*HEADER    DNA BINDING PROTEIN                     11-APR-03   1P1A              
*TITLE     NMR STRUCTURE OF UBIQUITIN-LIKE DOMAIN OF HHR23B                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: UV EXCISION REPAIR PROTEIN RAD23 HOMOLOG B;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UBIQUITIN-LIKE DOMAIN;                                     
*COMPND   5 SYNONYM: RAD23, HHR23B;                                              
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: HHR23B;                                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21 DE3;                                  
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    UBIQUITIN-LIKE                                                        
*EXPDTA    NMR, 14 STRUCTURES                                                    
*AUTHOR    K.S.RYU, K.J.LEE, S.H.BAE, B.K.KIM, K.A.KIM, B.S.CHOI                 
*REVDAT   1   13-JUL-04 1P1A    0                                                

# 1371 atoms read from pdb file ref_ubl_rst.pdb.
# 4 MET PHI:  (3 HID C)-(4 MET N)-(4 MET CA)-(4 MET C) -140.0 -100.0
 &rst     iat =    36,    38,    40,    53,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
   rk2 = 100.0, rk3 = 100.0,    &end

# 5 GLN PHI:  (4 MET C)-(5 GLN N)-(5 GLN CA)-(5 GLN C) -140.0 -100.0
 &rst     iat =    53,    55,    57,    70,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 6 VAL PHI:  (5 GLN C)-(6 VAL N)-(6 VAL CA)-(6 VAL C) -140.0 -100.0
 &rst     iat =    70,    72,    74,    86,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 7 THR PHI:  (6 VAL C)-(7 THR N)-(7 THR CA)-(7 THR C) -140.0 -100.0
 &rst     iat =    86,    88,    90,   100,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 8 LEU PHI:  (7 THR C)-(8 LEU N)-(8 LEU CA)-(8 LEU C) -140.0 -100.0
 &rst     iat =   100,   102,   104,   119,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 9 LYS PHI:  (8 LEU C)-(9 LYS N)-(9 LYS CA)-(9 LYS C) -140.0 -100.0
 &rst     iat =   119,   121,   123,   141,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 10 THR PHI:  (9 LYS C)-(10 THR N)-(10 THR CA)-(10 THR C) -140.0 -100.0
 &rst     iat =   141,   143,   145,   155,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 11 LEU PHI:  (10 THR C)-(11 LEU N)-(11 LEU CA)-(11 LEU C) -80.0 -40.0
 &rst     iat =   155,   157,   159,   174,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 12 GLN PHI:  (11 LEU C)-(12 GLN N)-(12 GLN CA)-(12 GLN C) -140.0 -80.0
 &rst     iat =   174,   176,   178,   191,
   r1 = -141.0, r2 = -140.0, r3 = -80.0, r4 = -79.0,
 &end

# 14 GLN PHI:  (13 GLN C)-(14 GLN N)-(14 GLN CA)-(14 GLN C) -140.0 -100.0
 &rst     iat =   208,   210,   212,   225,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 15 THR PHI:  (14 GLN C)-(15 THR N)-(15 THR CA)-(15 THR C) -140.0 -100.0
 &rst     iat =   225,   227,   229,   239,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 16 PHE PHI:  (15 THR C)-(16 PHE N)-(16 PHE CA)-(16 PHE C) -150.0 -90.0
 &rst     iat =   239,   241,   243,   259,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 17 LYS PHI:  (16 PHE C)-(17 LYS N)-(17 LYS CA)-(17 LYS C) -140.0 -100.0
 &rst     iat =   259,   261,   263,   281,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 18 ILE PHI:  (17 LYS C)-(18 ILE N)-(18 ILE CA)-(18 ILE C) -140.0 -100.0
 &rst     iat =   281,   283,   285,   300,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 19 ASP PHI:  (18 ILE C)-(19 ASP N)-(19 ASP CA)-(19 ASP C) -140.0 -100.0
 &rst     iat =   300,   302,   304,   312,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 20 ILE PHI:  (19 ASP C)-(20 ILE N)-(20 ILE CA)-(20 ILE C) -145.0 -95.0
 &rst     iat =   312,   314,   316,   331,
   r1 = -146.0, r2 = -145.0, r3 = -95.0, r4 = -94.0,
 &end

# 21 ASP PHI:  (20 ILE C)-(21 ASP N)-(21 ASP CA)-(21 ASP C) -120.0 -60.0
 &rst     iat =   331,   333,   335,   343,
   r1 = -121.0, r2 = -120.0, r3 = -60.0, r4 = -59.0,
 &end

# 26 VAL PHI:  (25 THR C)-(26 VAL N)-(26 VAL CA)-(26 VAL C) -80.0 -40.0
 &rst     iat =   401,   403,   405,   417,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 27 LYS PHI:  (26 VAL C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -80.0 -40.0
 &rst     iat =   417,   419,   421,   439,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 28 ALA PHI:  (27 LYS C)-(28 ALA N)-(28 ALA CA)-(28 ALA C) -80.0 -40.0
 &rst     iat =   439,   441,   443,   449,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 30 LYS PHI:  (29 LEU C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -80.0 -40.0
 &rst     iat =   468,   470,   472,   490,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 31 GLU PHI:  (30 LYS C)-(31 GLU N)-(31 GLU CA)-(31 GLU C) -80.0 -40.0
 &rst     iat =   490,   492,   494,   505,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 32 LYS PHI:  (31 GLU C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -80.0 -40.0
 &rst     iat =   505,   507,   509,   527,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 33 ILE PHI:  (32 LYS C)-(33 ILE N)-(33 ILE CA)-(33 ILE C) -80.0 -40.0
 &rst     iat =   527,   529,   531,   546,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 34 GLU PHI:  (33 ILE C)-(34 GLU N)-(34 GLU CA)-(34 GLU C) -80.0 -40.0
 &rst     iat =   546,   548,   550,   561,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 35 SER PHI:  (34 GLU C)-(35 SER N)-(35 SER CA)-(35 SER C) -80.0 -40.0
 &rst     iat =   561,   563,   565,   572,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 36 GLU PHI:  (35 SER C)-(36 GLU N)-(36 GLU CA)-(36 GLU C) -100.0 -40.0
 &rst     iat =   572,   574,   576,   587,
   r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
 &end

# 37 LYS PHI:  (36 GLU C)-(37 LYS N)-(37 LYS CA)-(37 LYS C) -140.0 -100.0
 &rst     iat =   587,   589,   591,   609,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 39 LYS PHI:  (38 GLY C)-(39 LYS N)-(39 LYS CA)-(39 LYS C) -80.0 -40.0
 &rst     iat =   616,   618,   620,   638,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 41 ALA PHI:  (40 ASP C)-(41 ALA N)-(41 ALA CA)-(41 ALA C) -140.0 -100.0
 &rst     iat =   650,   652,   654,   660,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 42 PHE PHI:  (41 ALA C)-(42 PHE N)-(42 PHE CA)-(42 PHE C) -140.0 -100.0
 &rst     iat =   660,   662,   664,   680,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 44 VAL PHI:  (43 PRO C)-(44 VAL N)-(44 VAL CA)-(44 VAL C) -80.0 -40.0
 &rst     iat =   694,   696,   698,   710,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 45 ALA PHI:  (44 VAL C)-(45 ALA N)-(45 ALA CA)-(45 ALA C) -80.0 -40.0
 &rst     iat =   710,   712,   714,   720,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 48 LYS PHI:  (47 GLN C)-(48 LYS N)-(48 LYS CA)-(48 LYS C) -140.0 -100.0
 &rst     iat =   744,   746,   748,   766,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 49 LEU PHI:  (48 LYS C)-(49 LEU N)-(49 LEU CA)-(49 LEU C) -140.0 -100.0
 &rst     iat =   766,   768,   770,   785,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 50 ILE PHI:  (49 LEU C)-(50 ILE N)-(50 ILE CA)-(50 ILE C) -150.0 -90.0
 &rst     iat =   785,   787,   789,   804,
   r1 = -151.0, r2 = -150.0, r3 = -90.0, r4 = -89.0,
 &end

# 51 TYR PHI:  (50 ILE C)-(51 TYR N)-(51 TYR CA)-(51 TYR C) -140.0 -100.0
 &rst     iat =   804,   806,   808,   825,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 54 LYS PHI:  (53 GLY C)-(54 LYS N)-(54 LYS CA)-(54 LYS C) -140.0 -100.0
 &rst     iat =   842,   844,   846,   864,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 55 ILE PHI:  (54 LYS C)-(55 ILE N)-(55 ILE CA)-(55 ILE C) -140.0 -100.0
 &rst     iat =   864,   866,   868,   883,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 56 LEU PHI:  (55 ILE C)-(56 LEU N)-(56 LEU CA)-(56 LEU C) -80.0 -40.0
 &rst     iat =   883,   885,   887,   902,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 57 ASN PHI:  (56 LEU C)-(57 ASN N)-(57 ASN CA)-(57 ASN C) -130.0 -50.0
 &rst     iat =   902,   904,   906,   916,
   r1 = -131.0, r2 = -130.0, r3 = -50.0, r4 = -49.0,
 &end

# 58 ASP PHI:  (57 ASN C)-(58 ASP N)-(58 ASP CA)-(58 ASP C) -80.0 -40.0
 &rst     iat =   916,   918,   920,   928,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 60 THR PHI:  (59 ASP C)-(60 THR N)-(60 THR CA)-(60 THR C) -140.0 -100.0
 &rst     iat =   940,   942,   944,   954,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 61 ALA PHI:  (60 THR C)-(61 ALA N)-(61 ALA CA)-(61 ALA C) -80.0 -40.0
 &rst     iat =   954,   956,   958,   964,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 62 LEU PHI:  (61 ALA C)-(62 LEU N)-(62 LEU CA)-(62 LEU C) -80.0 -40.0
 &rst     iat =   964,   966,   968,   983,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 63 LYS PHI:  (62 LEU C)-(63 LYS N)-(63 LYS CA)-(63 LYS C) -80.0 -40.0
 &rst     iat =   983,   985,   987,  1005,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 64 GLU PHI:  (63 LYS C)-(64 GLU N)-(64 GLU CA)-(64 GLU C) -80.0 -40.0
 &rst     iat =  1005,  1007,  1009,  1020,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 65 TYR PHI:  (64 GLU C)-(65 TYR N)-(65 TYR CA)-(65 TYR C) -120.0 -40.0
 &rst     iat =  1020,  1022,  1024,  1041,
   r1 = -121.0, r2 = -120.0, r3 = -40.0, r4 = -39.0,
 &end

# 67 ILE PHI:  (66 LYS C)-(67 ILE N)-(67 ILE CA)-(67 ILE C) -80.0 -40.0
 &rst     iat =  1063,  1065,  1067,  1082,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 69 GLU PHI:  (68 ASP C)-(69 GLU N)-(69 GLU CA)-(69 GLU C) -80.0 -40.0
 &rst     iat =  1094,  1096,  1098,  1109,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 70 LYS PHI:  (69 GLU C)-(70 LYS N)-(70 LYS CA)-(70 LYS C) -140.0 -100.0
 &rst     iat =  1109,  1111,  1113,  1131,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 71 ASN PHI:  (70 LYS C)-(71 ASN N)-(71 ASN CA)-(71 ASN C) -140.0 -100.0
 &rst     iat =  1131,  1133,  1135,  1145,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 72 PHE PHI:  (71 ASN C)-(72 PHE N)-(72 PHE CA)-(72 PHE C) -140.0 -100.0
 &rst     iat =  1145,  1147,  1149,  1165,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 73 VAL PHI:  (72 PHE C)-(73 VAL N)-(73 VAL CA)-(73 VAL C) -140.0 -100.0
 &rst     iat =  1165,  1167,  1169,  1181,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 74 VAL PHI:  (73 VAL C)-(74 VAL N)-(74 VAL CA)-(74 VAL C) -140.0 -100.0
 &rst     iat =  1181,  1183,  1185,  1197,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 75 VAL PHI:  (74 VAL C)-(75 VAL N)-(75 VAL CA)-(75 VAL C) -140.0 -100.0
 &rst     iat =  1197,  1199,  1201,  1213,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 76 MET PHI:  (75 VAL C)-(76 MET N)-(76 MET CA)-(76 MET C) -140.0 -100.0
 &rst     iat =  1213,  1215,  1217,  1230,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 77 VAL PHI:  (76 MET C)-(77 VAL N)-(77 VAL CA)-(77 VAL C) -140.0 -100.0
 &rst     iat =  1230,  1232,  1234,  1246,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 78 THR PHI:  (77 VAL C)-(78 THR N)-(78 THR CA)-(78 THR C) -140.0 -100.0
 &rst     iat =  1246,  1248,  1250,  1260,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 82 ALA PHI:  (81 LYS C)-(82 ALA N)-(82 ALA CA)-(82 ALA C) -140.0 -60.0
 &rst     iat =  1318,  1320,  1322,  1328,
   r1 = -141.0, r2 = -140.0, r3 = -60.0, r4 = -59.0,
 &end

# 83 VAL PHI:  (82 ALA C)-(83 VAL N)-(83 VAL CA)-(83 VAL C) -140.0 -100.0
 &rst     iat =  1328,  1330,  1332,  1344,
   r1 = -141.0, r2 = -140.0, r3 = -100.0, r4 = -99.0,
 &end

# 84 SER PHI:  (83 VAL C)-(84 SER N)-(84 SER CA)-(84 SER C) -130.0 -50.0
 &rst     iat =  1344,  1346,  1348,  1355,
   r1 = -131.0, r2 = -130.0, r3 = -50.0, r4 = -49.0,
 &end

# 4 MET PSI:  (4 MET N)-(4 MET CA)-(4 MET C)-(5 GLN N) 100.0 160.0
 &rst     iat =    38,    40,    53,    55,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 5 GLN PSI:  (5 GLN N)-(5 GLN CA)-(5 GLN C)-(6 VAL N)  90.0 150.0
 &rst     iat =    55,    57,    70,    72,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end

# 6 VAL PSI:  (6 VAL N)-(6 VAL CA)-(6 VAL C)-(7 THR N)  90.0 150.0
 &rst     iat =    72,    74,    86,    88,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end

# 7 THR PSI:  (7 THR N)-(7 THR CA)-(7 THR C)-(8 LEU N)  90.0 150.0
 &rst     iat =    88,    90,   100,   102,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end

# 8 LEU PSI:  (8 LEU N)-(8 LEU CA)-(8 LEU C)-(9 LYS N) 100.0 160.0
 &rst     iat =   102,   104,   119,   121,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 9 LYS PSI:  (9 LYS N)-(9 LYS CA)-(9 LYS C)-(10 THR N) 120.0 180.0
 &rst     iat =   121,   123,   141,   143,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 10 THR PSI:  (10 THR N)-(10 THR CA)-(10 THR C)-(11 LEU N) 120.0 180.0
 &rst     iat =   143,   145,   155,   157,
   r1 = 119.0, r2 = 120.0, r3 = 180.0, r4 = 181.0,
 &end

# 15 THR PSI:  (15 THR N)-(15 THR CA)-(15 THR C)-(16 PHE N) 130.0 190.0
 &rst     iat =   227,   229,   239,   241,
   r1 = 129.0, r2 = 130.0, r3 = 190.0, r4 = 191.0,
 &end

# 16 PHE PSI:  (16 PHE N)-(16 PHE CA)-(16 PHE C)-(17 LYS N) 110.0 170.0
 &rst     iat =   241,   243,   259,   261,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 17 LYS PSI:  (17 LYS N)-(17 LYS CA)-(17 LYS C)-(18 ILE N) 110.0 170.0
 &rst     iat =   261,   263,   281,   283,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 19 ASP PSI:  (19 ASP N)-(19 ASP CA)-(19 ASP C)-(20 ILE N) 100.0 160.0
 &rst     iat =   302,   304,   312,   314,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 20 ILE PSI:  (20 ILE N)-(20 ILE CA)-(20 ILE C)-(21 ASP N) 110.0 170.0
 &rst     iat =   314,   316,   331,   333,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 21 ASP PSI:  (21 ASP N)-(21 ASP CA)-(21 ASP C)-(22 PRO N)  80.0 140.0
 &rst     iat =   333,   335,   343,   345,
   r1 =  79.0, r2 =  80.0, r3 = 140.0, r4 = 141.0,
 &end

# 26 VAL PSI:  (26 VAL N)-(26 VAL CA)-(26 VAL C)-(27 LYS N) -70.0 -10.0
 &rst     iat =   403,   405,   417,   419,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 27 LYS PSI:  (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 ALA N) -70.0 -10.0
 &rst     iat =   419,   421,   439,   441,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 28 ALA PSI:  (28 ALA N)-(28 ALA CA)-(28 ALA C)-(29 LEU N) -70.0 -10.0
 &rst     iat =   441,   443,   449,   451,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 30 LYS PSI:  (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 GLU N) -70.0 -10.0
 &rst     iat =   470,   472,   490,   492,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 31 GLU PSI:  (31 GLU N)-(31 GLU CA)-(31 GLU C)-(32 LYS N) -70.0 -10.0
 &rst     iat =   492,   494,   505,   507,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 32 LYS PSI:  (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 ILE N) -70.0 -10.0
 &rst     iat =   507,   509,   527,   529,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 33 ILE PSI:  (33 ILE N)-(33 ILE CA)-(33 ILE C)-(34 GLU N) -70.0 -10.0
 &rst     iat =   529,   531,   546,   548,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 34 GLU PSI:  (34 GLU N)-(34 GLU CA)-(34 GLU C)-(35 SER N) -70.0 -10.0
 &rst     iat =   548,   550,   561,   563,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 35 SER PSI:  (35 SER N)-(35 SER CA)-(35 SER C)-(36 GLU N) -70.0 -10.0
 &rst     iat =   563,   565,   572,   574,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 36 GLU PSI:  (36 GLU N)-(36 GLU CA)-(36 GLU C)-(37 LYS N) -60.0   0.0
 &rst     iat =   574,   576,   587,   589,
   r1 = -61.0, r2 = -60.0, r3 =   0.0, r4 =   1.0,
 &end

# 39 LYS PSI:  (39 LYS N)-(39 LYS CA)-(39 LYS C)-(40 ASP N) -60.0   0.0
 &rst     iat =   618,   620,   638,   640,
   r1 = -61.0, r2 = -60.0, r3 =   0.0, r4 =   1.0,
 &end

# 44 VAL PSI:  (44 VAL N)-(44 VAL CA)-(44 VAL C)-(45 ALA N) -70.0 -10.0
 &rst     iat =   696,   698,   710,   712,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 48 LYS PSI:  (48 LYS N)-(48 LYS CA)-(48 LYS C)-(49 LEU N) 100.0 160.0
 &rst     iat =   746,   748,   766,   768,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 49 LEU PSI:  (49 LEU N)-(49 LEU CA)-(49 LEU C)-(50 ILE N) 110.0 170.0
 &rst     iat =   768,   770,   785,   787,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 50 ILE PSI:  (50 ILE N)-(50 ILE CA)-(50 ILE C)-(51 TYR N) 110.0 170.0
 &rst     iat =   787,   789,   804,   806,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end

# 55 ILE PSI:  (55 ILE N)-(55 ILE CA)-(55 ILE C)-(56 LEU N)  90.0 150.0
 &rst     iat =   866,   868,   883,   885,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end

# 58 ASP PSI:  (58 ASP N)-(58 ASP CA)-(58 ASP C)-(59 ASP N) -60.0   0.0
 &rst     iat =   918,   920,   928,   930,
   r1 = -61.0, r2 = -60.0, r3 =   0.0, r4 =   1.0,
 &end

# 60 THR PSI:  (60 THR N)-(60 THR CA)-(60 THR C)-(61 ALA N)  90.0 150.0
 &rst     iat =   942,   944,   954,   956,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end

# 62 LEU PSI:  (62 LEU N)-(62 LEU CA)-(62 LEU C)-(63 LYS N) -60.0   0.0
 &rst     iat =   966,   968,   983,   985,
   r1 = -61.0, r2 = -60.0, r3 =   0.0, r4 =   1.0,
 &end

# 63 LYS PSI:  (63 LYS N)-(63 LYS CA)-(63 LYS C)-(64 GLU N) -60.0   0.0
 &rst     iat =   985,   987,  1005,  1007,
   r1 = -61.0, r2 = -60.0, r3 =   0.0, r4 =   1.0,
 &end

# 64 GLU PSI:  (64 GLU N)-(64 GLU CA)-(64 GLU C)-(65 TYR N) -70.0 -10.0
 &rst     iat =  1007,  1009,  1020,  1022,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end

# 71 ASN PSI:  (71 ASN N)-(71 ASN CA)-(71 ASN C)-(72 PHE N) 110.0 190.0
 &rst     iat =  1133,  1135,  1145,  1147,
   r1 = 109.0, r2 = 110.0, r3 = 190.0, r4 = 191.0,
 &end

# 72 PHE PSI:  (72 PHE N)-(72 PHE CA)-(72 PHE C)-(73 VAL N) 100.0 160.0
 &rst     iat =  1147,  1149,  1165,  1167,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 73 VAL PSI:  (73 VAL N)-(73 VAL CA)-(73 VAL C)-(74 VAL N)  90.0 150.0
 &rst     iat =  1167,  1169,  1181,  1183,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end

# 74 VAL PSI:  (74 VAL N)-(74 VAL CA)-(74 VAL C)-(75 VAL N) 100.0 160.0
 &rst     iat =  1183,  1185,  1197,  1199,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 75 VAL PSI:  (75 VAL N)-(75 VAL CA)-(75 VAL C)-(76 MET N) 100.0 160.0
 &rst     iat =  1199,  1201,  1213,  1215,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 76 MET PSI:  (76 MET N)-(76 MET CA)-(76 MET C)-(77 VAL N) 100.0 160.0
 &rst     iat =  1215,  1217,  1230,  1232,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 77 VAL PSI:  (77 VAL N)-(77 VAL CA)-(77 VAL C)-(78 THR N) 100.0 160.0
 &rst     iat =  1232,  1234,  1246,  1248,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 78 THR PSI:  (78 THR N)-(78 THR CA)-(78 THR C)-(79 LYS N)  90.0 150.0
 &rst     iat =  1248,  1250,  1260,  1262,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end

# 82 ALA PSI:  (82 ALA N)-(82 ALA CA)-(82 ALA C)-(83 VAL N) 100.0 160.0
 &rst     iat =  1320,  1322,  1328,  1330,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 84 SER PSI:  (84 SER N)-(84 SER CA)-(84 SER C)-(85 THR N)  90.0 150.0
 &rst     iat =  1346,  1348,  1355,  1357,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end

