722
  640    HD2  PRO  81          2HD       PRO  81  12.348  -9.430  14.762
  641    HD3  PRO  81          1HD       PRO  81  11.526  -8.268  15.835
  642    H    GLU  82           H        GLU  82  14.526  -9.158  13.657
  643    HA   GLU  82           HA       GLU  82  17.128  -8.677  12.478
  644    HB2  GLU  82          2HB       GLU  82  17.581 -11.099  12.135
  645    HB3  GLU  82          1HB       GLU  82  17.558 -10.673  13.843
  646    HG2  GLU  82          2HG       GLU  82  15.221 -11.543  14.002
  647    HG3  GLU  82          1HG       GLU  82  15.333 -12.067  12.324
  648    H    GLN  83           H        GLN  83  17.111  -9.895  10.272
  649    HA   GLN  83           HA       GLN  83  14.594 -10.724   9.153
  650    HB2  GLN  83          2HB       GLN  83  15.576  -7.969   8.653
  651    HB3  GLN  83          1HB       GLN  83  15.404  -8.857   7.149
  652    HG2  GLN  83          2HG       GLN  83  13.215  -8.481   9.215
  653    HG3  GLN  83          1HG       GLN  83  13.384  -7.542   7.733
  654   HE21  GLN  83          1HE2      GLN  83  11.176  -9.280   8.635
  655   HE22  GLN  83          2HE2      GLN  83  10.938 -10.419   7.361
  656    H    GLY  84           H        GLY  84  15.026 -11.131   6.662
  657    HA2  GLY  84          2HA       GLY  84  17.750 -12.305   6.303
  658    HA3  GLY  84          1HA       GLY  84  16.275 -13.147   5.836
  659    H    GLY  85           H        GLY  85  15.723 -12.963   3.736
  660    HA2  GLY  85          2HA       GLY  85  15.228 -11.927   1.714
  661    HA3  GLY  85          1HA       GLY  85  15.993 -10.446   2.271
  662    H    ALA  86           H        ALA  86  18.442 -10.725   2.634
  663    HA   ALA  86           HA       ALA  86  19.685 -11.745   0.192
  664    HB1  ALA  86          1HB       ALA  86  21.696 -10.541   0.961
  665    HB2  ALA  86          2HB       ALA  86  20.912 -10.172   2.501
  666    HB3  ALA  86          3HB       ALA  86  20.287  -9.480   1.004
  667    H    ALA  87           H        ALA  87  21.804 -12.911   0.412
  668    HA   ALA  87           HA       ALA  87  22.043 -14.711   2.741
  669    HB1  ALA  87          1HB       ALA  87  22.256 -16.690   1.281
  670    HB2  ALA  87          2HB       ALA  87  21.926 -15.702  -0.145
  671    HB3  ALA  87          3HB       ALA  87  20.674 -15.938   1.076
  672    H    LEU  88           H        LEU  88  23.891 -13.594   3.331
  673    HA   LEU  88           HA       LEU  88  26.022 -12.805   1.792
  674    HB2  LEU  88          2HB       LEU  88  27.350 -12.609   3.767
  675    HB3  LEU  88          1HB       LEU  88  25.708 -12.130   4.145
  676    HG   LEU  88           HG       LEU  88  26.982 -14.787   4.914
  677   HD11  LEU  88          1HD1      LEU  88  27.000 -13.942   7.200
  678   HD12  LEU  88          2HD1      LEU  88  26.388 -12.380   6.644
  679   HD13  LEU  88          3HD1      LEU  88  27.978 -12.948   6.129
  680   HD21  LEU  88          1HD2      LEU  88  24.272 -13.709   5.770
  681   HD22  LEU  88          2HD2      LEU  88  25.009 -15.229   6.289
  682   HD23  LEU  88          3HD2      LEU  88  24.544 -15.006   4.602
  683    H    GLU  89           H        GLU  89  27.756 -13.744   0.869
  684    HA   GLU  89           HA       GLU  89  27.696 -16.672   0.703
  685    HB2  GLU  89          2HB       GLU  89  29.353 -16.104  -1.319
  686    HB3  GLU  89          1HB       GLU  89  27.616 -15.949  -1.479
  687    HG2  GLU  89          2HG       GLU  89  28.694 -14.074  -2.540
  688    HG3  GLU  89          1HG       GLU  89  27.777 -13.527  -1.144
  689   H282  PNS 101          3H28      PNS 136  -0.902 -12.738  -2.972
  690   H281  PNS 101          2H28      PNS 136  -0.529 -11.029  -3.107
  691   H303  PNS 101          3H51      PNS 136   0.690 -11.123  -0.994
  692   H302  PNS 101          2H51      PNS 136   0.347 -12.849  -0.851
  693   H301  PNS 101          1H51      PNS 136   2.022 -12.268  -0.759
  694   H313  PNS 101          3H52      PNS 136   3.121 -11.274  -2.824
  695   H312  PNS 101          2H52      PNS 136   1.759 -10.172  -2.955
  696   H311  PNS 101          1H52      PNS 136   2.221 -11.174  -4.341
  697    H32  PNS 101           H32      PNS 136   2.664 -13.824  -2.486
  698    H33  PNS 101           H33      PNS 136   0.039 -14.611  -3.238
  699    H36  PNS 101           H36      PNS 136   3.847 -13.076  -4.137
  700   H372  PNS 101          3H37      PNS 136   4.961 -13.603  -6.066
  701   H371  PNS 101          2H37      PNS 136   3.449 -14.119  -6.835
  702   H382  PNS 101          3H38      PNS 136   2.653 -11.783  -6.832
  703   H381  PNS 101          2H38      PNS 136   4.105 -11.268  -5.977
  704    H41  PNS 101           H41      PNS 136   5.003  -9.968  -7.242
  705   H422  PNS 101          3H42      PNS 136   5.026  -9.463  -9.847
  706   H421  PNS 101          2H42      PNS 136   6.270 -10.711  -9.700
  707   H431  PNS 101          2H43      PNS 136   7.260  -8.443  -9.458
  708   H432  PNS 101          3H43      PNS 136   6.160  -8.125  -8.092
  709    H44  PNS 101           H44      PNS 136   8.517 -10.596  -8.156