#
#    3 HIS  QB      20 ILE  HA       5.020   (#SUP   1.38 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,

      rk2=15.0, rk3=15.0, ir6=1, ialtd=0,
 igr1=  26,  27,
 &end
#
#    4 MET  QG      20 ILE  QD1      4.160   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  46,  47,
 igr2= 328, 329, 330,
 &end
#
#    4 MET  QG      22 PRO  QD       4.315   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=  46,  47,
 igr2= 347, 348,
 &end
#
#    5 GLN  HA       5 GLN  QB       3.685   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=  60,  61,
 &end
#
#    5 GLN  HA       5 GLN  QG       4.115   (#SUP   4.79 )
 &rst
  ixpk= 4, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=  63,  64,
 &end
#
#    5 GLN  HA      19 ASP- HA       3.190   (#SUP   8.84 )
 &rst
  ixpk= 8, nxpk= 0, iat=  58, 305, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#    5 GLN  HA      19 ASP- QB       4.445   (#SUP   4.15 )
 &rst
  ixpk= 4, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 307, 308,
 &end
#
#    5 GLN  QB       5 GLN  QE2      3.905   (#SUP   2.70 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1=  60,  61,
 igr2=  68,  69,
 &end
#
#    5 GLN  QB      19 ASP- HA       3.810   (#SUP   4.99 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=  60,  61,
 &end
#
#    5 GLN  QG      19 ASP- HA       4.850   (#SUP   3.46 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 305, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=  63,  64,
 &end
#
#    6 VAL  HA       6 VAL  HB       3.800   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  75,  77, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#    6 VAL  HA      67 ILE  MG2      4.590   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2=1072,1073,1074,
 &end
#
#    7 THR  HA       7 THR  HB       4.400   (#SUP   3.70 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91,  93, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#    7 THR  HA       7 THR  MG2      3.390   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=  95,  96,  97,
 &end
#
#    7 THR  HA       8 LEU  HA       5.160   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  91, 105, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#    7 THR  HA       8 LEU  HG       4.195   (#SUP   3.73 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91, 110, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    7 THR  HA      17 LYS+ HA       3.240   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat=  91, 264, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#    7 THR  HA      17 LYS+ QD       4.305   (#SUP   3.72 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 272, 273,
 &end
#
#    7 THR  HB       7 THR  MG2      3.150   (#SUP   3.43 )
 &rst
  ixpk= 3, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=  95,  96,  97,
 &end
#
#    7 THR  HB      72 PHE  HA       3.500   (#SUP   6.83 )
 &rst
  ixpk= 6, nxpk= 0, iat=  93,1150, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    7 THR  HB      72 PHE  QB       4.225   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1152,1153,
 &end
#
#    7 THR  HB      72 PHE  QD       4.670   (#SUP   3.75 )
 &rst
  ixpk= 3, nxpk= 0, iat=  93,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1156,1164,
 &end
#
#    7 THR  MG2      7 THR  HB       3.130   (#SUP   3.43 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2      8 LEU  HA       5.195   (#SUP   4.27 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 105, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2     15 THR  HA       4.825   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2     15 THR  HB       3.800   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 232, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2     72 PHE  HA       3.745   (#SUP   3.75 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2     72 PHE  QB       3.885   (#SUP   2.73 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=  95,  96,  97,
 igr2=1152,1153,
 &end
#
#    8 LEU  HA       8 LEU  QB       3.770   (#SUP   5.54 )
 &rst
  ixpk= 5, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 107, 108,
 &end
#
#    8 LEU  HA      15 THR  MG2      5.105   (#SUP   1.69 )
 &rst
  ixpk= 1, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 234, 235, 236,
 &end
#
#    8 LEU  QB      16 PHE  HZ       4.455   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 107, 108,
 &end
#
#    8 LEU  QB      16 PHE  HZ       4.455   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 107, 108,
 &end
#
#    8 LEU  QB      16 PHE  QD       4.275   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 107, 108,
 igr2= 250, 258,
 &end
#
#    8 LEU  QB      16 PHE  QE       3.915   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 107, 108,
 igr2= 252, 256,
 &end
#
#    8 LEU  HG      16 PHE  HZ       4.540   (#SUP   6.08 )
 &rst
  ixpk= 6, nxpk= 0, iat= 110, 254, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#    8 LEU  HG      16 PHE  QD       4.155   (#SUP   6.83 )
 &rst
  ixpk= 6, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 250, 258,
 &end
#
#    8 LEU  HG      16 PHE  QE       3.820   (#SUP   6.12 )
 &rst
  ixpk= 6, nxpk= 0, iat= 110,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr2= 252, 256,
 &end
#
#    8 LEU  HG      17 LYS+ HA       4.130   (#SUP   7.11 )
 &rst
  ixpk= 7, nxpk= 0, iat= 110, 264, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#    9 LYS+ HA       9 LYS+ QG       4.840   (#SUP   2.60 )
 &rst
  ixpk= 2, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 129, 130,
 &end
#
#    9 LYS+ HA       9 LYS+ QB       3.890   (#SUP   2.60 )
 &rst
  ixpk= 2, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 126, 127,
 &end
#
#    9 LYS+ HA      10 THR  MG2      5.075   (#SUP   2.70 )
 &rst
  ixpk= 2, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 150, 151, 152,
 &end
#
#    9 LYS+ HA      15 THR  HA       3.255   (#SUP   6.63 )
 &rst
  ixpk= 6, nxpk= 0, iat= 124, 230, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#    9 LYS+ HA      15 THR  HB       4.740   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat= 124, 232, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#    9 LYS+ HA      15 THR  MG2      3.510   (#SUP   6.71 )
 &rst
  ixpk= 6, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 234, 235, 236,
 &end
#
#    9 LYS+ HA      16 PHE  QE       4.955   (#SUP   4.99 )
 &rst
  ixpk= 4, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 252, 256,
 &end
#
#    9 LYS+ QE      72 PHE  QD       5.150   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 135, 136,
 igr2=1156,1164,
 &end
#
#    9 LYS+ QE      72 PHE  QE       5.180   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 135, 136,
 igr2=1158,1162,
 &end
#
#    9 LYS+ QG      72 PHE  QD       4.640   (#SUP   5.27 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 129, 130,
 igr2=1156,1164,
 &end
#
#    9 LYS+ QG      72 PHE  QE       4.625   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 129, 130,
 igr2=1158,1162,
 &end
#
#    9 LYS+ QB      72 PHE  QD       4.300   (#SUP   4.13 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 126, 127,
 igr2=1156,1164,
 &end
#
#    9 LYS+ QB      74 VAL  HA       4.505   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 126, 127,
 &end
#
#    9 LYS+ QD      72 PHE  QD       4.085   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 132, 133,
 igr2=1156,1164,
 &end
#
#    9 LYS+ QD      72 PHE  QE       4.625   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 132, 133,
 igr2=1158,1162,
 &end
#
#   10 THR  HA      10 THR  HB       3.450   (#SUP   3.22 )
 &rst
  ixpk= 3, nxpk= 0, iat= 146, 148, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#   10 THR  HA      10 THR  MG2      3.600   (#SUP   3.66 )
 &rst
  ixpk= 3, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 150, 151, 152,
 &end
#
#   10 THR  HA      75 VAL  HB       4.695   (#SUP   1.78 )
 &rst
  ixpk= 1, nxpk= 0, iat= 146,1204, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   10 THR  HB      10 THR  MG2      3.200   (#SUP   3.44 )
 &rst
  ixpk= 3, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 150, 151, 152,
 &end
#
#   10 THR  MG2     15 THR  HA       5.405   (#SUP   5.81 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     16 PHE  HZ       4.845   (#SUP   2.07 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     16 PHE  QD       4.135   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 150, 151, 152,
 igr2= 250, 258,
 &end
#
#   10 THR  MG2     16 PHE  QE       3.565   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 150, 151, 152,
 igr2= 252, 256,
 &end
#
#   10 THR  MG2     42 PHE  HZ       3.680   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     42 PHE  QE       3.870   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 150, 151, 152,
 igr2= 673, 677,
 &end
#
#   11 LEU  HA      11 LEU  QB       3.470   (#SUP   4.58 )
 &rst
  ixpk= 4, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 162, 163,
 &end
#
#   12 GLN  HA      12 GLN  QB       4.005   (#SUP   2.88 )
 &rst
  ixpk= 2, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 181, 182,
 &end
#
#   12 GLN  HA      12 GLN  QG       3.165   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2= 184, 185,
 &end
#
#   12 GLN  HA      13 GLN  QE2      4.765   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 206, 207,
 &end
#
#   12 GLN  HA      13 GLN  QG       4.635   (#SUP   3.89 )
 &rst
  ixpk= 3, nxpk= 0, iat= 179,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 201, 202,
 &end
#
#   13 GLN  HA      13 GLN  QG       4.115   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 201, 202,
 &end
#
#   13 GLN  HA      13 GLN  QB       3.820   (#SUP   2.83 )
 &rst
  ixpk= 2, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 198, 199,
 &end
#
#   14 GLN  HA      14 GLN  QB       3.785   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 215, 216,
 &end
#
#   14 GLN  HA      14 GLN  QG       3.810   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 218, 219,
 &end
#
#   14 GLN  QB      16 PHE  QD       4.425   (#SUP   2.33 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 215, 216,
 igr2= 250, 258,
 &end
#
#   14 GLN  QG      16 PHE  QD       4.935   (#SUP   2.33 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 218, 219,
 igr2= 250, 258,
 &end
#
#   15 THR  HA      15 THR  HB       3.400   (#SUP   3.74 )
 &rst
  ixpk= 3, nxpk= 0, iat= 230, 232, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   15 THR  HA      15 THR  MG2      3.485   (#SUP   4.85 )
 &rst
  ixpk= 4, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr2= 234, 235, 236,
 &end
#
#   15 THR  HA      16 PHE  QD       4.420   (#SUP   5.82 )
 &rst
  ixpk= 5, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 250, 258,
 &end
#
#   15 THR  HB      15 THR  MG2      3.340   (#SUP   3.73 )
 &rst
  ixpk= 3, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 234, 235, 236,
 &end
#
#   15 THR  MG2     16 PHE  HA       4.830   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 234, 235, 236,
 &end
#
#   15 THR  MG2     72 PHE  QD       4.715   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 234, 235, 236,
 igr2=1156,1164,
 &end
#
#   15 THR  MG2     72 PHE  QE       4.890   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 234, 235, 236,
 igr2=1158,1162,
 &end
#
#   16 PHE  HA      16 PHE  QB       3.140   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 246, 247,
 &end
#
#   16 PHE  HA      16 PHE  QD       4.020   (#SUP   6.49 )
 &rst
  ixpk= 6, nxpk= 0, iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 250, 258,
 &end
#
#   16 PHE  QB      16 PHE  QD       3.270   (#SUP   6.01 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 246, 247,
 igr2= 250, 258,
 &end
#
#   16 PHE  QB      16 PHE  QD       3.270   (#SUP   6.01 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 246, 247,
 igr2= 250, 258,
 &end
#
#   16 PHE  HZ      33 ILE  QG1      4.510   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 540, 541,
 &end
#
#   16 PHE  HZ      33 ILE  QD1      3.685   (#SUP   2.44 )
 &rst
  ixpk= 2, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 543, 544, 545,
 &end
#
#   16 PHE  HZ      33 ILE  MG2      4.535   (#SUP   2.44 )
 &rst
  ixpk= 2, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 536, 537, 538,
 &end
#
#   16 PHE  QD      16 PHE  QB       3.260   (#SUP   6.01 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 250, 258,
 igr2= 246, 247,
 &end
#
#   16 PHE  QD      16 PHE  HZ       4.375   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 250, 258,
 &end
#
#   16 PHE  QD      16 PHE  QE       3.620   (#SUP   4.63 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 250, 258,
 igr2= 252, 256,
 &end
#
#   16 PHE  QD      17 LYS+ HA       4.835   (#SUP   5.12 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 264, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 250, 258,
 &end
#
#   16 PHE  QD      18 ILE  QD1      4.040   (#SUP   2.33 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 250, 258,
 igr2= 297, 298, 299,
 &end
#
#   16 PHE  QD      18 ILE  QG1      3.980   (#SUP   2.74 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 250, 258,
 igr2= 294, 295,
 &end
#
#   16 PHE  QD      32 LYS+ QD       4.715   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 250, 258,
 igr2= 518, 519,
 &end
#
#   16 PHE  QE      16 PHE  HZ       3.055   (#SUP   1.31 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr1= 252, 256,
 &end
#
#   16 PHE  QE      16 PHE  QD       3.360   (#SUP   4.63 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 252, 256,
 igr2= 250, 258,
 &end
#
#   16 PHE  QE      18 ILE  QG1      4.095   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 252, 256,
 igr2= 294, 295,
 &end
#
#   16 PHE  QE      32 LYS+ QD       5.145   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 252, 256,
 igr2= 518, 519,
 &end
#
#   16 PHE  QE      33 ILE  HA       4.165   (#SUP   4.08 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 252, 256,
 &end
#
#   16 PHE  QE      33 ILE  HB       4.570   (#SUP   4.08 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 252, 256,
 &end
#
#   16 PHE  QE      33 ILE  QG1      4.255   (#SUP   5.98 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 252, 256,
 igr2= 540, 541,
 &end
#
#   16 PHE  QE      33 ILE  QD1      3.870   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 252, 256,
 igr2= 543, 544, 545,
 &end
#
#   16 PHE  QE      33 ILE  MG2      3.730   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 252, 256,
 igr2= 536, 537, 538,
 &end
#
#   17 LYS+ HA      17 LYS+ QB       3.750   (#SUP   3.56 )
 &rst
  ixpk= 3, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 266, 267,
 &end
#
#   17 LYS+ HA      17 LYS+ QG       3.790   (#SUP   3.09 )
 &rst
  ixpk= 3, nxpk= 0, iat= 264,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 269, 270,
 &end
#
#   18 ILE  HB      19 ASP- HA       4.940   (#SUP   1.75 )
 &rst
  ixpk= 1, nxpk= 0, iat= 288, 305, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   18 ILE  MG2     33 ILE  HA       4.640   (#SUP   0.73 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 532, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 290, 291, 292,
 &end
#
#   19 ASP- HA      19 ASP- QB       3.245   (#SUP   4.13 )
 &rst
  ixpk= 4, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 307, 308,
 &end
#
#   19 ASP- HA      20 ILE  HA       4.795   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat= 305, 317, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   19 ASP- HA      20 ILE  QD1      3.250   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 328, 329, 330,
 &end
#
#   19 ASP- HA      20 ILE  MG2      5.220   (#SUP   4.13 )
 &rst
  ixpk= 4, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 321, 322, 323,
 &end
#
#   19 ASP- QB      20 ILE  HA       4.315   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 307, 308,
 &end
#
#   20 ILE  HA      20 ILE  HB       2.850   (#SUP   4.99 )
 &rst
  ixpk= 4, nxpk= 0, iat= 317, 319, r1= 1.30, r2= 1.80, r3= 2.85, r4= 3.35,  &end
#
#   20 ILE  HA      20 ILE  QD1      3.855   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,
 igr2= 328, 329, 330,
 &end
#
#   20 ILE  HA      20 ILE  MG2      3.170   (#SUP   5.03 )
 &rst
  ixpk= 5, nxpk= 0, iat= 317,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 321, 322, 323,
 &end
#
#   20 ILE  QD1     28 ALA  MB       4.850   (#SUP   0.73 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 328, 329, 330,
 igr2= 446, 447, 448,
 &end
#
#   20 ILE  QG1     24 GLU- QG       4.480   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 325, 326,
 igr2= 382, 383,
 &end
#
#   20 ILE  MG2     32 LYS+ QE       3.970   (#SUP   2.40 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 321, 322, 323,
 igr2= 521, 522,
 &end
#
#   21 ASP- HA      21 ASP- QB       4.170   (#SUP   2.72 )
 &rst
  ixpk= 2, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 338, 339,
 &end
#
#   21 ASP- HA      22 PRO  QD       3.285   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 347, 348,
 &end
#
#   22 PRO  HA      22 PRO  QB       4.520   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 353, 354,
 &end
#
#   22 PRO  HA      22 PRO  QG       3.160   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr2= 350, 351,
 &end
#
#   22 PRO  QB      22 PRO  HA       5.330   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 353, 354,
 &end
#
#   22 PRO  QB      22 PRO  QD       3.390   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 353, 354,
 igr2= 347, 348,
 &end
#
#   22 PRO  QB      22 PRO  HA       5.330   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 353, 354,
 &end
#
#   22 PRO  QD      22 PRO  QB       3.530   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,
 igr1= 347, 348,
 igr2= 353, 354,
 &end
#
#   22 PRO  QD      22 PRO  QG       3.320   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr1= 347, 348,
 igr2= 350, 351,
 &end
#
#   22 PRO  QG      22 PRO  QD       3.450   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 350, 351,
 igr2= 347, 348,
 &end
#
#   23 GLU- HA      23 GLU- QB       3.690   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 364, 365,
 &end
#
#   23 GLU- HA      23 GLU- QG       4.050   (#SUP   3.68 )
 &rst
  ixpk= 3, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 367, 368,
 &end
#
#   23 GLU- HA      63 LYS+ QG       4.470   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 993, 994,
 &end
#
#   23 GLU- HA      63 LYS+ QD       3.860   (#SUP   2.64 )
 &rst
  ixpk= 2, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 996, 997,
 &end
#
#   24 GLU- HA      24 GLU- QB       3.030   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr2= 379, 380,
 &end
#
#   24 GLU- HA      24 GLU- QG       3.925   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 382, 383,
 &end
#
#   25 THR  HA      25 THR  MG2      3.425   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 396, 397, 398,
 &end
#
#   25 THR  HA      61 ALA  HA       3.060   (#SUP   4.09 )
 &rst
  ixpk= 4, nxpk= 0, iat= 392, 959, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   25 THR  HA      61 ALA  MB       4.330   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 961, 962, 963,
 &end
#
#   25 THR  HB      25 THR  MG2      3.190   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 396, 397, 398,
 &end
#
#   25 THR  HB      61 ALA  HA       4.375   (#SUP   1.27 )
 &rst
  ixpk= 1, nxpk= 0, iat= 394, 959, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#   25 THR  MG2     25 THR  HB       3.080   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 396, 397, 398,
 &end
#
#   25 THR  MG2     59 ASP- HA       4.160   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 933, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 396, 397, 398,
 &end
#
#   26 VAL  HA      26 VAL  HB       4.050   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 406, 408, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   26 VAL  HA      28 ALA  MB       4.535   (#SUP   3.12 )
 &rst
  ixpk= 3, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 446, 447, 448,
 &end
#
#   26 VAL  HA      29 LEU  QB       3.775   (#SUP   3.21 )
 &rst
  ixpk= 3, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 456, 457,
 &end
#
#   26 VAL  HA      29 LEU  HG       4.180   (#SUP   2.18 )
 &rst
  ixpk= 2, nxpk= 0, iat= 406, 459, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   27 LYS+ HA      27 LYS+ QG       3.885   (#SUP   4.20 )
 &rst
  ixpk= 4, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2= 427, 428,
 &end
#
#   27 LYS+ HA      27 LYS+ QD       3.960   (#SUP   3.46 )
 &rst
  ixpk= 3, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 430, 431,
 &end
#
#   28 ALA  HA      31 GLU- QB       3.350   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 497, 498,
 &end
#
#   28 ALA  MB      29 LEU  HA       4.040   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 446, 447, 448,
 &end
#
#   29 LEU  HA      29 LEU  QB       4.000   (#SUP   4.78 )
 &rst
  ixpk= 4, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 456, 457,
 &end
#
#   29 LEU  HA      29 LEU  HG       3.520   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat= 454, 459, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   29 LEU  HA      32 LYS+ QD       4.040   (#SUP   1.99 )
 &rst
  ixpk= 1, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 518, 519,
 &end
#
#   30 LYS+ HA      30 LYS+ QD       3.330   (#SUP   3.86 )
 &rst
  ixpk= 3, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 481, 482,
 &end
#
#   30 LYS+ HA      30 LYS+ QG       3.615   (#SUP   1.92 )
 &rst
  ixpk= 1, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 478, 479,
 &end
#
#   30 LYS+ HA      32 LYS+ QG       3.690   (#SUP   1.68 )
 &rst
  ixpk= 1, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 515, 516,
 &end
#
#   30 LYS+ HA      33 ILE  QG1      3.410   (#SUP   2.22 )
 &rst
  ixpk= 2, nxpk= 0, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 540, 541,
 &end
#
#   30 LYS+ QD      31 GLU- HA       3.365   (#SUP   1.89 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 495, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 481, 482,
 &end
#
#   30 LYS+ QD      44 VAL  HA       3.810   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 481, 482,
 &end
#
#   30 LYS+ QG      44 VAL  HA       5.145   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 478, 479,
 &end
#
#   31 GLU- HA      31 GLU- QG       3.655   (#SUP   2.66 )
 &rst
  ixpk= 2, nxpk= 0, iat= 495,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 500, 501,
 &end
#
#   32 LYS+ QG      32 LYS+ QE       4.410   (#SUP   1.31 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 515, 516,
 igr2= 521, 522,
 &end
#
#   33 ILE  HA      33 ILE  HB       3.865   (#SUP   3.08 )
 &rst
  ixpk= 3, nxpk= 0, iat= 532, 534, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   33 ILE  HA      33 ILE  QG1      4.235   (#SUP   4.09 )
 &rst
  ixpk= 4, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 540, 541,
 &end
#
#   33 ILE  HA      33 ILE  QD1      3.490   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 543, 544, 545,
 &end
#
#   33 ILE  QG1     42 PHE  QD       4.660   (#SUP   1.09 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 540, 541,
 igr2= 671, 679,
 &end
#
#   33 ILE  QD1     34 GLU- HA       4.530   (#SUP   3.47 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 551, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     37 LYS+ QB       4.780   (#SUP   3.24 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 543, 544, 545,
 igr2= 594, 595,
 &end
#
#   33 ILE  QD1     37 LYS+ QG       4.630   (#SUP   3.24 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 543, 544, 545,
 igr2= 597, 598,
 &end
#
#   33 ILE  QD1     42 PHE  HA       4.320   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     42 PHE  QB       3.730   (#SUP   4.99 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 543, 544, 545,
 igr2= 667, 668,
 &end
#
#   33 ILE  QD1     42 PHE  QD       3.720   (#SUP   6.76 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 543, 544, 545,
 igr2= 671, 679,
 &end
#
#   33 ILE  QD1     42 PHE  QE       4.765   (#SUP   2.78 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 543, 544, 545,
 igr2= 673, 677,
 &end
#
#   34 GLU- HA      34 GLU- QB       3.830   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 553, 554,
 &end
#
#   34 GLU- HA      42 PHE  QB       4.410   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 667, 668,
 &end
#
#   34 GLU- HA      42 PHE  QD       4.905   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 671, 679,
 &end
#
#   34 GLU- QB      39 LYS+ HA       4.905   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 553, 554,
 &end
#
#   34 GLU- QG      43 PRO  HA       4.570   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 556, 557,
 &end
#
#   35 SER  HA      35 SER  QB       3.140   (#SUP   2.48 )
 &rst
  ixpk= 2, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr2= 568, 569,
 &end
#
#   35 SER  QB      36 GLU- QG       4.260   (#SUP   2.97 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 568, 569,
 igr2= 582, 583,
 &end
#
#   36 GLU- HA      36 GLU- QG       3.565   (#SUP   2.19 )
 &rst
  ixpk= 2, nxpk= 0, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 582, 583,
 &end
#
#   36 GLU- QB      37 LYS+ QG       4.180   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 579, 580,
 igr2= 597, 598,
 &end
#
#   37 LYS+ HA      37 LYS+ QD       4.060   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 600, 601,
 &end
#
#   37 LYS+ HA      37 LYS+ QG       4.230   (#SUP   6.33 )
 &rst
  ixpk= 6, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 597, 598,
 &end
#
#   37 LYS+ HA      42 PHE  QD       4.510   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 671, 679,
 &end
#
#   37 LYS+ QB      37 LYS+ QG       3.645   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 594, 595,
 igr2= 597, 598,
 &end
#
#   37 LYS+ QB      42 PHE  QD       3.670   (#SUP   8.50 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 594, 595,
 igr2= 671, 679,
 &end
#
#   37 LYS+ QB      42 PHE  QE       4.400   (#SUP   4.52 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 594, 595,
 igr2= 673, 677,
 &end
#
#   37 LYS+ QB      37 LYS+ QG       3.645   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 594, 595,
 igr2= 597, 598,
 &end
#
#   37 LYS+ QB      42 PHE  QD       3.670   (#SUP   8.50 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 594, 595,
 igr2= 671, 679,
 &end
#
#   37 LYS+ QB      42 PHE  QE       4.400   (#SUP   4.52 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 594, 595,
 igr2= 673, 677,
 &end
#
#   37 LYS+ QD      42 PHE  QD       4.250   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 600, 601,
 igr2= 671, 679,
 &end
#
#   37 LYS+ QG      37 LYS+ QD       3.745   (#SUP   6.57 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 597, 598,
 igr2= 600, 601,
 &end
#
#   37 LYS+ QG      42 PHE  QD       4.475   (#SUP   7.32 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 597, 598,
 igr2= 671, 679,
 &end
#
#   37 LYS+ QG      42 PHE  QE       4.690   (#SUP   3.77 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 597, 598,
 igr2= 673, 677,
 &end
#
#   39 LYS+ HA      39 LYS+ QB       3.700   (#SUP   1.93 )
 &rst
  ixpk= 1, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 623, 624,
 &end
#
#   39 LYS+ HA      43 PRO  HA       3.740   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 621, 693, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   39 LYS+ HA      43 PRO  QB       4.745   (#SUP   2.43 )
 &rst
  ixpk= 2, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 690, 691,
 &end
#
#   39 LYS+ QG      39 LYS+ QE       3.830   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 626, 627,
 igr2= 632, 633,
 &end
#
#   39 LYS+ QG      43 PRO  HA       4.625   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 693, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 626, 627,
 &end
#
#   41 ALA  HA      42 PHE  QD       4.820   (#SUP   4.95 )
 &rst
  ixpk= 4, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 671, 679,
 &end
#
#   41 ALA  MB      42 PHE  HA       4.840   (#SUP   4.48 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 657, 658, 659,
 &end
#
#   41 ALA  MB      42 PHE  QB       4.980   (#SUP   3.44 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,
 igr1= 657, 658, 659,
 igr2= 667, 668,
 &end
#
#   41 ALA  MB      42 PHE  QD       3.425   (#SUP   6.80 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 657, 658, 659,
 igr2= 671, 679,
 &end
#
#   41 ALA  MB      42 PHE  QE       3.760   (#SUP   3.73 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 657, 658, 659,
 igr2= 673, 677,
 &end
#
#   42 PHE  HA      42 PHE  QB       3.810   (#SUP   3.82 )
 &rst
  ixpk= 3, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 667, 668,
 &end
#
#   42 PHE  HA      42 PHE  QD       3.840   (#SUP   5.91 )
 &rst
  ixpk= 5, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 671, 679,
 &end
#
#   42 PHE  QB      42 PHE  QD       3.430   (#SUP   5.49 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 667, 668,
 igr2= 671, 679,
 &end
#
#   42 PHE  QB      42 PHE  QE       4.710   (#SUP   3.33 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 667, 668,
 igr2= 673, 677,
 &end
#
#   42 PHE  QD      42 PHE  QB       3.420   (#SUP   5.49 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 671, 679,
 igr2= 667, 668,
 &end
#
#   42 PHE  QD      42 PHE  HZ       4.710   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 671, 679,
 &end
#
#   42 PHE  QD      42 PHE  QE       3.030   (#SUP   5.59 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 671, 679,
 igr2= 673, 677,
 &end
#
#   42 PHE  QD      47 GLN  QB       4.070   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 671, 679,
 igr2= 734, 735,
 &end
#
#   42 PHE  QD      75 VAL  HB       4.040   (#SUP   1.90 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 671, 679,
 &end
#
#   42 PHE  QE      42 PHE  QB       4.750   (#SUP   3.33 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 673, 677,
 igr2= 667, 668,
 &end
#
#   42 PHE  QE      42 PHE  HZ       3.365   (#SUP   2.12 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 673, 677,
 &end
#
#   42 PHE  QE      42 PHE  QD       2.980   (#SUP   5.59 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 673, 677,
 igr2= 671, 679,
 &end
#
#   43 PRO  HA      43 PRO  QB       4.370   (#SUP   3.93 )
 &rst
  ixpk= 3, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 690, 691,
 &end
#
#   43 PRO  HA      43 PRO  QG       3.320   (#SUP   3.27 )
 &rst
  ixpk= 3, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 687, 688,
 &end
#
#   44 VAL  HA      47 GLN  QB       4.560   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 734, 735,
 &end
#
#   44 VAL  HA      47 GLN  QG       4.085   (#SUP   3.86 )
 &rst
  ixpk= 3, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 737, 738,
 &end
#
#   47 GLN  HA      47 GLN  QB       3.645   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,
 igr2= 734, 735,
 &end
#
#   47 GLN  HA      47 GLN  QG       3.670   (#SUP   5.75 )
 &rst
  ixpk= 5, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 737, 738,
 &end
#
#   47 GLN  HA      77 VAL  HA       3.525   (#SUP   5.23 )
 &rst
  ixpk= 5, nxpk= 0, iat= 732,1235, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#   47 GLN  QB      77 VAL  HA       4.360   (#SUP   1.95 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 734, 735,
 &end
#
#   48 LYS+ HA      48 LYS+ QD       3.920   (#SUP   1.52 )
 &rst
  ixpk= 1, nxpk= 0, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 757, 758,
 &end
#
#   48 LYS+ HA      49 LEU  HA       4.860   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 749, 771, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   48 LYS+ QB      76 MET  QB       4.380   (#SUP   2.27 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 751, 752,
 igr2=1220,1221,
 &end
#
#   48 LYS+ QB      77 VAL  HA       4.560   (#SUP   2.53 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1235, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 751, 752,
 &end
#
#   49 LEU  HA      49 LEU  HG       3.405   (#SUP   4.35 )
 &rst
  ixpk= 4, nxpk= 0, iat= 771, 776, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   49 LEU  HA      49 LEU  QB       3.095   (#SUP   4.35 )
 &rst
  ixpk= 4, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2= 773, 774,
 &end
#
#   49 LEU  HA      75 VAL  HA       3.625   (#SUP   7.11 )
 &rst
  ixpk= 7, nxpk= 0, iat= 771,1202, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   49 LEU  HA      75 VAL  HB       5.065   (#SUP   1.93 )
 &rst
  ixpk= 1, nxpk= 0, iat= 771,1204, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   50 ILE  HA      50 ILE  HB       3.805   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 790, 792, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   50 ILE  HA      50 ILE  QG1      3.720   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 798, 799,
 &end
#
#   50 ILE  HA      50 ILE  QD1      3.420   (#SUP   3.93 )
 &rst
  ixpk= 3, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 801, 802, 803,
 &end
#
#   50 ILE  HA      55 ILE  HA       3.300   (#SUP   6.72 )
 &rst
  ixpk= 6, nxpk= 0, iat= 790, 869, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   50 ILE  QD1     53 GLY  QA       4.325   (#SUP   2.59 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 801, 802, 803,
 igr2= 840, 841,
 &end
#
#   50 ILE  QD1     54 LYS+ HA       4.920   (#SUP   2.41 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 847, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  QD1     55 ILE  HA       4.310   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  MG2     55 ILE  HA       4.100   (#SUP   3.69 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 794, 795, 796,
 &end
#
#   51 TYR  HA      51 TYR  QB       3.685   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 811, 812,
 &end
#
#   51 TYR  HA      51 TYR  QD       3.185   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 815, 824,
 &end
#
#   51 TYR  HA      51 TYR  QE       4.565   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 817, 822,
 &end
#
#   51 TYR  HA      73 VAL  HA       3.940   (#SUP   6.83 )
 &rst
  ixpk= 6, nxpk= 0, iat= 809,1170, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   51 TYR  QB      51 TYR  QD       3.360   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 811, 812,
 igr2= 815, 824,
 &end
#
#   51 TYR  QB      51 TYR  QE       4.830   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 811, 812,
 igr2= 817, 822,
 &end
#
#   51 TYR  QB      67 ILE  MG2      4.875   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 811, 812,
 igr2=1072,1073,1074,
 &end
#
#   51 TYR  QB      73 VAL  HA       4.460   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 811, 812,
 &end
#
#   51 TYR  QB      51 TYR  QD       3.360   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 811, 812,
 igr2= 815, 824,
 &end
#
#   51 TYR  QB      51 TYR  QE       4.830   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 811, 812,
 igr2= 817, 822,
 &end
#
#   51 TYR  QB      56 LEU  HG       4.950   (#SUP   2.67 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 811, 812,
 &end
#
#   51 TYR  QD      51 TYR  QB       3.370   (#SUP   5.44 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 815, 824,
 igr2= 811, 812,
 &end
#
#   51 TYR  QD      51 TYR  QE       2.790   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 815, 824,
 igr2= 817, 822,
 &end
#
#   51 TYR  QD      52 ALA  MB       4.020   (#SUP   4.98 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 815, 824,
 igr2= 832, 833, 834,
 &end
#
#   51 TYR  QD      54 LYS+ QD       4.060   (#SUP   1.22 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 815, 824,
 igr2= 855, 856,
 &end
#
#   51 TYR  QD      67 ILE  QD1      4.485   (#SUP   2.42 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 815, 824,
 igr2=1079,1080,1081,
 &end
#
#   51 TYR  QD      67 ILE  MG2      3.790   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 815, 824,
 igr2=1072,1073,1074,
 &end
#
#   51 TYR  QD      71 ASN  QB       4.550   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 815, 824,
 igr2=1138,1139,
 &end
#
#   51 TYR  QD      73 VAL  HA       3.385   (#SUP   8.89 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,
 igr1= 815, 824,
 &end
#
#   51 TYR  QD      73 VAL  HB       4.455   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 815, 824,
 &end
#
#   51 TYR  QE      51 TYR  QB       4.540   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1= 817, 822,
 igr2= 811, 812,
 &end
#
#   51 TYR  QE      51 TYR  QD       2.810   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 817, 822,
 igr2= 815, 824,
 &end
#
#   51 TYR  QE      52 ALA  MB       4.145   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 817, 822,
 igr2= 832, 833, 834,
 &end
#
#   51 TYR  QE      67 ILE  HA       3.785   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      67 ILE  QD1      4.450   (#SUP   6.26 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 817, 822,
 igr2=1079,1080,1081,
 &end
#
#   51 TYR  QE      67 ILE  QG1      4.520   (#SUP   4.72 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 817, 822,
 igr2=1076,1077,
 &end
#
#   51 TYR  QE      67 ILE  MG2      3.790   (#SUP   7.52 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 817, 822,
 igr2=1072,1073,1074,
 &end
#
#   51 TYR  QE      71 ASN  HA       4.690   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      71 ASN  QB       3.545   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 817, 822,
 igr2=1138,1139,
 &end
#
#   52 ALA  HA      52 ALA  MB       3.010   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat= 830,  -1, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,
 igr2= 832, 833, 834,
 &end
#
#   52 ALA  MB      52 ALA  HA       2.970   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 830, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr1= 832, 833, 834,
 &end
#
#   54 LYS+ HA      54 LYS+ QB       3.185   (#SUP   3.44 )
 &rst
  ixpk= 3, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 849, 850,
 &end
#
#   54 LYS+ HA      54 LYS+ QG       3.755   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 852, 853,
 &end
#
#   54 LYS+ HA      55 ILE  QD1      4.700   (#SUP   1.14 )
 &rst
  ixpk= 1, nxpk= 0, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 880, 881, 882,
 &end
#
#   54 LYS+ QG      54 LYS+ QE       4.440   (#SUP   1.72 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 852, 853,
 igr2= 858, 859,
 &end
#
#   55 ILE  HA      55 ILE  MG2      3.140   (#SUP   2.70 )
 &rst
  ixpk= 2, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 873, 874, 875,
 &end
#
#   55 ILE  MG2     56 LEU  HA       5.320   (#SUP   3.74 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 873, 874, 875,
 &end
#
#   56 LEU  HA      65 TYR  QE       4.080   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1033,1038,
 &end
#
#   57 ASN  HA      57 ASN  QB       3.380   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2= 909, 910,
 &end
#
#   57 ASN  QB      60 THR  HB       4.320   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 909, 910,
 &end
#
#   57 ASN  QB      60 THR  HB       4.320   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 909, 910,
 &end
#
#   57 ASN  QB      60 THR  MG2      4.755   (#SUP   1.93 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 909, 910,
 igr2= 949, 950, 951,
 &end
#
#   57 ASN  QB      65 TYR  QD       4.620   (#SUP   1.66 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 909, 910,
 igr2=1031,1040,
 &end
#
#   59 ASP- HA      59 ASP- QB       3.855   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 935, 936,
 &end
#
#   60 THR  HA      60 THR  HB       4.215   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 945, 947, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   60 THR  HA      65 TYR  QE       5.260   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=1033,1038,
 &end
#
#   60 THR  HB      65 TYR  QE       3.315   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2=1033,1038,
 &end
#
#   60 THR  MG2     64 GLU- HA       4.795   (#SUP   1.30 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 949, 950, 951,
 &end
#
#   60 THR  MG2     65 TYR  QD       4.655   (#SUP   1.69 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 949, 950, 951,
 igr2=1031,1040,
 &end
#
#   60 THR  MG2     65 TYR  QE       3.555   (#SUP   6.19 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 949, 950, 951,
 igr2=1033,1038,
 &end
#
#   62 LEU  HA      62 LEU  HG       4.100   (#SUP   3.93 )
 &rst
  ixpk= 3, nxpk= 0, iat= 969, 974, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   62 LEU  HA      62 LEU  QB       4.025   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 971, 972,
 &end
#
#   62 LEU  HA      65 TYR  QB       4.880   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1027,1028,
 &end
#
#   62 LEU  HA      65 TYR  QD       3.265   (#SUP   6.80 )
 &rst
  ixpk= 6, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1031,1040,
 &end
#
#   62 LEU  HA      65 TYR  QE       4.260   (#SUP   5.13 )
 &rst
  ixpk= 5, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1033,1038,
 &end
#
#   63 LYS+ HA      63 LYS+ QB       3.050   (#SUP   2.95 )
 &rst
  ixpk= 2, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,
 igr2= 990, 991,
 &end
#
#   63 LYS+ HA      63 LYS+ QD       4.240   (#SUP   3.01 )
 &rst
  ixpk= 3, nxpk= 0, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 996, 997,
 &end
#
#   63 LYS+ QE      64 GLU- QG       5.105   (#SUP   1.76 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 999,1000,
 igr2=1015,1016,
 &end
#
#   64 GLU- HA      64 GLU- QB       4.600   (#SUP   4.93 )
 &rst
  ixpk= 4, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1012,1013,
 &end
#
#   64 GLU- HA      64 GLU- QG       3.630   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2=1015,1016,
 &end
#
#   65 TYR  HA      65 TYR  QB       3.375   (#SUP   3.72 )
 &rst
  ixpk= 3, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1027,1028,
 &end
#
#   65 TYR  HA      65 TYR  QD       3.085   (#SUP   5.96 )
 &rst
  ixpk= 5, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1031,1040,
 &end
#
#   65 TYR  HA      65 TYR  QE       4.645   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1033,1038,
 &end
#
#   65 TYR  QB      65 TYR  QD       3.170   (#SUP   5.90 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=1027,1028,
 igr2=1031,1040,
 &end
#
#   65 TYR  QB      65 TYR  QE       4.180   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1=1027,1028,
 igr2=1033,1038,
 &end
#
#   65 TYR  QB      67 ILE  HB       4.160   (#SUP   1.74 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1027,1028,
 &end
#
#   65 TYR  QB      67 ILE  QD1      4.445   (#SUP   2.81 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1027,1028,
 igr2=1079,1080,1081,
 &end
#
#   65 TYR  QB      65 TYR  QD       3.170   (#SUP   5.90 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=1027,1028,
 igr2=1031,1040,
 &end
#
#   65 TYR  QD      65 TYR  QB       3.170   (#SUP   5.90 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=1031,1040,
 igr2=1027,1028,
 &end
#
#   65 TYR  QD      65 TYR  QE       2.850   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1031,1040,
 igr2=1033,1038,
 &end
#
#   65 TYR  QE      65 TYR  QB       4.070   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1033,1038,
 igr2=1027,1028,
 &end
#
#   65 TYR  QE      65 TYR  QD       2.810   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1=1033,1038,
 igr2=1031,1040,
 &end
#
#   66 LYS+ HA      66 LYS+ QB       3.360   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1048,1049,
 &end
#
#   66 LYS+ HA      66 LYS+ QG       3.430   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat=1046,  -1, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr2=1051,1052,
 &end
#
#   66 LYS+ QG      66 LYS+ QE       4.315   (#SUP   1.99 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1051,1052,
 igr2=1057,1058,
 &end
#
#   67 ILE  HA      67 ILE  HB       3.925   (#SUP   5.00 )
 &rst
  ixpk= 5, nxpk= 0, iat=1068,1070, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   67 ILE  HA      67 ILE  QD1      3.510   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1079,1080,1081,
 &end
#
#   67 ILE  HA      67 ILE  QG1      3.505   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1076,1077,
 &end
#
#   67 ILE  HB      67 ILE  QD1      4.010   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1079,1080,1081,
 &end
#
#   67 ILE  HB      67 ILE  MG2      2.970   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1072,1073,1074,
 &end
#
#   67 ILE  QD1     67 ILE  QG1      2.860   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1=1079,1080,1081,
 igr2=1076,1077,
 &end
#
#   67 ILE  QG1     67 ILE  QD1      2.890   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,
 igr1=1076,1077,
 igr2=1079,1080,1081,
 &end
#
#   67 ILE  MG2     67 ILE  HB       2.960   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1070, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     68 ASP- QB       4.655   (#SUP   2.99 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=1072,1073,1074,
 igr2=1089,1090,
 &end
#
#   67 ILE  MG2     69 GLU- HA       4.625   (#SUP   2.03 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     73 VAL  HA       4.950   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     73 VAL  HB       4.700   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1=1072,1073,1074,
 &end
#
#   68 ASP- QB      70 LYS+ QG       4.915   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr1=1089,1090,
 igr2=1119,1120,
 &end
#
#   69 GLU- HA      69 GLU- QB       4.100   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1101,1102,
 &end
#
#   69 GLU- HA      69 GLU- QG       3.610   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr2=1104,1105,
 &end
#
#   70 LYS+ HA      70 LYS+ QD       3.260   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=1114,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1122,1123,
 &end
#
#   71 ASN  HA      71 ASN  QB       4.615   (#SUP   5.06 )
 &rst
  ixpk= 5, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1138,1139,
 &end
#
#   71 ASN  HA      72 PHE  QD       4.385   (#SUP   4.09 )
 &rst
  ixpk= 4, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1156,1164,
 &end
#
#   72 PHE  HA      72 PHE  QB       3.355   (#SUP   5.67 )
 &rst
  ixpk= 5, nxpk= 0, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1152,1153,
 &end
#
#   72 PHE  HA      72 PHE  QD       4.155   (#SUP   6.57 )
 &rst
  ixpk= 6, nxpk= 0, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1156,1164,
 &end
#
#   72 PHE  HA      73 VAL  HA       4.985   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat=1150,1170, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   72 PHE  QB      72 PHE  QD       3.560   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1152,1153,
 igr2=1156,1164,
 &end
#
#   72 PHE  QB      73 VAL  HA       4.585   (#SUP   4.34 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1152,1153,
 &end
#
#   72 PHE  QB      72 PHE  QD       3.560   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1152,1153,
 igr2=1156,1164,
 &end
#
#   72 PHE  QD      72 PHE  QB       3.560   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1=1156,1164,
 igr2=1152,1153,
 &end
#
#   72 PHE  QD      72 PHE  QE       2.950   (#SUP   3.27 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1=1156,1164,
 igr2=1158,1162,
 &end
#
#   72 PHE  QD      73 VAL  HA       5.075   (#SUP   6.65 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1170, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1156,1164,
 &end
#
#   72 PHE  QD      74 VAL  HA       4.805   (#SUP   4.33 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1156,1164,
 &end
#
#   72 PHE  QE      72 PHE  QD       2.940   (#SUP   3.27 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1158,1162,
 igr2=1156,1164,
 &end
#
#   74 VAL  HA      74 VAL  HB       4.020   (#SUP   4.84 )
 &rst
  ixpk= 4, nxpk= 0, iat=1186,1188, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   75 VAL  HA      75 VAL  HB       3.405   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat=1202,1204, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   77 VAL  HA      77 VAL  HB       3.890   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat=1235,1237, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   78 THR  HA      78 THR  HB       3.750   (#SUP   3.29 )
 &rst
  ixpk= 3, nxpk= 0, iat=1251,1253, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   78 THR  HB      78 THR  MG2      3.310   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat=1253,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2=1255,1256,1257,
 &end
#
#   78 THR  MG2     78 THR  HB       3.270   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1253, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1255,1256,1257,
 &end
#
#   79 LYS+ HA      79 LYS+ QB       4.130   (#SUP   2.62 )
 &rst
  ixpk= 2, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1267,1268,
 &end
#
#   79 LYS+ HA      79 LYS+ QD       3.900   (#SUP   3.22 )
 &rst
  ixpk= 3, nxpk= 0, iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1273,1274,
 &end
#
#   79 LYS+ QD      80 PRO  QD       4.650   (#SUP   3.41 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1273,1274,
 igr2=1286,1287,
 &end
#
#   79 LYS+ QG      80 PRO  QD       4.770   (#SUP   2.33 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1=1270,1271,
 igr2=1286,1287,
 &end
#
#   80 PRO  HA      80 PRO  QB       4.100   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat=1295,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1292,1293,
 &end
#
#   80 PRO  QB      80 PRO  QD       3.840   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1292,1293,
 igr2=1286,1287,
 &end
#
#   80 PRO  QD      80 PRO  QG       3.770   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1=1286,1287,
 igr2=1289,1290,
 &end
#
#   80 PRO  QD      80 PRO  QB       3.790   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1286,1287,
 igr2=1292,1293,
 &end
#
#   80 PRO  QG      80 PRO  QD       3.750   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1289,1290,
 igr2=1286,1287,
 &end
#
#   81 LYS+ QG      81 LYS+ QE       4.935   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1306,1307,
 igr2=1312,1313,
 &end
#
#    3 HIS  HN       3 HIS  QB       4.120   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=  22,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=  26,  27,
 &end
#
#    3 HIS  HN       4 MET  HN       5.500   (#SUP   2.17 )
 &rst
  ixpk= 2, nxpk= 0, iat=  22,  39, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 HIS  QB       4 MET  HN       3.480   (#SUP   2.17 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  39, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  26,  27,
 &end
#
#    3 HIS  QB      20 ILE  HN       4.050   (#SUP   4.15 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=  26,  27,
 &end
#
#    3 HIS  QB      21 ASP- HN       5.420   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=  26,  27,
 &end
#
#    4 MET  HA       5 GLN  HN       3.220   (#SUP   2.36 )
 &rst
  ixpk= 2, nxpk= 0, iat=  41,  56, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#    4 MET  QB      20 ILE  HN       5.500   (#SUP   3.75 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  43,  44,
 &end
#
#    4 MET  QG      20 ILE  HN       5.180   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=  46,  47,
 &end
#
#    4 MET  QG       5 GLN  HN       4.450   (#SUP   3.09 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  56, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=  46,  47,
 &end
#
#    4 MET  QG      20 ILE  HN       5.180   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=  46,  47,
 &end
#
#    4 MET  HN       4 MET  QB       4.330   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=  43,  44,
 &end
#
#    4 MET  HN       4 MET  QG       4.340   (#SUP   2.72 )
 &rst
  ixpk= 2, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2=  46,  47,
 &end
#
#    4 MET  HN      19 ASP- HA       5.230   (#SUP   4.70 )
 &rst
  ixpk= 4, nxpk= 0, iat=  39, 305, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#    4 MET  HN      20 ILE  HN       4.075   (#SUP   8.22 )
 &rst
  ixpk= 8, nxpk= 0, iat=  39, 315, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#    4 MET  HN      20 ILE  QD1      4.660   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 328, 329, 330,
 &end
#
#    4 MET  HN      21 ASP- HN       5.500   (#SUP   4.59 )
 &rst
  ixpk= 4, nxpk= 0, iat=  39, 334, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    4 MET  HN      22 PRO  QD       4.530   (#SUP   1.49 )
 &rst
  ixpk= 1, nxpk= 0, iat=  39,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 347, 348,
 &end
#
#    5 GLN  HA       6 VAL  HN       3.030   (#SUP   4.29 )
 &rst
  ixpk= 4, nxpk= 0, iat=  58,  73, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#    5 GLN  HA      18 ILE  HN       4.660   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat=  58, 284, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#    5 GLN  HA      19 ASP- HN       5.390   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat=  58, 303, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#    5 GLN  HA      20 ILE  HN       4.200   (#SUP   6.05 )
 &rst
  ixpk= 6, nxpk= 0, iat=  58, 315, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#    5 GLN  QE2     17 LYS+ QD       5.500   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  68,  69,
 igr2= 272, 273,
 &end
#
#    5 GLN  QE2     17 LYS+ QD       5.500   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  68,  69,
 igr2= 272, 273,
 &end
#
#    5 GLN  QG       5 GLN  QE2      4.980   (#SUP   2.97 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1=  63,  64,
 igr2=  68,  69,
 &end
#
#    5 GLN  QG       6 VAL  HN       4.790   (#SUP   3.21 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  73, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1=  63,  64,
 &end
#
#    5 GLN  HN       5 GLN  HA       3.830   (#SUP   6.16 )
 &rst
  ixpk= 6, nxpk= 0, iat=  56,  58, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#    5 GLN  HN       5 GLN  QB       3.790   (#SUP   4.46 )
 &rst
  ixpk= 4, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=  60,  61,
 &end
#
#    5 GLN  HN       5 GLN  QG       3.980   (#SUP   6.01 )
 &rst
  ixpk= 6, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=  63,  64,
 &end
#
#    5 GLN  HN       6 VAL  HN       4.880   (#SUP   4.24 )
 &rst
  ixpk= 4, nxpk= 0, iat=  56,  73, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#    5 GLN  HN      19 ASP- HA       5.500   (#SUP   6.49 )
 &rst
  ixpk= 6, nxpk= 0, iat=  56, 305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    5 GLN  HN      19 ASP- QB       4.300   (#SUP   2.61 )
 &rst
  ixpk= 2, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 307, 308,
 &end
#
#    6 VAL  HA       7 THR  HN       2.990   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  75,  89, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#    6 VAL  HA      18 ILE  HN       5.500   (#SUP   1.97 )
 &rst
  ixpk= 1, nxpk= 0, iat=  75, 284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    6 VAL  HB       7 THR  HN       4.290   (#SUP   3.15 )
 &rst
  ixpk= 3, nxpk= 0, iat=  77,  89, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#    6 VAL  HB      18 ILE  HN       4.250   (#SUP   1.97 )
 &rst
  ixpk= 1, nxpk= 0, iat=  77, 284, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#    6 VAL  HN       6 VAL  HA       4.070   (#SUP   3.16 )
 &rst
  ixpk= 3, nxpk= 0, iat=  73,  75, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#    6 VAL  HN       6 VAL  HB       3.410   (#SUP   3.06 )
 &rst
  ixpk= 3, nxpk= 0, iat=  73,  77, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#    6 VAL  HN      18 ILE  HB       4.210   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat=  73, 288, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#    6 VAL  HN      18 ILE  HN       3.955   (#SUP   6.69 )
 &rst
  ixpk= 6, nxpk= 0, iat=  73, 284, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#    6 VAL  HN      18 ILE  QG1      4.880   (#SUP   2.26 )
 &rst
  ixpk= 2, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 294, 295,
 &end
#
#    6 VAL  HN      19 ASP- HA       4.280   (#SUP   6.32 )
 &rst
  ixpk= 6, nxpk= 0, iat=  73, 305, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#    7 THR  HA       8 LEU  HN       3.100   (#SUP   5.12 )
 &rst
  ixpk= 5, nxpk= 0, iat=  91, 103, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#    7 THR  HA      16 PHE  HN       4.650   (#SUP   3.77 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91, 242, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#    7 THR  HA      17 LYS+ HN       4.990   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  91, 262, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#    7 THR  HB       8 LEU  HN       4.940   (#SUP   3.84 )
 &rst
  ixpk= 3, nxpk= 0, iat=  93, 103, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#    7 THR  HB      72 PHE  HN       5.270   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat=  93,1148, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#    7 THR  HB      73 VAL  HN       5.110   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat=  93,1168, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#    7 THR  HN       7 THR  HA       4.030   (#SUP   4.53 )
 &rst
  ixpk= 4, nxpk= 0, iat=  89,  91, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#    7 THR  HN       7 THR  HB       3.600   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat=  89,  93, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#    7 THR  HN       7 THR  MG2      4.350   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=  95,  96,  97,
 &end
#
#    7 THR  HN       8 LEU  HG       4.900   (#SUP   2.26 )
 &rst
  ixpk= 2, nxpk= 0, iat=  89, 110, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#    7 THR  HN      17 LYS+ HA       5.480   (#SUP   2.54 )
 &rst
  ixpk= 2, nxpk= 0, iat=  89, 264, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#    7 THR  HN      17 LYS+ QD       5.500   (#SUP   1.55 )
 &rst
  ixpk= 1, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 272, 273,
 &end
#
#    7 THR  HN      67 ILE  MG2      5.330   (#SUP   1.45 )
 &rst
  ixpk= 1, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2=1072,1073,1074,
 &end
#
#    7 THR  HN      72 PHE  HA       4.710   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  89,1150, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#    7 THR  MG2      8 LEU  HN       3.620   (#SUP   4.56 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 103, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2     18 ILE  HN       5.500   (#SUP   1.03 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  95,  96,  97,
 &end
#
#    7 THR  MG2     72 PHE  HN       5.270   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1=  95,  96,  97,
 &end
#
#    8 LEU  HA       9 LYS+ HN       3.140   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 105, 122, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#    8 LEU  HA      73 VAL  HN       4.570   (#SUP   2.43 )
 &rst
  ixpk= 2, nxpk= 0, iat= 105,1168, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#    8 LEU  HA      75 VAL  HN       5.500   (#SUP   1.22 )
 &rst
  ixpk= 1, nxpk= 0, iat= 105,1200, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  QB       9 LYS+ HN       4.660   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 107, 108,
 &end
#
#    8 LEU  QB      16 PHE  HN       5.090   (#SUP   3.69 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 107, 108,
 &end
#
#    8 LEU  QB       9 LYS+ HN       4.660   (#SUP   4.44 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 107, 108,
 &end
#
#    8 LEU  HG      16 PHE  HN       5.040   (#SUP   7.49 )
 &rst
  ixpk= 7, nxpk= 0, iat= 110, 242, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#    8 LEU  HG      17 LYS+ HN       5.270   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 110, 262, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
#    8 LEU  HG      18 ILE  HN       3.970   (#SUP   1.55 )
 &rst
  ixpk= 1, nxpk= 0, iat= 110, 284, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#    8 LEU  HN       8 LEU  HA       4.300   (#SUP   7.18 )
 &rst
  ixpk= 7, nxpk= 0, iat= 103, 105, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#    8 LEU  HN       8 LEU  QB       4.600   (#SUP   5.75 )
 &rst
  ixpk= 5, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 107, 108,
 &end
#
#    8 LEU  HN       8 LEU  HG       3.700   (#SUP   5.97 )
 &rst
  ixpk= 5, nxpk= 0, iat= 103, 110, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#    8 LEU  HN       9 LYS+ HN       5.500   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 103, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  HN      15 THR  HA       5.500   (#SUP   2.44 )
 &rst
  ixpk= 2, nxpk= 0, iat= 103, 230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    8 LEU  HN      16 PHE  HN       3.945   (#SUP   5.78 )
 &rst
  ixpk= 5, nxpk= 0, iat= 103, 242, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#    8 LEU  HN      17 LYS+ HA       4.140   (#SUP   3.34 )
 &rst
  ixpk= 3, nxpk= 0, iat= 103, 264, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#    8 LEU  HN      17 LYS+ QD       5.200   (#SUP   2.38 )
 &rst
  ixpk= 2, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 272, 273,
 &end
#
#    9 LYS+ HA      10 THR  HN       3.050   (#SUP   4.37 )
 &rst
  ixpk= 4, nxpk= 0, iat= 124, 144, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
#    9 LYS+ HA      15 THR  HN       5.500   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat= 124, 228, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    9 LYS+ HA      16 PHE  HN       4.230   (#SUP   7.27 )
 &rst
  ixpk= 7, nxpk= 0, iat= 124, 242, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#    9 LYS+ QG      10 THR  HN       5.500   (#SUP   2.21 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 129, 130,
 &end
#
#    9 LYS+ QG      73 VAL  HN       4.080   (#SUP   2.36 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 129, 130,
 &end
#
#    9 LYS+ QG      10 THR  HN       5.500   (#SUP   2.21 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 129, 130,
 &end
#
#    9 LYS+ QG      14 GLN  HN       5.000   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 129, 130,
 &end
#
#    9 LYS+ HN       9 LYS+ HA       4.060   (#SUP   3.61 )
 &rst
  ixpk= 3, nxpk= 0, iat= 122, 124, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#    9 LYS+ HN       9 LYS+ QB       3.680   (#SUP   2.41 )
 &rst
  ixpk= 2, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 126, 127,
 &end
#
#    9 LYS+ HN      15 THR  MG2      3.550   (#SUP   2.46 )
 &rst
  ixpk= 2, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2= 234, 235, 236,
 &end
#
#    9 LYS+ HN      72 PHE  QB       5.500   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1152,1153,
 &end
#
#    9 LYS+ HN      72 PHE  QD       5.390   (#SUP   5.30 )
 &rst
  ixpk= 5, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1156,1164,
 &end
#
#    9 LYS+ HN      73 VAL  HN       4.655   (#SUP   5.19 )
 &rst
  ixpk= 5, nxpk= 0, iat= 122,1168, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#    9 LYS+ HN      74 VAL  HA       3.890   (#SUP   3.71 )
 &rst
  ixpk= 3, nxpk= 0, iat= 122,1186, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#    9 LYS+ QB      75 VAL  HN       5.410   (#SUP   1.95 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 126, 127,
 &end
#
#   10 THR  HA      11 LEU  HN       3.550   (#SUP   4.89 )
 &rst
  ixpk= 4, nxpk= 0, iat= 146, 158, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   10 THR  HA      75 VAL  HN       4.130   (#SUP   3.65 )
 &rst
  ixpk= 3, nxpk= 0, iat= 146,1200, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   10 THR  HB      11 LEU  HN       3.420   (#SUP   5.55 )
 &rst
  ixpk= 5, nxpk= 0, iat= 148, 158, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#   10 THR  HB      12 GLN  HN       4.040   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat= 148, 177, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   10 THR  HB      13 GLN  HN       5.500   (#SUP   4.42 )
 &rst
  ixpk= 4, nxpk= 0, iat= 148, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 THR  HN      10 THR  HA       4.020   (#SUP   4.13 )
 &rst
  ixpk= 4, nxpk= 0, iat= 144, 146, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   10 THR  HN      10 THR  HB       4.800   (#SUP   3.90 )
 &rst
  ixpk= 3, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   10 THR  HN      10 THR  MG2      3.440   (#SUP   4.60 )
 &rst
  ixpk= 4, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 150, 151, 152,
 &end
#
#   10 THR  HN      11 LEU  HN       5.010   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 144, 158, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#   10 THR  HN      13 GLN  HA       5.210   (#SUP   2.40 )
 &rst
  ixpk= 2, nxpk= 0, iat= 144, 196, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   10 THR  HN      13 GLN  HN       5.220   (#SUP   6.80 )
 &rst
  ixpk= 6, nxpk= 0, iat= 144, 194, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   10 THR  HN      14 GLN  HA       5.500   (#SUP   3.98 )
 &rst
  ixpk= 3, nxpk= 0, iat= 144, 213, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   10 THR  HN      14 GLN  QB       5.260   (#SUP   3.90 )
 &rst
  ixpk= 3, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 215, 216,
 &end
#
#   10 THR  HN      14 GLN  HN       3.970   (#SUP   9.01 )
 &rst
  ixpk= 9, nxpk= 0, iat= 144, 211, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   10 THR  HN      14 GLN  QG       5.500   (#SUP   3.98 )
 &rst
  ixpk= 3, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 218, 219,
 &end
#
#   10 THR  HN      15 THR  HA       4.400   (#SUP   5.16 )
 &rst
  ixpk= 5, nxpk= 0, iat= 144, 230, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   10 THR  MG2     11 LEU  HN       4.350   (#SUP   5.55 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     12 GLN  HN       4.860   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     13 GLN  HN       5.500   (#SUP   5.56 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     14 GLN  HN       4.400   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     16 PHE  HN       5.140   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 150, 151, 152,
 &end
#
#   10 THR  MG2     75 VAL  HN       4.790   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 150, 151, 152,
 &end
#
#   11 LEU  HA      12 GLN  HN       4.860   (#SUP   7.06 )
 &rst
  ixpk= 7, nxpk= 0, iat= 160, 177, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   11 LEU  HA      13 GLN  HN       4.660   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat= 160, 194, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   11 LEU  HG      12 GLN  QE2      5.500   (#SUP   3.60 )
 &rst
  ixpk= 3, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 189, 190,
 &end
#
#   11 LEU  HG      12 GLN  HN       5.300   (#SUP   5.92 )
 &rst
  ixpk= 5, nxpk= 0, iat= 165, 177, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   11 LEU  HN      11 LEU  HA       4.010   (#SUP   6.44 )
 &rst
  ixpk= 6, nxpk= 0, iat= 158, 160, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   11 LEU  HN      11 LEU  HG       4.080   (#SUP   6.70 )
 &rst
  ixpk= 6, nxpk= 0, iat= 158, 165, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   11 LEU  HN      11 LEU  QB       3.260   (#SUP   6.90 )
 &rst
  ixpk= 6, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2= 162, 163,
 &end
#
#   11 LEU  HN      12 GLN  HN       4.350   (#SUP   8.82 )
 &rst
  ixpk= 8, nxpk= 0, iat= 158, 177, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   11 LEU  HN      12 GLN  QG       5.480   (#SUP   3.60 )
 &rst
  ixpk= 3, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 184, 185,
 &end
#
#   11 LEU  HN      13 GLN  HN       5.500   (#SUP   6.29 )
 &rst
  ixpk= 6, nxpk= 0, iat= 158, 194, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   11 LEU  QB      12 GLN  QE2      5.500   (#SUP   3.93 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 162, 163,
 igr2= 189, 190,
 &end
#
#   11 LEU  QB      12 GLN  HN       4.610   (#SUP   6.07 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 177, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 162, 163,
 &end
#
#   12 GLN  HA      13 GLN  HN       4.100   (#SUP   6.69 )
 &rst
  ixpk= 6, nxpk= 0, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   12 GLN  QB      12 GLN  QE2      5.500   (#SUP   2.03 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 181, 182,
 igr2= 189, 190,
 &end
#
#   12 GLN  QB      13 GLN  QE2      4.950   (#SUP   3.38 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 181, 182,
 igr2= 206, 207,
 &end
#
#   12 GLN  QB      13 GLN  HN       4.490   (#SUP   6.44 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 181, 182,
 &end
#
#   12 GLN  QB      14 GLN  HN       4.820   (#SUP   2.75 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 181, 182,
 &end
#
#   12 GLN  HN      12 GLN  HA       4.200   (#SUP   6.70 )
 &rst
  ixpk= 6, nxpk= 0, iat= 177, 179, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   12 GLN  HN      12 GLN  QB       5.050   (#SUP   4.88 )
 &rst
  ixpk= 4, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 181, 182,
 &end
#
#   12 GLN  HN      12 GLN  QE2      5.500   (#SUP   5.81 )
 &rst
  ixpk= 5, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 189, 190,
 &end
#
#   12 GLN  HN      12 GLN  QG       3.910   (#SUP   6.43 )
 &rst
  ixpk= 6, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr2= 184, 185,
 &end
#
#   12 GLN  HN      13 GLN  HA       5.200   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat= 177, 196, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   12 GLN  HN      13 GLN  HN       3.955   (#SUP   8.47 )
 &rst
  ixpk= 8, nxpk= 0, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   12 GLN  HN      14 GLN  HN       4.975   (#SUP   3.13 )
 &rst
  ixpk= 3, nxpk= 0, iat= 177, 211, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   12 GLN  QG      12 GLN  QE2      5.350   (#SUP   3.33 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 184, 185,
 igr2= 189, 190,
 &end
#
#   13 GLN  HA      14 GLN  HN       3.750   (#SUP   4.67 )
 &rst
  ixpk= 4, nxpk= 0, iat= 196, 211, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   13 GLN  QG      13 GLN  QE2      5.450   (#SUP   2.13 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1= 201, 202,
 igr2= 206, 207,
 &end
#
#   13 GLN  HN      13 GLN  HA       3.010   (#SUP   5.86 )
 &rst
  ixpk= 5, nxpk= 0, iat= 194, 196, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#   13 GLN  HN      13 GLN  QE2      5.500   (#SUP   5.76 )
 &rst
  ixpk= 5, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 206, 207,
 &end
#
#   13 GLN  HN      13 GLN  QG       4.180   (#SUP   6.20 )
 &rst
  ixpk= 6, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 201, 202,
 &end
#
#   13 GLN  HN      13 GLN  QB       3.970   (#SUP   4.91 )
 &rst
  ixpk= 4, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 198, 199,
 &end
#
#   13 GLN  HN      14 GLN  HN       3.645   (#SUP   5.61 )
 &rst
  ixpk= 5, nxpk= 0, iat= 194, 211, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   14 GLN  HA      15 THR  HN       2.960   (#SUP   4.93 )
 &rst
  ixpk= 4, nxpk= 0, iat= 213, 228, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#   14 GLN  QB      15 THR  HN       4.220   (#SUP   4.70 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 215, 216,
 &end
#
#   14 GLN  HN      14 GLN  HA       3.840   (#SUP   5.51 )
 &rst
  ixpk= 5, nxpk= 0, iat= 211, 213, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   14 GLN  HN      14 GLN  QB       3.710   (#SUP   5.06 )
 &rst
  ixpk= 5, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 215, 216,
 &end
#
#   14 GLN  HN      14 GLN  QG       3.590   (#SUP   5.48 )
 &rst
  ixpk= 5, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 218, 219,
 &end
#
#   14 GLN  HN      15 THR  HA       5.500   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat= 211, 230, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   14 GLN  HN      15 THR  HN       5.065   (#SUP   6.06 )
 &rst
  ixpk= 6, nxpk= 0, iat= 211, 228, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   14 GLN  HN      15 THR  MG2      5.420   (#SUP   3.48 )
 &rst
  ixpk= 3, nxpk= 0, iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr2= 234, 235, 236,
 &end
#
#   14 GLN  QG      14 GLN  QE2      4.600   (#SUP   2.01 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 218, 219,
 igr2= 223, 224,
 &end
#
#   14 GLN  QG      15 THR  HN       4.170   (#SUP   6.21 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 228, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 218, 219,
 &end
#
#   15 THR  HA      16 PHE  HN       3.090   (#SUP   5.23 )
 &rst
  ixpk= 5, nxpk= 0, iat= 230, 242, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#   15 THR  HB      16 PHE  HN       3.760   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 232, 242, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   15 THR  HN      15 THR  HA       4.070   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat= 228, 230, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   15 THR  HN      15 THR  HB       3.950   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat= 228, 232, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   15 THR  HN      15 THR  MG2      3.870   (#SUP   6.00 )
 &rst
  ixpk= 6, nxpk= 0, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 234, 235, 236,
 &end
#
#   15 THR  HN      16 PHE  HN       5.500   (#SUP   5.22 )
 &rst
  ixpk= 5, nxpk= 0, iat= 228, 242, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   15 THR  HN      16 PHE  QD       5.500   (#SUP   6.60 )
 &rst
  ixpk= 6, nxpk= 0, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 250, 258,
 &end
#
#   15 THR  MG2     16 PHE  HN       3.510   (#SUP   5.56 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1= 234, 235, 236,
 &end
#
#   15 THR  MG2     17 LYS+ HN       5.340   (#SUP   2.24 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 234, 235, 236,
 &end
#
#   16 PHE  HA      17 LYS+ HN       3.220   (#SUP   5.77 )
 &rst
  ixpk= 5, nxpk= 0, iat= 244, 262, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   16 PHE  QB      17 LYS+ HN       3.700   (#SUP   5.14 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 246, 247,
 &end
#
#   16 PHE  HN      16 PHE  HA       3.930   (#SUP   5.95 )
 &rst
  ixpk= 5, nxpk= 0, iat= 242, 244, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   16 PHE  HN      16 PHE  QB       4.800   (#SUP   5.24 )
 &rst
  ixpk= 5, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 246, 247,
 &end
#
#   16 PHE  HN      16 PHE  QD       4.070   (#SUP   8.12 )
 &rst
  ixpk= 8, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr2= 250, 258,
 &end
#
#   16 PHE  HN      16 PHE  QE       5.120   (#SUP   3.91 )
 &rst
  ixpk= 3, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 252, 256,
 &end
#
#   16 PHE  HN      17 LYS+ QG       4.900   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 269, 270,
 &end
#
#   16 PHE  QD      17 LYS+ HN       4.130   (#SUP   8.20 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 262, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 250, 258,
 &end
#
#   16 PHE  QE      33 ILE  HN       5.500   (#SUP   4.50 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 252, 256,
 &end
#
#   17 LYS+ HA      18 ILE  HN       3.090   (#SUP   3.66 )
 &rst
  ixpk= 3, nxpk= 0, iat= 264, 284, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#   17 LYS+ HN      17 LYS+ HA       3.950   (#SUP   5.39 )
 &rst
  ixpk= 5, nxpk= 0, iat= 262, 264, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   17 LYS+ HN      17 LYS+ QB       3.550   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 266, 267,
 &end
#
#   17 LYS+ HN      17 LYS+ QD       3.720   (#SUP   3.64 )
 &rst
  ixpk= 3, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 272, 273,
 &end
#
#   17 LYS+ HN      17 LYS+ QE       5.500   (#SUP   3.13 )
 &rst
  ixpk= 3, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 275, 276,
 &end
#
#   17 LYS+ HN      17 LYS+ QG       3.700   (#SUP   5.38 )
 &rst
  ixpk= 5, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 269, 270,
 &end
#
#   17 LYS+ HN      18 ILE  QD1      5.280   (#SUP   2.88 )
 &rst
  ixpk= 2, nxpk= 0, iat= 262,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 297, 298, 299,
 &end
#
#   17 LYS+ QB      18 ILE  HN       4.570   (#SUP   2.82 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 284, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 266, 267,
 &end
#
#   18 ILE  HA      19 ASP- HN       2.970   (#SUP   4.33 )
 &rst
  ixpk= 4, nxpk= 0, iat= 286, 303, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#   18 ILE  HB      19 ASP- HN       4.270   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat= 288, 303, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   18 ILE  HN      18 ILE  HA       3.740   (#SUP   4.95 )
 &rst
  ixpk= 4, nxpk= 0, iat= 284, 286, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   18 ILE  HN      18 ILE  HB       3.240   (#SUP   5.51 )
 &rst
  ixpk= 5, nxpk= 0, iat= 284, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 ILE  HN      18 ILE  QD1      3.680   (#SUP   4.11 )
 &rst
  ixpk= 4, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 297, 298, 299,
 &end
#
#   18 ILE  HN      18 ILE  QG1      4.010   (#SUP   5.03 )
 &rst
  ixpk= 5, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 294, 295,
 &end
#
#   18 ILE  HN      18 ILE  MG2      4.090   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat= 284,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 290, 291, 292,
 &end
#
#   18 ILE  HN      19 ASP- HN       5.055   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat= 284, 303, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   18 ILE  QG1     19 ASP- HN       5.170   (#SUP   4.67 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 294, 295,
 &end
#
#   18 ILE  QG1     33 ILE  HN       5.380   (#SUP   0.73 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 294, 295,
 &end
#
#   18 ILE  MG2     19 ASP- HN       5.480   (#SUP   4.33 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 303, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 290, 291, 292,
 &end
#
#   18 ILE  MG2     33 ILE  HN       5.270   (#SUP   1.90 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 290, 291, 292,
 &end
#
#   19 ASP- HA      20 ILE  HN       3.010   (#SUP   5.90 )
 &rst
  ixpk= 5, nxpk= 0, iat= 305, 315, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#   19 ASP- HN      19 ASP- HA       3.900   (#SUP   6.95 )
 &rst
  ixpk= 6, nxpk= 0, iat= 303, 305, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   19 ASP- HN      19 ASP- QB       3.170   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 307, 308,
 &end
#
#   19 ASP- HN      20 ILE  HN       5.160   (#SUP   4.73 )
 &rst
  ixpk= 4, nxpk= 0, iat= 303, 315, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   19 ASP- HN      20 ILE  QD1      5.500   (#SUP   3.02 )
 &rst
  ixpk= 3, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 328, 329, 330,
 &end
#
#   19 ASP- HN      20 ILE  MG2      3.360   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 321, 322, 323,
 &end
#
#   19 ASP- HN      32 LYS+ QE       5.330   (#SUP   1.53 )
 &rst
  ixpk= 1, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 521, 522,
 &end
#
#   19 ASP- QB      20 ILE  HN       4.020   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 315, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 307, 308,
 &end
#
#   20 ILE  HA      21 ASP- HN       3.180   (#SUP   5.87 )
 &rst
  ixpk= 5, nxpk= 0, iat= 317, 334, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#   20 ILE  HB      21 ASP- HN       3.310   (#SUP   5.57 )
 &rst
  ixpk= 5, nxpk= 0, iat= 319, 334, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   20 ILE  HN      20 ILE  HA       3.810   (#SUP   7.38 )
 &rst
  ixpk= 7, nxpk= 0, iat= 315, 317, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   20 ILE  HN      20 ILE  HB       3.830   (#SUP   6.02 )
 &rst
  ixpk= 6, nxpk= 0, iat= 315, 319, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 ILE  HN      20 ILE  QD1      3.420   (#SUP   6.50 )
 &rst
  ixpk= 6, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 328, 329, 330,
 &end
#
#   20 ILE  HN      20 ILE  QG1      5.040   (#SUP   5.36 )
 &rst
  ixpk= 5, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 325, 326,
 &end
#
#   20 ILE  HN      20 ILE  MG2      4.160   (#SUP   6.49 )
 &rst
  ixpk= 6, nxpk= 0, iat= 315,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 321, 322, 323,
 &end
#
#   20 ILE  HN      21 ASP- HN       5.215   (#SUP   5.93 )
 &rst
  ixpk= 5, nxpk= 0, iat= 315, 334, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   20 ILE  QD1     21 ASP- HN       4.520   (#SUP   5.53 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 328, 329, 330,
 &end
#
#   20 ILE  QD1     24 GLU- HN       5.500   (#SUP   1.69 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 328, 329, 330,
 &end
#
#   20 ILE  QD1     29 LEU  HN       5.500   (#SUP   2.00 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 328, 329, 330,
 &end
#
#   20 ILE  QG1     21 ASP- HN       3.680   (#SUP   5.29 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr1= 325, 326,
 &end
#
#   20 ILE  QG1     24 GLU- HN       4.510   (#SUP   3.19 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 325, 326,
 &end
#
#   20 ILE  QG1     29 LEU  HN       5.500   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 325, 326,
 &end
#
#   20 ILE  MG2     21 ASP- HN       4.010   (#SUP   5.76 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 321, 322, 323,
 &end
#
#   20 ILE  MG2     32 LYS+ HN       4.160   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 321, 322, 323,
 &end
#
#   21 ASP- HA      23 GLU- HN       4.800   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat= 336, 360, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   21 ASP- HA      24 GLU- HN       5.500   (#SUP   3.71 )
 &rst
  ixpk= 3, nxpk= 0, iat= 336, 375, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   21 ASP- QB      23 GLU- HN       4.710   (#SUP   3.76 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 338, 339,
 &end
#
#   21 ASP- QB      24 GLU- HN       4.460   (#SUP   3.09 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 338, 339,
 &end
#
#   21 ASP- HN      21 ASP- HA       3.860   (#SUP   5.94 )
 &rst
  ixpk= 5, nxpk= 0, iat= 334, 336, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   21 ASP- HN      21 ASP- QB       3.440   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 338, 339,
 &end
#
#   21 ASP- HN      22 PRO  QD       5.200   (#SUP   2.61 )
 &rst
  ixpk= 2, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 347, 348,
 &end
#
#   21 ASP- HN      24 GLU- QB       4.320   (#SUP   0.02 )
 &rst
  ixpk= 0, nxpk= 0, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 379, 380,
 &end
#
#   22 PRO  HA      23 GLU- HN       4.350   (#SUP   7.66 )
 &rst
  ixpk= 7, nxpk= 0, iat= 356, 360, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   22 PRO  HA      24 GLU- HN       4.520   (#SUP   3.04 )
 &rst
  ixpk= 3, nxpk= 0, iat= 356, 375, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   22 PRO  HA      63 LYS+ HN       4.290   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 986, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   22 PRO  QB      23 GLU- HN       4.480   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 353, 354,
 &end
#
#   22 PRO  QB      63 LYS+ HN       4.460   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 353, 354,
 &end
#
#   22 PRO  QD      23 GLU- HN       4.810   (#SUP   5.42 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 347, 348,
 &end
#
#   22 PRO  QG      23 GLU- HN       4.370   (#SUP   5.14 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 350, 351,
 &end
#
#   23 GLU- HA      24 GLU- HN       4.250   (#SUP   5.02 )
 &rst
  ixpk= 5, nxpk= 0, iat= 362, 375, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   23 GLU- QB      24 GLU- HN       4.250   (#SUP   4.10 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 364, 365,
 &end
#
#   23 GLU- HN      23 GLU- HA       3.510   (#SUP   5.79 )
 &rst
  ixpk= 5, nxpk= 0, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   23 GLU- HN      23 GLU- QB       3.950   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 364, 365,
 &end
#
#   23 GLU- HN      23 GLU- QG       3.760   (#SUP   4.52 )
 &rst
  ixpk= 4, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2= 367, 368,
 &end
#
#   23 GLU- HN      24 GLU- HA       5.500   (#SUP   2.98 )
 &rst
  ixpk= 2, nxpk= 0, iat= 360, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   23 GLU- HN      24 GLU- HN       3.345   (#SUP   5.84 )
 &rst
  ixpk= 5, nxpk= 0, iat= 360, 375, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   23 GLU- HN      61 ALA  MB       5.500   (#SUP   1.27 )
 &rst
  ixpk= 1, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 961, 962, 963,
 &end
#
#   23 GLU- HN      63 LYS+ QG       5.500   (#SUP   0.89 )
 &rst
  ixpk= 0, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 993, 994,
 &end
#
#   23 GLU- HN      63 LYS+ QD       5.040   (#SUP   3.28 )
 &rst
  ixpk= 3, nxpk= 0, iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 996, 997,
 &end
#
#   24 GLU- HA      25 THR  HN       3.110   (#SUP   2.60 )
 &rst
  ixpk= 2, nxpk= 0, iat= 377, 390, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#   24 GLU- HN      24 GLU- HA       3.720   (#SUP   4.25 )
 &rst
  ixpk= 4, nxpk= 0, iat= 375, 377, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   24 GLU- HN      24 GLU- QB       2.920   (#SUP   3.15 )
 &rst
  ixpk= 3, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2= 379, 380,
 &end
#
#   24 GLU- HN      24 GLU- QG       3.640   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 382, 383,
 &end
#
#   24 GLU- HN      61 ALA  MB       5.500   (#SUP   3.60 )
 &rst
  ixpk= 3, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 961, 962, 963,
 &end
#
#   24 GLU- HN      62 LEU  HG       4.890   (#SUP   2.57 )
 &rst
  ixpk= 2, nxpk= 0, iat= 375, 974, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   24 GLU- HN      62 LEU  HN       5.500   (#SUP   5.26 )
 &rst
  ixpk= 5, nxpk= 0, iat= 375, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   24 GLU- HN      62 LEU  QB       4.140   (#SUP   2.54 )
 &rst
  ixpk= 2, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 971, 972,
 &end
#
#   24 GLU- HN      63 LYS+ QD       5.130   (#SUP   3.28 )
 &rst
  ixpk= 3, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 996, 997,
 &end
#
#   24 GLU- QB      62 LEU  HN       5.500   (#SUP   1.21 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 379, 380,
 &end
#
#   24 GLU- QG      25 THR  HN       4.990   (#SUP   2.24 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 390, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 382, 383,
 &end
#
#   25 THR  HA      26 VAL  HN       3.390   (#SUP   4.55 )
 &rst
  ixpk= 4, nxpk= 0, iat= 392, 404, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#   25 THR  HA      27 LYS+ HN       4.390   (#SUP   3.59 )
 &rst
  ixpk= 3, nxpk= 0, iat= 392, 420, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   25 THR  HA      60 THR  HN       4.610   (#SUP   4.35 )
 &rst
  ixpk= 4, nxpk= 0, iat= 392, 943, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   25 THR  HA      61 ALA  HN       4.640   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 392, 957, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   25 THR  HA      62 LEU  HN       3.760   (#SUP   5.99 )
 &rst
  ixpk= 5, nxpk= 0, iat= 392, 967, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   25 THR  HB      26 VAL  HN       3.470   (#SUP   4.55 )
 &rst
  ixpk= 4, nxpk= 0, iat= 394, 404, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   25 THR  HB      27 LYS+ HN       3.700   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 394, 420, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   25 THR  HB      28 ALA  HN       4.810   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 394, 442, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   25 THR  HB      60 THR  HN       5.450   (#SUP   2.67 )
 &rst
  ixpk= 2, nxpk= 0, iat= 394, 943, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   25 THR  HN      25 THR  HA       3.940   (#SUP   2.87 )
 &rst
  ixpk= 2, nxpk= 0, iat= 390, 392, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   25 THR  HN      25 THR  HB       4.690   (#SUP   2.87 )
 &rst
  ixpk= 2, nxpk= 0, iat= 390, 394, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   25 THR  HN      25 THR  MG2      3.380   (#SUP   2.92 )
 &rst
  ixpk= 2, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 396, 397, 398,
 &end
#
#   25 THR  HN      28 ALA  HN       5.050   (#SUP   3.86 )
 &rst
  ixpk= 3, nxpk= 0, iat= 390, 442, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   25 THR  HN      28 ALA  MB       3.540   (#SUP   1.40 )
 &rst
  ixpk= 1, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 446, 447, 448,
 &end
#
#   25 THR  HN      61 ALA  MB       5.500   (#SUP   2.88 )
 &rst
  ixpk= 2, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 961, 962, 963,
 &end
#
#   25 THR  HN      62 LEU  HN       5.500   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat= 390, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   25 THR  MG2     26 VAL  HN       4.320   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 396, 397, 398,
 &end
#
#   25 THR  MG2     59 ASP- HN       5.330   (#SUP   1.56 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 396, 397, 398,
 &end
#
#   26 VAL  HA      27 LYS+ HN       4.870   (#SUP   7.32 )
 &rst
  ixpk= 7, nxpk= 0, iat= 406, 420, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   26 VAL  HA      28 ALA  HN       5.340   (#SUP   6.70 )
 &rst
  ixpk= 6, nxpk= 0, iat= 406, 442, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#   26 VAL  HA      29 LEU  HN       4.160   (#SUP   5.89 )
 &rst
  ixpk= 5, nxpk= 0, iat= 406, 452, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   26 VAL  HA      30 LYS+ HN       4.990   (#SUP   3.66 )
 &rst
  ixpk= 3, nxpk= 0, iat= 406, 471, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   26 VAL  HA      62 LEU  HN       5.500   (#SUP   2.60 )
 &rst
  ixpk= 2, nxpk= 0, iat= 406, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 VAL  HB      27 LYS+ HN       3.700   (#SUP   5.71 )
 &rst
  ixpk= 5, nxpk= 0, iat= 408, 420, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   26 VAL  HB      57 ASN  HN       5.500   (#SUP   1.40 )
 &rst
  ixpk= 1, nxpk= 0, iat= 408, 905, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 VAL  HB      60 THR  HN       4.670   (#SUP   2.48 )
 &rst
  ixpk= 2, nxpk= 0, iat= 408, 943, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   26 VAL  HN      26 VAL  HA       4.010   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 404, 406, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   26 VAL  HN      26 VAL  HB       3.410   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat= 404, 408, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   26 VAL  HN      27 LYS+ HN       3.935   (#SUP   8.37 )
 &rst
  ixpk= 8, nxpk= 0, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   26 VAL  HN      28 ALA  HN       5.290   (#SUP   3.73 )
 &rst
  ixpk= 3, nxpk= 0, iat= 404, 442, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   26 VAL  HN      58 ASP- HA       3.660   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 404, 921, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#   26 VAL  HN      60 THR  HB       5.500   (#SUP   1.70 )
 &rst
  ixpk= 1, nxpk= 0, iat= 404, 947, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 VAL  HN      60 THR  HN       5.040   (#SUP   6.98 )
 &rst
  ixpk= 6, nxpk= 0, iat= 404, 943, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   26 VAL  HN      61 ALA  HN       5.500   (#SUP   4.96 )
 &rst
  ixpk= 4, nxpk= 0, iat= 404, 957, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 VAL  HN      61 ALA  MB       5.170   (#SUP   4.17 )
 &rst
  ixpk= 4, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 961, 962, 963,
 &end
#
#   26 VAL  HN      62 LEU  HA       5.500   (#SUP   2.59 )
 &rst
  ixpk= 2, nxpk= 0, iat= 404, 969, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   26 VAL  HN      62 LEU  HN       4.850   (#SUP   5.22 )
 &rst
  ixpk= 5, nxpk= 0, iat= 404, 967, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   26 VAL  HN      65 TYR  QE       5.480   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1033,1038,
 &end
#
#   27 LYS+ HA      28 ALA  HN       4.540   (#SUP   4.98 )
 &rst
  ixpk= 4, nxpk= 0, iat= 422, 442, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   27 LYS+ HA      29 LEU  HN       5.500   (#SUP   3.91 )
 &rst
  ixpk= 3, nxpk= 0, iat= 422, 452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS+ HA      30 LYS+ HN       4.250   (#SUP   3.49 )
 &rst
  ixpk= 3, nxpk= 0, iat= 422, 471, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   27 LYS+ QG      28 ALA  HN       4.970   (#SUP   3.20 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 442, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 427, 428,
 &end
#
#   27 LYS+ HN      27 LYS+ HA       3.860   (#SUP   6.70 )
 &rst
  ixpk= 6, nxpk= 0, iat= 420, 422, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   27 LYS+ HN      27 LYS+ QG       4.800   (#SUP   5.37 )
 &rst
  ixpk= 5, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 427, 428,
 &end
#
#   27 LYS+ HN      27 LYS+ QB       3.060   (#SUP   3.87 )
 &rst
  ixpk= 3, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 424, 425,
 &end
#
#   27 LYS+ HN      27 LYS+ QD       4.520   (#SUP   4.55 )
 &rst
  ixpk= 4, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 430, 431,
 &end
#
#   27 LYS+ HN      28 ALA  HN       3.935   (#SUP   6.24 )
 &rst
  ixpk= 6, nxpk= 0, iat= 420, 442, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   27 LYS+ HN      29 LEU  HN       5.500   (#SUP   5.60 )
 &rst
  ixpk= 5, nxpk= 0, iat= 420, 452, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   27 LYS+ HN      30 LYS+ HN       5.020   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat= 420, 471, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   27 LYS+ HN      30 LYS+ QB       5.500   (#SUP   1.46 )
 &rst
  ixpk= 1, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 475, 476,
 &end
#
#   27 LYS+ HN      58 ASP- HA       3.620   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 420, 921, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   28 ALA  HA      29 LEU  HN       4.630   (#SUP   5.06 )
 &rst
  ixpk= 5, nxpk= 0, iat= 444, 452, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   28 ALA  HA      30 LYS+ HN       5.500   (#SUP   4.92 )
 &rst
  ixpk= 4, nxpk= 0, iat= 444, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 ALA  HA      31 GLU- HN       4.010   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat= 444, 493, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   28 ALA  HN      28 ALA  HA       3.650   (#SUP   3.42 )
 &rst
  ixpk= 3, nxpk= 0, iat= 442, 444, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   28 ALA  HN      28 ALA  MB       3.020   (#SUP   4.12 )
 &rst
  ixpk= 4, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2= 446, 447, 448,
 &end
#
#   28 ALA  HN      29 LEU  HA       5.500   (#SUP   5.57 )
 &rst
  ixpk= 5, nxpk= 0, iat= 442, 454, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 ALA  HN      29 LEU  QB       5.100   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 456, 457,
 &end
#
#   28 ALA  HN      29 LEU  HN       3.730   (#SUP   7.84 )
 &rst
  ixpk= 7, nxpk= 0, iat= 442, 452, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   28 ALA  HN      30 LYS+ HN       5.370   (#SUP   8.23 )
 &rst
  ixpk= 8, nxpk= 0, iat= 442, 471, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   28 ALA  HN      31 GLU- HN       5.500   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 442, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   28 ALA  HN      31 GLU- QG       5.500   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 500, 501,
 &end
#
#   28 ALA  MB      29 LEU  HN       3.520   (#SUP   4.57 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 446, 447, 448,
 &end
#
#   29 LEU  HA      30 LYS+ HN       4.760   (#SUP   6.55 )
 &rst
  ixpk= 6, nxpk= 0, iat= 454, 471, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   29 LEU  HA      31 GLU- HN       5.500   (#SUP   5.11 )
 &rst
  ixpk= 5, nxpk= 0, iat= 454, 493, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LEU  HA      32 LYS+ HN       4.070   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 454, 508, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   29 LEU  HA      33 ILE  HN       5.030   (#SUP   2.65 )
 &rst
  ixpk= 2, nxpk= 0, iat= 454, 530, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   29 LEU  QB      30 LYS+ HN       3.860   (#SUP   4.60 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 456, 457,
 &end
#
#   29 LEU  HN      29 LEU  HA       3.880   (#SUP   7.53 )
 &rst
  ixpk= 7, nxpk= 0, iat= 452, 454, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   29 LEU  HN      29 LEU  QB       4.080   (#SUP   5.43 )
 &rst
  ixpk= 5, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 456, 457,
 &end
#
#   29 LEU  HN      29 LEU  HG       3.430   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat= 452, 459, r1= 1.30, r2= 1.80, r3= 3.15, r4= 4.65,  &end
#
#   29 LEU  HN      30 LYS+ HN       3.735   (#SUP   7.53 )
 &rst
  ixpk= 7, nxpk= 0, iat= 452, 471, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   29 LEU  HN      30 LYS+ QB       4.500   (#SUP   3.22 )
 &rst
  ixpk= 3, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 475, 476,
 &end
#
#   29 LEU  HN      31 GLU- HN       5.375   (#SUP   4.71 )
 &rst
  ixpk= 4, nxpk= 0, iat= 452, 493, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   29 LEU  HN      32 LYS+ QB       5.240   (#SUP   1.11 )
 &rst
  ixpk= 1, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 512, 513,
 &end
#
#   30 LYS+ HA      32 LYS+ HN       5.280   (#SUP   4.98 )
 &rst
  ixpk= 4, nxpk= 0, iat= 473, 508, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   30 LYS+ HA      33 ILE  HN       4.580   (#SUP   3.94 )
 &rst
  ixpk= 3, nxpk= 0, iat= 473, 530, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   30 LYS+ HA      34 GLU- HN       5.010   (#SUP   1.33 )
 &rst
  ixpk= 1, nxpk= 0, iat= 473, 549, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#   30 LYS+ HN      30 LYS+ HA       4.140   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 471, 473, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   30 LYS+ HN      30 LYS+ QB       3.570   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 475, 476,
 &end
#
#   30 LYS+ HN      31 GLU- HN       4.030   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat= 471, 493, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   30 LYS+ HN      31 GLU- QG       4.610   (#SUP   2.07 )
 &rst
  ixpk= 2, nxpk= 0, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 500, 501,
 &end
#
#   30 LYS+ QD      31 GLU- HN       3.710   (#SUP   3.51 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 493, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 481, 482,
 &end
#
#   31 GLU- HA      32 LYS+ HN       4.310   (#SUP   5.82 )
 &rst
  ixpk= 5, nxpk= 0, iat= 495, 508, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   31 GLU- QB      32 LYS+ HN       3.550   (#SUP   3.67 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr1= 497, 498,
 &end
#
#   31 GLU- HN      31 GLU- HA       3.720   (#SUP   3.44 )
 &rst
  ixpk= 3, nxpk= 0, iat= 493, 495, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   31 GLU- HN      31 GLU- QG       3.470   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 493,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 500, 501,
 &end
#
#   31 GLU- HN      32 LYS+ HN       3.870   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat= 493, 508, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#   31 GLU- QG      32 LYS+ HN       4.710   (#SUP   4.66 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 508, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 500, 501,
 &end
#
#   32 LYS+ HA      33 ILE  HN       4.810   (#SUP   6.25 )
 &rst
  ixpk= 6, nxpk= 0, iat= 510, 530, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   32 LYS+ HA      34 GLU- HN       4.860   (#SUP   3.29 )
 &rst
  ixpk= 3, nxpk= 0, iat= 510, 549, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#   32 LYS+ HN      32 LYS+ HA       3.570   (#SUP   4.67 )
 &rst
  ixpk= 4, nxpk= 0, iat= 508, 510, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   32 LYS+ HN      32 LYS+ QB       2.990   (#SUP   5.23 )
 &rst
  ixpk= 5, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 512, 513,
 &end
#
#   32 LYS+ HN      32 LYS+ QD       4.060   (#SUP   5.24 )
 &rst
  ixpk= 5, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 518, 519,
 &end
#
#   32 LYS+ HN      32 LYS+ QE       5.500   (#SUP   4.19 )
 &rst
  ixpk= 4, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 521, 522,
 &end
#
#   32 LYS+ HN      32 LYS+ QG       4.220   (#SUP   6.10 )
 &rst
  ixpk= 6, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 515, 516,
 &end
#
#   32 LYS+ HN      33 ILE  HN       3.685   (#SUP   7.41 )
 &rst
  ixpk= 7, nxpk= 0, iat= 508, 530, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   32 LYS+ QB      33 ILE  HN       3.840   (#SUP   5.50 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 512, 513,
 &end
#
#   32 LYS+ QD      33 ILE  HN       4.640   (#SUP   6.25 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 518, 519,
 &end
#
#   32 LYS+ QD      34 GLU- HN       5.390   (#SUP   3.27 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 518, 519,
 &end
#
#   32 LYS+ QG      33 ILE  HN       4.550   (#SUP   7.24 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 530, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr1= 515, 516,
 &end
#
#   32 LYS+ QG      34 GLU- HN       5.210   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 515, 516,
 &end
#
#   32 LYS+ QG      35 SER  HN       5.500   (#SUP   1.82 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 515, 516,
 &end
#
#   33 ILE  HA      34 GLU- HN       4.710   (#SUP   6.20 )
 &rst
  ixpk= 6, nxpk= 0, iat= 532, 549, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   33 ILE  HA      35 SER  HN       5.500   (#SUP   3.85 )
 &rst
  ixpk= 3, nxpk= 0, iat= 532, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 ILE  HA      36 GLU- HN       4.500   (#SUP   2.63 )
 &rst
  ixpk= 2, nxpk= 0, iat= 532, 575, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   33 ILE  HA      37 LYS+ HN       5.030   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 532, 590, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   33 ILE  QG1     34 GLU- HN       4.700   (#SUP   5.18 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 540, 541,
 &end
#
#   33 ILE  HN      33 ILE  HA       4.010   (#SUP   7.45 )
 &rst
  ixpk= 7, nxpk= 0, iat= 530, 532, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   33 ILE  HN      33 ILE  HB       3.400   (#SUP   6.25 )
 &rst
  ixpk= 6, nxpk= 0, iat= 530, 534, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   33 ILE  HN      33 ILE  QG1      3.680   (#SUP   7.65 )
 &rst
  ixpk= 7, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 540, 541,
 &end
#
#   33 ILE  HN      33 ILE  QD1      4.050   (#SUP   7.05 )
 &rst
  ixpk= 7, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 543, 544, 545,
 &end
#
#   33 ILE  HN      33 ILE  MG2      3.660   (#SUP   4.83 )
 &rst
  ixpk= 4, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 536, 537, 538,
 &end
#
#   33 ILE  HN      34 GLU- HN       3.850   (#SUP   9.06 )
 &rst
  ixpk= 9, nxpk= 0, iat= 530, 549, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   33 ILE  HN      35 SER  HN       5.500   (#SUP   5.11 )
 &rst
  ixpk= 5, nxpk= 0, iat= 530, 564, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 ILE  HN      47 GLN  QE2      4.590   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 742, 743,
 &end
#
#   33 ILE  QD1     34 GLU- HN       4.350   (#SUP   6.33 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     35 SER  HN       5.500   (#SUP   4.64 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     36 GLU- HN       5.500   (#SUP   5.17 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     37 LYS+ HN       5.060   (#SUP   6.83 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     38 GLY  HN       5.500   (#SUP   5.35 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 543, 544, 545,
 &end
#
#   33 ILE  QD1     42 PHE  HN       5.310   (#SUP   5.87 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 543, 544, 545,
 &end
#
#   34 GLU- HA      35 SER  HN       4.210   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat= 551, 564, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   34 GLU- HA      36 GLU- HN       5.500   (#SUP   2.94 )
 &rst
  ixpk= 2, nxpk= 0, iat= 551, 575, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 GLU- HA      37 LYS+ HN       5.080   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 551, 590, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   34 GLU- HA      38 GLY  HN       4.520   (#SUP   4.80 )
 &rst
  ixpk= 4, nxpk= 0, iat= 551, 612, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   34 GLU- HA      42 PHE  HN       5.190   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 551, 663, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   34 GLU- QB      35 SER  HN       4.170   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 553, 554,
 &end
#
#   34 GLU- QB      39 LYS+ HN       5.060   (#SUP   2.58 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 553, 554,
 &end
#
#   34 GLU- QB      35 SER  HN       4.170   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 553, 554,
 &end
#
#   34 GLU- HN      34 GLU- HA       3.720   (#SUP   5.01 )
 &rst
  ixpk= 5, nxpk= 0, iat= 549, 551, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   34 GLU- HN      34 GLU- QB       3.600   (#SUP   3.21 )
 &rst
  ixpk= 3, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 553, 554,
 &end
#
#   34 GLU- HN      35 SER  QB       5.060   (#SUP   2.26 )
 &rst
  ixpk= 2, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2= 568, 569,
 &end
#
#   34 GLU- HN      47 GLN  QE2      4.160   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat= 549,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 742, 743,
 &end
#
#   34 GLU- QG      35 SER  HN       4.410   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 556, 557,
 &end
#
#   34 GLU- QG      38 GLY  HN       5.070   (#SUP   3.91 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 556, 557,
 &end
#
#   34 GLU- QG      39 LYS+ HN       4.960   (#SUP   1.96 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 556, 557,
 &end
#
#   34 GLU- QG      42 PHE  HN       5.410   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 556, 557,
 &end
#
#   35 SER  HA      38 GLY  HN       4.760   (#SUP   2.30 )
 &rst
  ixpk= 2, nxpk= 0, iat= 566, 612, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   35 SER  HN      35 SER  HA       3.360   (#SUP   2.11 )
 &rst
  ixpk= 2, nxpk= 0, iat= 564, 566, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   35 SER  HN      35 SER  QB       3.170   (#SUP   3.13 )
 &rst
  ixpk= 3, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 568, 569,
 &end
#
#   35 SER  HN      37 LYS+ HN       5.500   (#SUP   4.19 )
 &rst
  ixpk= 4, nxpk= 0, iat= 564, 590, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 SER  HN      38 GLY  HN       5.500   (#SUP   4.70 )
 &rst
  ixpk= 4, nxpk= 0, iat= 564, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 SER  QB      36 GLU- HN       3.580   (#SUP   4.16 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 575, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr1= 568, 569,
 &end
#
#   35 SER  QB      37 LYS+ HN       5.500   (#SUP   3.68 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 568, 569,
 &end
#
#   36 GLU- HA      37 LYS+ HN       4.330   (#SUP   5.21 )
 &rst
  ixpk= 5, nxpk= 0, iat= 577, 590, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   36 GLU- HN      36 GLU- HA       3.420   (#SUP   4.10 )
 &rst
  ixpk= 4, nxpk= 0, iat= 575, 577, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#   36 GLU- HN      36 GLU- QB       3.080   (#SUP   4.47 )
 &rst
  ixpk= 4, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 579, 580,
 &end
#
#   36 GLU- HN      36 GLU- QG       3.720   (#SUP   4.81 )
 &rst
  ixpk= 4, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 582, 583,
 &end
#
#   36 GLU- HN      37 LYS+ QB       5.240   (#SUP   5.07 )
 &rst
  ixpk= 5, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 594, 595,
 &end
#
#   36 GLU- HN      37 LYS+ QD       5.500   (#SUP   5.43 )
 &rst
  ixpk= 5, nxpk= 0, iat= 575,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 600, 601,
 &end
#
#   36 GLU- HN      37 LYS+ HN       3.645   (#SUP   9.14 )
 &rst
  ixpk= 9, nxpk= 0, iat= 575, 590, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   36 GLU- HN      38 GLY  HN       5.185   (#SUP   6.74 )
 &rst
  ixpk= 6, nxpk= 0, iat= 575, 612, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   36 GLU- QB      37 LYS+ HN       3.540   (#SUP   6.94 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 579, 580,
 &end
#
#   36 GLU- QB      38 GLY  HN       4.470   (#SUP   4.89 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 579, 580,
 &end
#
#   36 GLU- QG      37 LYS+ HN       4.940   (#SUP   5.77 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 582, 583,
 &end
#
#   37 LYS+ HA      38 GLY  HN       4.360   (#SUP   7.03 )
 &rst
  ixpk= 7, nxpk= 0, iat= 592, 612, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   37 LYS+ QB      38 GLY  HN       4.650   (#SUP   6.76 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 594, 595,
 &end
#
#   37 LYS+ QB      42 PHE  HN       5.500   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 594, 595,
 &end
#
#   37 LYS+ QB      38 GLY  HN       4.650   (#SUP   6.76 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 594, 595,
 &end
#
#   37 LYS+ QD      38 GLY  HN       5.350   (#SUP   7.36 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 600, 601,
 &end
#
#   37 LYS+ HN      37 LYS+ HA       3.970   (#SUP   7.63 )
 &rst
  ixpk= 7, nxpk= 0, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   37 LYS+ HN      37 LYS+ QB       4.040   (#SUP   7.32 )
 &rst
  ixpk= 7, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 594, 595,
 &end
#
#   37 LYS+ HN      37 LYS+ QD       4.490   (#SUP   8.12 )
 &rst
  ixpk= 8, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 600, 601,
 &end
#
#   37 LYS+ HN      37 LYS+ QG       4.250   (#SUP   8.64 )
 &rst
  ixpk= 8, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 597, 598,
 &end
#
#   37 LYS+ HN      38 GLY  QA       5.320   (#SUP   3.77 )
 &rst
  ixpk= 3, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 614, 615,
 &end
#
#   37 LYS+ HN      38 GLY  HN       3.270   (#SUP   9.74 )
 &rst
  ixpk= 9, nxpk= 0, iat= 590, 612, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   37 LYS+ HN      42 PHE  QD       5.070   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 671, 679,
 &end
#
#   37 LYS+ QG      38 GLY  HN       5.320   (#SUP   8.01 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 597, 598,
 &end
#
#   38 GLY  QA      39 LYS+ HN       3.500   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 614, 615,
 &end
#
#   38 GLY  QA      40 ASP- HN       4.370   (#SUP   4.19 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 614, 615,
 &end
#
#   38 GLY  QA      41 ALA  HN       4.980   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 614, 615,
 &end
#
#   38 GLY  HN      38 GLY  QA       3.460   (#SUP   4.80 )
 &rst
  ixpk= 4, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 614, 615,
 &end
#
#   38 GLY  HN      39 LYS+ HN       4.390   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat= 612, 619, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   38 GLY  HN      40 ASP- HN       5.500   (#SUP   3.55 )
 &rst
  ixpk= 3, nxpk= 0, iat= 612, 641, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 GLY  HN      41 ALA  MB       5.500   (#SUP   3.35 )
 &rst
  ixpk= 3, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 657, 658, 659,
 &end
#
#   38 GLY  HN      42 PHE  QB       5.500   (#SUP   1.47 )
 &rst
  ixpk= 1, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 667, 668,
 &end
#
#   38 GLY  HN      42 PHE  QD       5.500   (#SUP   8.62 )
 &rst
  ixpk= 8, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 671, 679,
 &end
#
#   39 LYS+ HA      40 ASP- HN       3.920   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 621, 641, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   39 LYS+ HA      41 ALA  HN       4.900   (#SUP   4.78 )
 &rst
  ixpk= 4, nxpk= 0, iat= 621, 653, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   39 LYS+ HA      42 PHE  HN       4.430   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat= 621, 663, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   39 LYS+ HA      44 VAL  HN       5.020   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 621, 697, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   39 LYS+ HN      39 LYS+ QB       3.440   (#SUP   5.02 )
 &rst
  ixpk= 5, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 623, 624,
 &end
#
#   39 LYS+ HN      39 LYS+ QD       4.300   (#SUP   3.42 )
 &rst
  ixpk= 3, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 629, 630,
 &end
#
#   39 LYS+ HN      39 LYS+ QE       5.500   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 632, 633,
 &end
#
#   39 LYS+ HN      39 LYS+ QG       3.840   (#SUP   4.57 )
 &rst
  ixpk= 4, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 626, 627,
 &end
#
#   39 LYS+ HN      40 ASP- HA       5.500   (#SUP   3.17 )
 &rst
  ixpk= 3, nxpk= 0, iat= 619, 643, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 LYS+ HN      40 ASP- QB       5.500   (#SUP   3.14 )
 &rst
  ixpk= 3, nxpk= 0, iat= 619,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 645, 646,
 &end
#
#   39 LYS+ HN      41 ALA  HN       5.500   (#SUP   4.84 )
 &rst
  ixpk= 4, nxpk= 0, iat= 619, 653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 LYS+ QB      40 ASP- HN       4.000   (#SUP   4.86 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 623, 624,
 &end
#
#   39 LYS+ QB      41 ALA  HN       5.500   (#SUP   4.78 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 623, 624,
 &end
#
#   39 LYS+ QB      42 PHE  HN       5.500   (#SUP   4.11 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 623, 624,
 &end
#
#   39 LYS+ QB      44 VAL  HN       5.500   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 623, 624,
 &end
#
#   39 LYS+ QD      42 PHE  HN       5.500   (#SUP   1.53 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 629, 630,
 &end
#
#   39 LYS+ QD      44 VAL  HN       5.060   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 629, 630,
 &end
#
#   39 LYS+ QE      40 ASP- HN       5.500   (#SUP   3.11 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 632, 633,
 &end
#
#   39 LYS+ QG      40 ASP- HN       4.270   (#SUP   4.31 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 626, 627,
 &end
#
#   40 ASP- HA      41 ALA  HN       4.500   (#SUP   5.08 )
 &rst
  ixpk= 5, nxpk= 0, iat= 643, 653, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 ASP- HA      42 PHE  HN       5.500   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 643, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   40 ASP- HN      40 ASP- HA       3.640   (#SUP   3.70 )
 &rst
  ixpk= 3, nxpk= 0, iat= 641, 643, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   40 ASP- HN      40 ASP- QB       3.170   (#SUP   3.70 )
 &rst
  ixpk= 3, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 645, 646,
 &end
#
#   40 ASP- HN      41 ALA  HN       3.505   (#SUP   6.55 )
 &rst
  ixpk= 6, nxpk= 0, iat= 641, 653, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   40 ASP- HN      41 ALA  MB       4.540   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 657, 658, 659,
 &end
#
#   40 ASP- HN      42 PHE  HN       5.035   (#SUP   5.20 )
 &rst
  ixpk= 5, nxpk= 0, iat= 641, 663, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   40 ASP- QB      41 ALA  HN       3.650   (#SUP   3.86 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 645, 646,
 &end
#
#   41 ALA  HA      42 PHE  HN       4.180   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat= 655, 663, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   41 ALA  HN      41 ALA  HA       3.810   (#SUP   4.11 )
 &rst
  ixpk= 4, nxpk= 0, iat= 653, 655, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   41 ALA  HN      41 ALA  MB       3.290   (#SUP   5.79 )
 &rst
  ixpk= 5, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 657, 658, 659,
 &end
#
#   41 ALA  HN      42 PHE  HN       3.405   (#SUP   6.66 )
 &rst
  ixpk= 6, nxpk= 0, iat= 653, 663, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   41 ALA  HN      42 PHE  QD       4.950   (#SUP   5.93 )
 &rst
  ixpk= 5, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 671, 679,
 &end
#
#   41 ALA  HN      43 PRO  QD       4.730   (#SUP   1.04 )
 &rst
  ixpk= 1, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 684, 685,
 &end
#
#   41 ALA  MB      42 PHE  HN       3.550   (#SUP   7.13 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 657, 658, 659,
 &end
#
#   42 PHE  HN      42 PHE  HA       3.840   (#SUP   6.73 )
 &rst
  ixpk= 6, nxpk= 0, iat= 663, 665, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#   42 PHE  HN      42 PHE  QB       4.020   (#SUP   5.80 )
 &rst
  ixpk= 5, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 667, 668,
 &end
#
#   42 PHE  HN      42 PHE  QD       3.950   (#SUP   8.37 )
 &rst
  ixpk= 8, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 671, 679,
 &end
#
#   42 PHE  HN      42 PHE  QE       5.500   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 673, 677,
 &end
#
#   42 PHE  HN      43 PRO  HA       5.500   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat= 663, 693, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   42 PHE  HN      43 PRO  QB       5.480   (#SUP   3.24 )
 &rst
  ixpk= 3, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 690, 691,
 &end
#
#   42 PHE  HN      43 PRO  QG       5.230   (#SUP   3.31 )
 &rst
  ixpk= 3, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 687, 688,
 &end
#
#   43 PRO  HA      44 VAL  HN       3.250   (#SUP   5.32 )
 &rst
  ixpk= 5, nxpk= 0, iat= 693, 697, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#   43 PRO  HA      45 ALA  HN       5.000   (#SUP   3.82 )
 &rst
  ixpk= 3, nxpk= 0, iat= 693, 713, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 PRO  QB      46 GLY  HN       4.870   (#SUP   5.30 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 690, 691,
 &end
#
#   43 PRO  QB      44 VAL  HN       4.360   (#SUP   3.26 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 697, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 690, 691,
 &end
#
#   43 PRO  QB      45 ALA  HN       4.720   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 690, 691,
 &end
#
#   43 PRO  QB      46 GLY  HN       4.870   (#SUP   5.30 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 690, 691,
 &end
#
#   43 PRO  QD      46 GLY  HN       5.240   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 684, 685,
 &end
#
#   43 PRO  QG      46 GLY  HN       3.590   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 687, 688,
 &end
#
#   44 VAL  HA      45 ALA  HN       4.520   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat= 699, 713, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   44 VAL  HA      46 GLY  HN       5.500   (#SUP   7.88 )
 &rst
  ixpk= 7, nxpk= 0, iat= 699, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 VAL  HA      47 GLN  HN       4.630   (#SUP   5.63 )
 &rst
  ixpk= 5, nxpk= 0, iat= 699, 730, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   44 VAL  HB      45 ALA  HN       3.280   (#SUP   4.72 )
 &rst
  ixpk= 4, nxpk= 0, iat= 701, 713, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   44 VAL  HN      44 VAL  HA       3.950   (#SUP   4.76 )
 &rst
  ixpk= 4, nxpk= 0, iat= 697, 699, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   44 VAL  HN      44 VAL  HB       3.290   (#SUP   4.37 )
 &rst
  ixpk= 4, nxpk= 0, iat= 697, 701, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   44 VAL  HN      45 ALA  HN       4.295   (#SUP   7.97 )
 &rst
  ixpk= 7, nxpk= 0, iat= 697, 713, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   44 VAL  HN      45 ALA  MB       4.690   (#SUP   3.04 )
 &rst
  ixpk= 3, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 717, 718, 719,
 &end
#
#   44 VAL  HN      46 GLY  HN       5.500   (#SUP   7.72 )
 &rst
  ixpk= 7, nxpk= 0, iat= 697, 723, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 VAL  HN      47 GLN  QG       5.500   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 737, 738,
 &end
#
#   44 VAL  HN      47 GLN  QE2      4.870   (#SUP   0.99 )
 &rst
  ixpk= 0, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr2= 742, 743,
 &end
#
#   45 ALA  HA      46 GLY  HN       4.390   (#SUP   5.14 )
 &rst
  ixpk= 5, nxpk= 0, iat= 715, 723, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   45 ALA  HA      47 GLN  HN       4.960   (#SUP   4.46 )
 &rst
  ixpk= 4, nxpk= 0, iat= 715, 730, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   45 ALA  HN      45 ALA  HA       3.550   (#SUP   4.50 )
 &rst
  ixpk= 4, nxpk= 0, iat= 713, 715, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   45 ALA  HN      45 ALA  MB       3.000   (#SUP   4.34 )
 &rst
  ixpk= 4, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr2= 717, 718, 719,
 &end
#
#   45 ALA  HN      46 GLY  QA       5.500   (#SUP   3.02 )
 &rst
  ixpk= 3, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 725, 726,
 &end
#
#   45 ALA  HN      46 GLY  HN       3.880   (#SUP   7.22 )
 &rst
  ixpk= 7, nxpk= 0, iat= 713, 723, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   45 ALA  HN      47 GLN  HN       5.210   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat= 713, 730, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   45 ALA  MB      46 GLY  HN       3.960   (#SUP   4.85 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 717, 718, 719,
 &end
#
#   45 ALA  MB      47 GLN  HN       4.610   (#SUP   3.88 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 717, 718, 719,
 &end
#
#   46 GLY  QA      47 GLN  HN       4.180   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 725, 726,
 &end
#
#   46 GLY  QA      78 THR  HN       4.290   (#SUP   2.61 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 725, 726,
 &end
#
#   46 GLY  QA      47 GLN  HN       4.180   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 725, 726,
 &end
#
#   46 GLY  HN      46 GLY  QA       3.690   (#SUP   3.88 )
 &rst
  ixpk= 3, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 725, 726,
 &end
#
#   46 GLY  HN      47 GLN  HA       5.500   (#SUP   4.52 )
 &rst
  ixpk= 4, nxpk= 0, iat= 723, 732, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   46 GLY  HN      47 GLN  QB       4.950   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 734, 735,
 &end
#
#   46 GLY  HN      47 GLN  QG       5.050   (#SUP   3.49 )
 &rst
  ixpk= 3, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 737, 738,
 &end
#
#   46 GLY  HN      47 GLN  HN       3.435   (#SUP   8.38 )
 &rst
  ixpk= 8, nxpk= 0, iat= 723, 730, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#   47 GLN  HA      48 LYS+ HN       3.080   (#SUP   5.68 )
 &rst
  ixpk= 5, nxpk= 0, iat= 732, 747, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#   47 GLN  HA      78 THR  HN       4.880   (#SUP   3.40 )
 &rst
  ixpk= 3, nxpk= 0, iat= 732,1249, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   47 GLN  QB      48 LYS+ HN       4.220   (#SUP   4.72 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 734, 735,
 &end
#
#   47 GLN  QB      78 THR  HN       5.480   (#SUP   1.16 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 734, 735,
 &end
#
#   47 GLN  QG      48 LYS+ HN       4.740   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 737, 738,
 &end
#
#   47 GLN  HN      47 GLN  HA       3.960   (#SUP   6.95 )
 &rst
  ixpk= 6, nxpk= 0, iat= 730, 732, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   47 GLN  HN      47 GLN  QB       3.820   (#SUP   5.09 )
 &rst
  ixpk= 5, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 734, 735,
 &end
#
#   47 GLN  HN      47 GLN  QG       3.740   (#SUP   5.69 )
 &rst
  ixpk= 5, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 737, 738,
 &end
#
#   47 GLN  HN      47 GLN  QE2      5.170   (#SUP   3.12 )
 &rst
  ixpk= 3, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 742, 743,
 &end
#
#   47 GLN  HN      48 LYS+ HN       4.955   (#SUP   5.83 )
 &rst
  ixpk= 5, nxpk= 0, iat= 730, 747, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   47 GLN  HN      77 VAL  HA       5.500   (#SUP   4.01 )
 &rst
  ixpk= 4, nxpk= 0, iat= 730,1235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LYS+ HA      49 LEU  HN       3.020   (#SUP   2.67 )
 &rst
  ixpk= 2, nxpk= 0, iat= 749, 769, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#   48 LYS+ HA      76 MET  HN       5.180   (#SUP   2.55 )
 &rst
  ixpk= 2, nxpk= 0, iat= 749,1216, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   48 LYS+ HN      48 LYS+ HA       4.010   (#SUP   6.14 )
 &rst
  ixpk= 6, nxpk= 0, iat= 747, 749, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   48 LYS+ HN      48 LYS+ QB       3.340   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 751, 752,
 &end
#
#   48 LYS+ HN      48 LYS+ QD       4.670   (#SUP   4.82 )
 &rst
  ixpk= 4, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 757, 758,
 &end
#
#   48 LYS+ HN      48 LYS+ QG       4.950   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 754, 755,
 &end
#
#   48 LYS+ HN      49 LEU  HA       5.500   (#SUP   3.96 )
 &rst
  ixpk= 3, nxpk= 0, iat= 747, 771, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LYS+ HN      49 LEU  HN       4.700   (#SUP   3.58 )
 &rst
  ixpk= 3, nxpk= 0, iat= 747, 769, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   48 LYS+ HN      75 VAL  HA       5.360   (#SUP   3.60 )
 &rst
  ixpk= 3, nxpk= 0, iat= 747,1202, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   48 LYS+ HN      76 MET  QB       5.450   (#SUP   2.11 )
 &rst
  ixpk= 2, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1220,1221,
 &end
#
#   48 LYS+ HN      77 VAL  HA       4.410   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat= 747,1235, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   48 LYS+ QB      76 MET  HN       4.210   (#SUP   3.38 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 751, 752,
 &end
#
#   48 LYS+ QG      76 MET  HN       4.890   (#SUP   1.70 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 754, 755,
 &end
#
#   49 LEU  HA      50 ILE  HN       3.130   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat= 771, 788, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#   49 LEU  HA      74 VAL  HN       5.290   (#SUP   2.76 )
 &rst
  ixpk= 2, nxpk= 0, iat= 771,1184, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   49 LEU  HA      76 MET  HN       4.240   (#SUP   4.39 )
 &rst
  ixpk= 4, nxpk= 0, iat= 771,1216, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   49 LEU  HG      50 ILE  HN       3.710   (#SUP   4.09 )
 &rst
  ixpk= 4, nxpk= 0, iat= 776, 788, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   49 LEU  HN      49 LEU  HA       4.090   (#SUP   5.16 )
 &rst
  ixpk= 5, nxpk= 0, iat= 769, 771, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   49 LEU  HN      49 LEU  HG       4.140   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   49 LEU  HN      49 LEU  QB       3.150   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2= 773, 774,
 &end
#
#   49 LEU  HN      50 ILE  HN       5.240   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat= 769, 788, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   49 LEU  HN      75 VAL  HA       5.500   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat= 769,1202, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 LEU  HN      76 MET  HN       4.470   (#SUP   3.13 )
 &rst
  ixpk= 3, nxpk= 0, iat= 769,1216, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   49 LEU  QB      50 ILE  HN       4.590   (#SUP   4.09 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 788, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 773, 774,
 &end
#
#   50 ILE  HA      51 TYR  HN       3.060   (#SUP   6.32 )
 &rst
  ixpk= 6, nxpk= 0, iat= 790, 807, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   50 ILE  HA      54 LYS+ HN       4.440   (#SUP   4.96 )
 &rst
  ixpk= 4, nxpk= 0, iat= 790, 845, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   50 ILE  HA      55 ILE  HN       5.500   (#SUP   5.14 )
 &rst
  ixpk= 5, nxpk= 0, iat= 790, 867, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 ILE  HA      56 LEU  HN       4.110   (#SUP   5.91 )
 &rst
  ixpk= 5, nxpk= 0, iat= 790, 886, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   50 ILE  HB      51 TYR  HN       4.800   (#SUP   5.86 )
 &rst
  ixpk= 5, nxpk= 0, iat= 792, 807, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   50 ILE  HB      53 GLY  HN       5.500   (#SUP   2.72 )
 &rst
  ixpk= 2, nxpk= 0, iat= 792, 838, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 ILE  HB      74 VAL  HN       4.200   (#SUP   1.55 )
 &rst
  ixpk= 1, nxpk= 0, iat= 792,1184, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   50 ILE  QG1     51 TYR  HN       5.200   (#SUP   5.99 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 798, 799,
 &end
#
#   50 ILE  HN      50 ILE  HA       4.260   (#SUP   5.01 )
 &rst
  ixpk= 5, nxpk= 0, iat= 788, 790, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   50 ILE  HN      50 ILE  HB       3.680   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat= 788, 792, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   50 ILE  HN      50 ILE  QG1      3.940   (#SUP   4.30 )
 &rst
  ixpk= 4, nxpk= 0, iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 798, 799,
 &end
#
#   50 ILE  HN      74 VAL  HB       4.270   (#SUP   1.49 )
 &rst
  ixpk= 1, nxpk= 0, iat= 788,1188, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   50 ILE  HN      75 VAL  HA       5.180   (#SUP   3.81 )
 &rst
  ixpk= 3, nxpk= 0, iat= 788,1202, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   50 ILE  HN      75 VAL  HN       5.020   (#SUP   1.98 )
 &rst
  ixpk= 1, nxpk= 0, iat= 788,1200, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   50 ILE  QD1     51 TYR  HN       3.610   (#SUP   5.29 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  QD1     52 ALA  HN       5.240   (#SUP   4.18 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  QD1     53 GLY  HN       3.600   (#SUP   6.39 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  QD1     54 LYS+ HN       3.730   (#SUP   7.36 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  QD1     55 ILE  HN       4.990   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  QD1     56 LEU  HN       5.250   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 801, 802, 803,
 &end
#
#   50 ILE  MG2     51 TYR  HN       4.550   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 794, 795, 796,
 &end
#
#   50 ILE  MG2     52 ALA  HN       5.490   (#SUP   3.19 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 794, 795, 796,
 &end
#
#   50 ILE  MG2     53 GLY  HN       5.500   (#SUP   4.93 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 794, 795, 796,
 &end
#
#   50 ILE  MG2     54 LYS+ HN       5.500   (#SUP   4.17 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 794, 795, 796,
 &end
#
#   51 TYR  HA      52 ALA  HN       3.380   (#SUP   6.55 )
 &rst
  ixpk= 6, nxpk= 0, iat= 809, 828, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#   51 TYR  HA      53 GLY  HN       4.770   (#SUP   4.15 )
 &rst
  ixpk= 4, nxpk= 0, iat= 809, 838, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   51 TYR  HA      74 VAL  HN       4.640   (#SUP   4.56 )
 &rst
  ixpk= 4, nxpk= 0, iat= 809,1184, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   51 TYR  QB      52 ALA  HN       5.500   (#SUP   5.53 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 811, 812,
 &end
#
#   51 TYR  QB      74 VAL  HN       5.500   (#SUP   3.48 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 811, 812,
 &end
#
#   51 TYR  QB      52 ALA  HN       5.500   (#SUP   5.53 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 811, 812,
 &end
#
#   51 TYR  QB      54 LYS+ HN       5.500   (#SUP   3.43 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 811, 812,
 &end
#
#   51 TYR  HN      51 TYR  HA       4.530   (#SUP   5.47 )
 &rst
  ixpk= 5, nxpk= 0, iat= 807, 809, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   51 TYR  HN      51 TYR  QB       4.030   (#SUP   5.45 )
 &rst
  ixpk= 5, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2= 811, 812,
 &end
#
#   51 TYR  HN      51 TYR  QD       4.770   (#SUP   6.03 )
 &rst
  ixpk= 6, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 815, 824,
 &end
#
#   51 TYR  HN      53 GLY  HN       5.430   (#SUP   8.91 )
 &rst
  ixpk= 8, nxpk= 0, iat= 807, 838, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   51 TYR  HN      54 LYS+ HN       3.970   (#SUP   9.25 )
 &rst
  ixpk= 9, nxpk= 0, iat= 807, 845, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   51 TYR  HN      54 LYS+ QB       4.480   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 849, 850,
 &end
#
#   51 TYR  HN      54 LYS+ QG       5.290   (#SUP   2.78 )
 &rst
  ixpk= 2, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 852, 853,
 &end
#
#   51 TYR  HN      55 ILE  HA       4.460   (#SUP   5.70 )
 &rst
  ixpk= 5, nxpk= 0, iat= 807, 869, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   51 TYR  HN      56 LEU  HN       5.155   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat= 807, 886, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   51 TYR  QD      52 ALA  HN       4.410   (#SUP   7.23 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 815, 824,
 &end
#
#   51 TYR  QD      53 GLY  HN       5.500   (#SUP   6.49 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 815, 824,
 &end
#
#   51 TYR  QD      54 LYS+ HN       5.500   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 815, 824,
 &end
#
#   51 TYR  QD      68 ASP- HN       5.500   (#SUP   2.96 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 815, 824,
 &end
#
#   51 TYR  QD      73 VAL  HN       5.500   (#SUP   2.06 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 815, 824,
 &end
#
#   51 TYR  QD      74 VAL  HN       4.830   (#SUP   5.85 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 815, 824,
 &end
#
#   51 TYR  QE      52 ALA  HN       5.500   (#SUP   5.90 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 828, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      66 LYS+ HN       5.500   (#SUP   2.92 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      67 ILE  HN       5.500   (#SUP   4.72 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      68 ASP- HN       4.310   (#SUP   6.43 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      71 ASN  HN       5.260   (#SUP   2.49 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 817, 822,
 &end
#
#   51 TYR  QE      72 PHE  HN       4.260   (#SUP   3.45 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 817, 822,
 &end
#
#   52 ALA  HA      53 GLY  HN       3.570   (#SUP   4.70 )
 &rst
  ixpk= 4, nxpk= 0, iat= 830, 838, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   52 ALA  HA      54 LYS+ HN       5.190   (#SUP   4.26 )
 &rst
  ixpk= 4, nxpk= 0, iat= 830, 845, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   52 ALA  HN      52 ALA  HA       3.350   (#SUP   3.77 )
 &rst
  ixpk= 3, nxpk= 0, iat= 828, 830, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   52 ALA  HN      52 ALA  MB       3.800   (#SUP   5.23 )
 &rst
  ixpk= 5, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 832, 833, 834,
 &end
#
#   52 ALA  HN      53 GLY  QA       5.500   (#SUP   3.02 )
 &rst
  ixpk= 3, nxpk= 0, iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 840, 841,
 &end
#
#   52 ALA  HN      53 GLY  HN       4.140   (#SUP   6.70 )
 &rst
  ixpk= 6, nxpk= 0, iat= 828, 838, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   52 ALA  HN      54 LYS+ HN       5.500   (#SUP   6.26 )
 &rst
  ixpk= 6, nxpk= 0, iat= 828, 845, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ALA  HN      73 VAL  HA       5.500   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 828,1170, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 ALA  MB      53 GLY  HN       4.150   (#SUP   5.35 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 838, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 832, 833, 834,
 &end
#
#   52 ALA  MB      54 LYS+ HN       4.320   (#SUP   4.83 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 832, 833, 834,
 &end
#
#   52 ALA  MB      71 ASN  QD2      5.500   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 832, 833, 834,
 igr2=1143,1144,
 &end
#
#   53 GLY  QA      54 LYS+ HN       4.250   (#SUP   3.89 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 840, 841,
 &end
#
#   53 GLY  HN      53 GLY  QA       3.510   (#SUP   3.61 )
 &rst
  ixpk= 3, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2= 840, 841,
 &end
#
#   53 GLY  HN      54 LYS+ HN       4.135   (#SUP   7.50 )
 &rst
  ixpk= 7, nxpk= 0, iat= 838, 845, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   53 GLY  HN      54 LYS+ QB       5.110   (#SUP   2.85 )
 &rst
  ixpk= 2, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 849, 850,
 &end
#
#   53 GLY  HN      54 LYS+ QG       5.500   (#SUP   3.51 )
 &rst
  ixpk= 3, nxpk= 0, iat= 838,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 852, 853,
 &end
#
#   54 LYS+ HA      55 ILE  HN       2.970   (#SUP   3.68 )
 &rst
  ixpk= 3, nxpk= 0, iat= 847, 867, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,  &end
#
#   54 LYS+ HN      54 LYS+ HA       3.630   (#SUP   4.68 )
 &rst
  ixpk= 4, nxpk= 0, iat= 845, 847, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#   54 LYS+ HN      54 LYS+ QE       5.500   (#SUP   2.67 )
 &rst
  ixpk= 2, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 858, 859,
 &end
#
#   54 LYS+ HN      54 LYS+ QG       3.710   (#SUP   4.04 )
 &rst
  ixpk= 4, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 852, 853,
 &end
#
#   54 LYS+ HN      55 ILE  HN       5.060   (#SUP   4.56 )
 &rst
  ixpk= 4, nxpk= 0, iat= 845, 867, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   54 LYS+ QB      55 ILE  HN       3.670   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 867, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 849, 850,
 &end
#
#   55 ILE  HA      56 LEU  HN       3.170   (#SUP   6.02 )
 &rst
  ixpk= 6, nxpk= 0, iat= 869, 886, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#   55 ILE  HB      56 LEU  HN       4.980   (#SUP   4.94 )
 &rst
  ixpk= 4, nxpk= 0, iat= 871, 886, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   55 ILE  HN      55 ILE  HA       4.100   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat= 867, 869, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   55 ILE  HN      55 ILE  HB       3.030   (#SUP   3.99 )
 &rst
  ixpk= 3, nxpk= 0, iat= 867, 871, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#   55 ILE  HN      55 ILE  QG1      3.670   (#SUP   3.99 )
 &rst
  ixpk= 3, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 877, 878,
 &end
#
#   55 ILE  HN      56 LEU  HN       5.135   (#SUP   5.50 )
 &rst
  ixpk= 5, nxpk= 0, iat= 867, 886, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#   55 ILE  QG1     56 LEU  HN       5.130   (#SUP   4.94 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 877, 878,
 &end
#
#   55 ILE  MG2     56 LEU  HN       3.490   (#SUP   7.26 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 873, 874, 875,
 &end
#
#   55 ILE  MG2     57 ASN  HN       5.500   (#SUP   3.89 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 873, 874, 875,
 &end
#
#   56 LEU  HA      57 ASN  HN       3.130   (#SUP   5.75 )
 &rst
  ixpk= 5, nxpk= 0, iat= 888, 905, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#   56 LEU  HN      56 LEU  HA       4.100   (#SUP   7.12 )
 &rst
  ixpk= 7, nxpk= 0, iat= 886, 888, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   56 LEU  HN      56 LEU  HG       4.320   (#SUP   4.60 )
 &rst
  ixpk= 4, nxpk= 0, iat= 886, 893, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   56 LEU  HN      56 LEU  QB       3.660   (#SUP   6.35 )
 &rst
  ixpk= 6, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 890, 891,
 &end
#
#   56 LEU  HN      57 ASN  HN       5.245   (#SUP   6.11 )
 &rst
  ixpk= 6, nxpk= 0, iat= 886, 905, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   56 LEU  HN      65 TYR  QE       5.500   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1033,1038,
 &end
#
#   56 LEU  QB      57 ASN  HN       4.400   (#SUP   5.12 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 890, 891,
 &end
#
#   57 ASN  HA      58 ASP- HN       3.000   (#SUP   4.23 )
 &rst
  ixpk= 4, nxpk= 0, iat= 907, 919, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 ASN  HA      59 ASP- HN       4.790   (#SUP   3.74 )
 &rst
  ixpk= 3, nxpk= 0, iat= 907, 931, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   57 ASN  QB      57 ASN  QD2      5.060   (#SUP   3.56 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1= 909, 910,
 igr2= 914, 915,
 &end
#
#   57 ASN  QB      58 ASP- HN       4.620   (#SUP   5.20 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 909, 910,
 &end
#
#   57 ASN  QB      60 THR  HN       5.200   (#SUP   3.13 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 909, 910,
 &end
#
#   57 ASN  QB      57 ASN  QD2      5.340   (#SUP   3.25 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 909, 910,
 igr2= 914, 915,
 &end
#
#   57 ASN  QB      58 ASP- HN       4.620   (#SUP   5.20 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 909, 910,
 &end
#
#   57 ASN  QB      59 ASP- HN       5.120   (#SUP   6.44 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 909, 910,
 &end
#
#   57 ASN  QB      60 THR  HN       5.200   (#SUP   3.13 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 909, 910,
 &end
#
#   57 ASN  QD2     58 ASP- HN       5.500   (#SUP   3.39 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 914, 915,
 &end
#
#   57 ASN  QD2     59 ASP- QB       5.300   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1= 914, 915,
 igr2= 935, 936,
 &end
#
#   57 ASN  QD2     59 ASP- HN       5.480   (#SUP   3.32 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 914, 915,
 &end
#
#   57 ASN  HN      57 ASN  HA       3.510   (#SUP   4.11 )
 &rst
  ixpk= 4, nxpk= 0, iat= 905, 907, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   57 ASN  HN      57 ASN  QB       3.570   (#SUP   4.95 )
 &rst
  ixpk= 4, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 909, 910,
 &end
#
#   57 ASN  HN      58 ASP- HA       5.500   (#SUP   1.22 )
 &rst
  ixpk= 1, nxpk= 0, iat= 905, 921, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 ASN  HN      60 THR  HB       4.700   (#SUP   1.50 )
 &rst
  ixpk= 1, nxpk= 0, iat= 905, 947, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   57 ASN  HN      65 TYR  QD       5.500   (#SUP   4.18 )
 &rst
  ixpk= 4, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1031,1040,
 &end
#
#   57 ASN  HN      65 TYR  QE       4.170   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1033,1038,
 &end
#
#   58 ASP- HA      59 ASP- HN       4.240   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat= 921, 931, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   58 ASP- HN      58 ASP- HA       3.740   (#SUP   3.42 )
 &rst
  ixpk= 3, nxpk= 0, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   58 ASP- HN      58 ASP- QB       3.190   (#SUP   3.02 )
 &rst
  ixpk= 3, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,
 igr2= 923, 924,
 &end
#
#   58 ASP- HN      59 ASP- HN       4.130   (#SUP   4.97 )
 &rst
  ixpk= 4, nxpk= 0, iat= 919, 931, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   58 ASP- QB      59 ASP- HN       3.450   (#SUP   4.80 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1= 923, 924,
 &end
#
#   58 ASP- QB      60 THR  HN       5.080   (#SUP   2.61 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 923, 924,
 &end
#
#   59 ASP- HA      60 THR  HN       3.940   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat= 933, 943, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   59 ASP- QB      60 THR  HN       5.020   (#SUP   4.10 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 935, 936,
 &end
#
#   59 ASP- HN      59 ASP- HA       3.710   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 931, 933, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   59 ASP- HN      59 ASP- QB       3.720   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat= 931,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 935, 936,
 &end
#
#   59 ASP- HN      60 THR  HB       4.740   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat= 931, 947, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   59 ASP- HN      60 THR  HN       3.485   (#SUP   5.86 )
 &rst
  ixpk= 5, nxpk= 0, iat= 931, 943, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   60 THR  HA      61 ALA  HN       2.870   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 945, 957, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#   60 THR  HB      61 ALA  HN       4.700   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat= 947, 957, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   60 THR  HN      60 THR  HA       3.580   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat= 943, 945, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   60 THR  HN      60 THR  HB       3.180   (#SUP   4.85 )
 &rst
  ixpk= 4, nxpk= 0, iat= 943, 947, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#   60 THR  HN      60 THR  MG2      3.580   (#SUP   4.51 )
 &rst
  ixpk= 4, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 949, 950, 951,
 &end
#
#   60 THR  HN      61 ALA  HN       4.900   (#SUP   3.62 )
 &rst
  ixpk= 3, nxpk= 0, iat= 943, 957, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 THR  HN      65 TYR  QE       4.670   (#SUP   3.00 )
 &rst
  ixpk= 3, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1033,1038,
 &end
#
#   60 THR  MG2     61 ALA  HN       3.300   (#SUP   3.35 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 949, 950, 951,
 &end
#
#   60 THR  MG2     65 TYR  HN       4.540   (#SUP   2.25 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 949, 950, 951,
 &end
#
#   61 ALA  HA      62 LEU  HN       3.150   (#SUP   3.30 )
 &rst
  ixpk= 3, nxpk= 0, iat= 959, 967, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#   61 ALA  HA      64 GLU- HN       5.500   (#SUP   2.72 )
 &rst
  ixpk= 2, nxpk= 0, iat= 959,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ALA  HN      61 ALA  HA       4.280   (#SUP   3.15 )
 &rst
  ixpk= 3, nxpk= 0, iat= 957, 959, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   61 ALA  HN      61 ALA  MB       3.080   (#SUP   3.15 )
 &rst
  ixpk= 3, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2= 961, 962, 963,
 &end
#
#   61 ALA  HN      62 LEU  HN       5.500   (#SUP   3.80 )
 &rst
  ixpk= 3, nxpk= 0, iat= 957, 967, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ALA  HN      63 LYS+ QE       5.500   (#SUP   2.31 )
 &rst
  ixpk= 2, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 999,1000,
 &end
#
#   61 ALA  HN      64 GLU- QB       5.060   (#SUP   2.70 )
 &rst
  ixpk= 2, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr2=1012,1013,
 &end
#
#   61 ALA  HN      64 GLU- QG       5.450   (#SUP   3.24 )
 &rst
  ixpk= 3, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1015,1016,
 &end
#
#   61 ALA  HN      64 GLU- HN       5.500   (#SUP   8.41 )
 &rst
  ixpk= 8, nxpk= 0, iat= 957,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 ALA  HN      65 TYR  QE       5.500   (#SUP   6.68 )
 &rst
  ixpk= 6, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1033,1038,
 &end
#
#   61 ALA  MB      62 LEU  HN       3.720   (#SUP   4.50 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 961, 962, 963,
 &end
#
#   61 ALA  MB      63 LYS+ HN       3.760   (#SUP   2.95 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 961, 962, 963,
 &end
#
#   61 ALA  MB      64 GLU- HN       4.260   (#SUP   4.34 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 961, 962, 963,
 &end
#
#   62 LEU  HA      63 LYS+ HN       4.420   (#SUP   7.40 )
 &rst
  ixpk= 7, nxpk= 0, iat= 969, 986, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   62 LEU  HA      64 GLU- HN       4.560   (#SUP   9.57 )
 &rst
  ixpk= 9, nxpk= 0, iat= 969,1008, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   62 LEU  HA      65 TYR  HN       5.050   (#SUP   7.82 )
 &rst
  ixpk= 7, nxpk= 0, iat= 969,1023, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#   62 LEU  HN      62 LEU  HA       3.920   (#SUP   6.30 )
 &rst
  ixpk= 6, nxpk= 0, iat= 967, 969, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   62 LEU  HN      62 LEU  HG       3.440   (#SUP   5.13 )
 &rst
  ixpk= 5, nxpk= 0, iat= 967, 974, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   62 LEU  HN      62 LEU  QB       3.550   (#SUP   5.88 )
 &rst
  ixpk= 5, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 971, 972,
 &end
#
#   62 LEU  HN      63 LYS+ HN       3.975   (#SUP   8.30 )
 &rst
  ixpk= 8, nxpk= 0, iat= 967, 986, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   62 LEU  HN      64 GLU- HN       5.500   (#SUP   8.26 )
 &rst
  ixpk= 8, nxpk= 0, iat= 967,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LEU  HN      65 TYR  QD       5.500   (#SUP   3.49 )
 &rst
  ixpk= 3, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1031,1040,
 &end
#
#   62 LEU  QB      63 LYS+ HN       3.620   (#SUP   5.20 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1= 971, 972,
 &end
#
#   63 LYS+ HA      64 GLU- HN       4.390   (#SUP   7.38 )
 &rst
  ixpk= 7, nxpk= 0, iat= 988,1008, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   63 LYS+ HA      65 TYR  HN       4.890   (#SUP   6.45 )
 &rst
  ixpk= 6, nxpk= 0, iat= 988,1023, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   63 LYS+ HA      66 LYS+ HN       4.650   (#SUP   4.17 )
 &rst
  ixpk= 4, nxpk= 0, iat= 988,1044, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   63 LYS+ QB      64 GLU- HN       4.740   (#SUP   7.29 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 990, 991,
 &end
#
#   63 LYS+ QB      65 TYR  HN       5.450   (#SUP   5.11 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 990, 991,
 &end
#
#   63 LYS+ QB      67 ILE  HN       4.990   (#SUP   0.75 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 990, 991,
 &end
#
#   63 LYS+ QG      64 GLU- HN       3.980   (#SUP   6.31 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 993, 994,
 &end
#
#   63 LYS+ HN      63 LYS+ HA       3.480   (#SUP   7.56 )
 &rst
  ixpk= 7, nxpk= 0, iat= 986, 988, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   63 LYS+ HN      63 LYS+ QB       3.620   (#SUP   7.33 )
 &rst
  ixpk= 7, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 990, 991,
 &end
#
#   63 LYS+ HN      63 LYS+ QG       3.810   (#SUP   7.54 )
 &rst
  ixpk= 7, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 993, 994,
 &end
#
#   63 LYS+ HN      63 LYS+ QD       4.340   (#SUP   8.20 )
 &rst
  ixpk= 8, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 996, 997,
 &end
#
#   63 LYS+ HN      63 LYS+ QE       5.220   (#SUP   6.53 )
 &rst
  ixpk= 6, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 999,1000,
 &end
#
#   63 LYS+ HN      64 GLU- QB       5.500   (#SUP   4.71 )
 &rst
  ixpk= 4, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1012,1013,
 &end
#
#   63 LYS+ HN      64 GLU- HN       4.060   (#SUP  10.00 )
 &rst
  ixpk= 10, nxpk= 0, iat= 986,1008, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   63 LYS+ HN      65 TYR  HN       5.500   (#SUP   8.83 )
 &rst
  ixpk= 8, nxpk= 0, iat= 986,1023, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 LYS+ HN      65 TYR  QD       5.500   (#SUP   4.86 )
 &rst
  ixpk= 4, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1031,1040,
 &end
#
#   63 LYS+ QD      64 GLU- HN       3.290   (#SUP   8.41 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1= 996, 997,
 &end
#
#   63 LYS+ QD      65 TYR  HN       4.160   (#SUP   6.89 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 996, 997,
 &end
#
#   63 LYS+ QD      66 LYS+ HN       5.500   (#SUP   3.54 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 996, 997,
 &end
#
#   63 LYS+ QE      64 GLU- HN       5.500   (#SUP   6.05 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 999,1000,
 &end
#
#   64 GLU- HA      65 TYR  HN       4.130   (#SUP   8.22 )
 &rst
  ixpk= 8, nxpk= 0, iat=1010,1023, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   64 GLU- HA      66 LYS+ HN       5.280   (#SUP   3.77 )
 &rst
  ixpk= 3, nxpk= 0, iat=1010,1044, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   64 GLU- QB      65 TYR  HN       5.500   (#SUP   6.12 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1012,1013,
 &end
#
#   64 GLU- HN      64 GLU- HA       3.750   (#SUP   7.72 )
 &rst
  ixpk= 7, nxpk= 0, iat=1008,1010, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   64 GLU- HN      64 GLU- QB       4.080   (#SUP   6.68 )
 &rst
  ixpk= 6, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1012,1013,
 &end
#
#   64 GLU- HN      64 GLU- QG       3.680   (#SUP   6.79 )
 &rst
  ixpk= 6, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1015,1016,
 &end
#
#   64 GLU- HN      65 TYR  HA       5.470   (#SUP   6.56 )
 &rst
  ixpk= 6, nxpk= 0, iat=1008,1025, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   64 GLU- HN      65 TYR  QB       5.330   (#SUP   6.04 )
 &rst
  ixpk= 6, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1027,1028,
 &end
#
#   64 GLU- HN      65 TYR  HN       3.695   (#SUP  10.00 )
 &rst
  ixpk= 10, nxpk= 0, iat=1008,1023, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   64 GLU- HN      65 TYR  QD       5.160   (#SUP   7.70 )
 &rst
  ixpk= 7, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=1031,1040,
 &end
#
#   64 GLU- HN      65 TYR  QE       5.500   (#SUP   5.65 )
 &rst
  ixpk= 5, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1033,1038,
 &end
#
#   64 GLU- HN      66 LYS+ HN       5.380   (#SUP   7.21 )
 &rst
  ixpk= 7, nxpk= 0, iat=1008,1044, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   65 TYR  HA      66 LYS+ HN       4.240   (#SUP   7.41 )
 &rst
  ixpk= 7, nxpk= 0, iat=1025,1044, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   65 TYR  QB      66 LYS+ HN       4.600   (#SUP   6.39 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1027,1028,
 &end
#
#   65 TYR  QB      67 ILE  HN       5.010   (#SUP   6.19 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1027,1028,
 &end
#
#   65 TYR  QB      66 LYS+ HN       4.600   (#SUP   6.39 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1027,1028,
 &end
#
#   65 TYR  HN      65 TYR  HA       3.820   (#SUP   7.87 )
 &rst
  ixpk= 7, nxpk= 0, iat=1023,1025, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#   65 TYR  HN      65 TYR  QB       3.810   (#SUP   6.49 )
 &rst
  ixpk= 6, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1027,1028,
 &end
#
#   65 TYR  HN      65 TYR  QD       3.590   (#SUP   7.95 )
 &rst
  ixpk= 7, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr2=1031,1040,
 &end
#
#   65 TYR  HN      65 TYR  QE       4.860   (#SUP   6.63 )
 &rst
  ixpk= 6, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1033,1038,
 &end
#
#   65 TYR  HN      66 LYS+ HA       4.600   (#SUP   5.85 )
 &rst
  ixpk= 5, nxpk= 0, iat=1023,1046, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   65 TYR  HN      66 LYS+ HN       3.570   (#SUP  10.00 )
 &rst
  ixpk= 10, nxpk= 0, iat=1023,1044, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   65 TYR  HN      66 LYS+ QG       4.460   (#SUP   5.85 )
 &rst
  ixpk= 5, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1051,1052,
 &end
#
#   65 TYR  HN      67 ILE  HN       5.145   (#SUP   6.84 )
 &rst
  ixpk= 6, nxpk= 0, iat=1023,1066, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#   65 TYR  HN      67 ILE  QG1      5.330   (#SUP   2.68 )
 &rst
  ixpk= 2, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1076,1077,
 &end
#
#   65 TYR  QD      66 LYS+ HN       4.890   (#SUP   8.62 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1044, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1=1031,1040,
 &end
#
#   65 TYR  QD      67 ILE  HN       5.410   (#SUP   3.88 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1031,1040,
 &end
#
#   66 LYS+ HA      67 ILE  HN       3.460   (#SUP   6.84 )
 &rst
  ixpk= 6, nxpk= 0, iat=1046,1066, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   66 LYS+ QB      67 ILE  HN       5.420   (#SUP   6.26 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=1048,1049,
 &end
#
#   66 LYS+ HN      66 LYS+ HA       3.000   (#SUP   7.30 )
 &rst
  ixpk= 7, nxpk= 0, iat=1044,1046, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 LYS+ HN      66 LYS+ QB       4.220   (#SUP   7.49 )
 &rst
  ixpk= 7, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1048,1049,
 &end
#
#   66 LYS+ HN      66 LYS+ QD       4.600   (#SUP   5.32 )
 &rst
  ixpk= 5, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1054,1055,
 &end
#
#   66 LYS+ HN      66 LYS+ QE       5.440   (#SUP   5.10 )
 &rst
  ixpk= 5, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=1057,1058,
 &end
#
#   66 LYS+ HN      66 LYS+ QG       3.370   (#SUP   8.52 )
 &rst
  ixpk= 8, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2=1051,1052,
 &end
#
#   66 LYS+ HN      67 ILE  HN       3.955   (#SUP  10.00 )
 &rst
  ixpk= 10, nxpk= 0, iat=1044,1066, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   66 LYS+ HN      67 ILE  QD1      5.500   (#SUP   5.79 )
 &rst
  ixpk= 5, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1079,1080,1081,
 &end
#
#   66 LYS+ HN      67 ILE  QG1      5.090   (#SUP   5.32 )
 &rst
  ixpk= 5, nxpk= 0, iat=1044,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr2=1076,1077,
 &end
#
#   66 LYS+ QG      67 ILE  HN       4.950   (#SUP   7.21 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1051,1052,
 &end
#
#   67 ILE  HA      68 ASP- HN       3.040   (#SUP   5.57 )
 &rst
  ixpk= 5, nxpk= 0, iat=1068,1085, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#   67 ILE  HB      68 ASP- HN       4.800   (#SUP   5.57 )
 &rst
  ixpk= 5, nxpk= 0, iat=1070,1085, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   67 ILE  HN      67 ILE  HA       3.830   (#SUP   6.57 )
 &rst
  ixpk= 6, nxpk= 0, iat=1066,1068, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   67 ILE  HN      67 ILE  HB       3.300   (#SUP   6.57 )
 &rst
  ixpk= 6, nxpk= 0, iat=1066,1070, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   67 ILE  HN      67 ILE  QD1      3.860   (#SUP   6.53 )
 &rst
  ixpk= 6, nxpk= 0, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1079,1080,1081,
 &end
#
#   67 ILE  HN      67 ILE  QG1      3.450   (#SUP   7.07 )
 &rst
  ixpk= 7, nxpk= 0, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1076,1077,
 &end
#
#   67 ILE  HN      67 ILE  MG2      3.680   (#SUP   6.14 )
 &rst
  ixpk= 6, nxpk= 0, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1072,1073,1074,
 &end
#
#   67 ILE  HN      68 ASP- HN       5.360   (#SUP   5.62 )
 &rst
  ixpk= 5, nxpk= 0, iat=1066,1085, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   67 ILE  QD1     68 ASP- HN       4.740   (#SUP   4.93 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1079,1080,1081,
 &end
#
#   67 ILE  QG1     68 ASP- HN       4.930   (#SUP   5.47 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1=1076,1077,
 &end
#
#   67 ILE  MG2     68 ASP- HN       3.570   (#SUP   7.05 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     69 GLU- HN       5.430   (#SUP   4.23 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     70 LYS+ HN       5.500   (#SUP   5.31 )
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     71 ASN  HN       5.290   (#SUP   3.60 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=1072,1073,1074,
 &end
#
#   67 ILE  MG2     72 PHE  HN       5.500   (#SUP   0.82 )
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1072,1073,1074,
 &end
#
#   68 ASP- HA      69 GLU- HN       3.120   (#SUP   4.80 )
 &rst
  ixpk= 4, nxpk= 0, iat=1087,1097, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#   68 ASP- HA      70 LYS+ HN       4.270   (#SUP   5.71 )
 &rst
  ixpk= 5, nxpk= 0, iat=1087,1112, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   68 ASP- HA      71 ASN  HN       4.690   (#SUP   4.70 )
 &rst
  ixpk= 4, nxpk= 0, iat=1087,1134, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   68 ASP- HN      68 ASP- HA       3.720   (#SUP   3.57 )
 &rst
  ixpk= 3, nxpk= 0, iat=1085,1087, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   68 ASP- HN      68 ASP- QB       3.230   (#SUP   4.38 )
 &rst
  ixpk= 4, nxpk= 0, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr2=1089,1090,
 &end
#
#   68 ASP- HN      69 GLU- HN       5.200   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat=1085,1097, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   68 ASP- HN      70 LYS+ HN       5.500   (#SUP   6.32 )
 &rst
  ixpk= 6, nxpk= 0, iat=1085,1112, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 ASP- HN      71 ASN  HN       5.500   (#SUP   5.30 )
 &rst
  ixpk= 5, nxpk= 0, iat=1085,1134, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 ASP- QB      69 GLU- HN       3.810   (#SUP   6.53 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1097, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1=1089,1090,
 &end
#
#   68 ASP- QB      70 LYS+ HN       4.280   (#SUP   8.15 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=1089,1090,
 &end
#
#   68 ASP- QB      71 ASN  QD2      4.680   (#SUP   2.01 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1089,1090,
 igr2=1143,1144,
 &end
#
#   68 ASP- QB      71 ASN  HN       4.030   (#SUP   8.61 )
 &rst
  ixpk= 8, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1089,1090,
 &end
#
#   69 GLU- HA      70 LYS+ HN       4.250   (#SUP   8.78 )
 &rst
  ixpk= 8, nxpk= 0, iat=1099,1112, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   69 GLU- HA      71 ASN  HN       4.450   (#SUP   4.94 )
 &rst
  ixpk= 4, nxpk= 0, iat=1099,1134, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   69 GLU- QB      70 LYS+ HN       5.500   (#SUP   6.89 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1101,1102,
 &end
#
#   69 GLU- QG      70 LYS+ HN       4.620   (#SUP   7.24 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1112, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1104,1105,
 &end
#
#   69 GLU- QG      71 ASN  HN       5.500   (#SUP   4.94 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1104,1105,
 &end
#
#   69 GLU- HN      69 GLU- HA       3.600   (#SUP   6.57 )
 &rst
  ixpk= 6, nxpk= 0, iat=1097,1099, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   69 GLU- HN      69 GLU- QB       4.180   (#SUP   5.92 )
 &rst
  ixpk= 5, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2=1101,1102,
 &end
#
#   69 GLU- HN      69 GLU- QG       3.880   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1104,1105,
 &end
#
#   69 GLU- HN      70 LYS+ HN       4.220   (#SUP  10.00 )
 &rst
  ixpk= 10, nxpk= 0, iat=1097,1112, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   69 GLU- HN      70 LYS+ QE       5.500   (#SUP   3.89 )
 &rst
  ixpk= 3, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1125,1126,
 &end
#
#   69 GLU- HN      70 LYS+ QG       5.000   (#SUP   5.52 )
 &rst
  ixpk= 5, nxpk= 0, iat=1097,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1119,1120,
 &end
#
#   69 GLU- HN      71 ASN  HN       5.270   (#SUP   7.98 )
 &rst
  ixpk= 7, nxpk= 0, iat=1097,1134, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   70 LYS+ HA      71 ASN  HN       3.970   (#SUP   6.45 )
 &rst
  ixpk= 6, nxpk= 0, iat=1114,1134, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   70 LYS+ QD      71 ASN  HN       5.070   (#SUP   6.13 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1122,1123,
 &end
#
#   70 LYS+ HN      70 LYS+ HA       3.650   (#SUP   6.83 )
 &rst
  ixpk= 6, nxpk= 0, iat=1112,1114, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   70 LYS+ HN      70 LYS+ QD       5.170   (#SUP   6.92 )
 &rst
  ixpk= 6, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1122,1123,
 &end
#
#   70 LYS+ HN      70 LYS+ QB       3.380   (#SUP   7.06 )
 &rst
  ixpk= 7, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1116,1117,
 &end
#
#   70 LYS+ HN      70 LYS+ QE       4.790   (#SUP   6.72 )
 &rst
  ixpk= 6, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1125,1126,
 &end
#
#   70 LYS+ HN      70 LYS+ QG       3.470   (#SUP   8.52 )
 &rst
  ixpk= 8, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1119,1120,
 &end
#
#   70 LYS+ HN      71 ASN  HA       5.500   (#SUP   4.66 )
 &rst
  ixpk= 4, nxpk= 0, iat=1112,1136, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 LYS+ HN      71 ASN  QB       5.140   (#SUP   5.02 )
 &rst
  ixpk= 5, nxpk= 0, iat=1112,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2=1138,1139,
 &end
#
#   70 LYS+ HN      71 ASN  HN       3.260   (#SUP  10.00 )
 &rst
  ixpk= 10, nxpk= 0, iat=1112,1134, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#   70 LYS+ QB      71 ASN  HN       4.370   (#SUP   6.69 )
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1116,1117,
 &end
#
#   70 LYS+ QG      71 ASN  HN       4.630   (#SUP   7.65 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1119,1120,
 &end
#
#   71 ASN  HA      72 PHE  HN       3.300   (#SUP   4.56 )
 &rst
  ixpk= 4, nxpk= 0, iat=1136,1148, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#   71 ASN  QB      71 ASN  QD2      4.590   (#SUP   3.97 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=1138,1139,
 igr2=1143,1144,
 &end
#
#   71 ASN  QB      72 PHE  HN       3.900   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1138,1139,
 &end
#
#   71 ASN  QB      71 ASN  QD2      4.460   (#SUP   4.18 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1138,1139,
 igr2=1143,1144,
 &end
#
#   71 ASN  QB      72 PHE  HN       3.900   (#SUP   4.45 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1=1138,1139,
 &end
#
#   71 ASN  HN      71 ASN  HA       3.770   (#SUP   6.23 )
 &rst
  ixpk= 6, nxpk= 0, iat=1134,1136, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   71 ASN  HN      71 ASN  QB       3.880   (#SUP   7.09 )
 &rst
  ixpk= 7, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr2=1138,1139,
 &end
#
#   71 ASN  HN      71 ASN  QD2      5.500   (#SUP   5.49 )
 &rst
  ixpk= 5, nxpk= 0, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1143,1144,
 &end
#
#   71 ASN  HN      72 PHE  HA       5.500   (#SUP   3.23 )
 &rst
  ixpk= 3, nxpk= 0, iat=1134,1150, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 PHE  HA      73 VAL  HN       3.210   (#SUP   5.68 )
 &rst
  ixpk= 5, nxpk= 0, iat=1150,1168, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#   72 PHE  QB      73 VAL  HN       4.120   (#SUP   4.62 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1152,1153,
 &end
#
#   72 PHE  HN      72 PHE  HA       3.860   (#SUP   6.94 )
 &rst
  ixpk= 6, nxpk= 0, iat=1148,1150, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   72 PHE  HN      72 PHE  QB       4.290   (#SUP   5.51 )
 &rst
  ixpk= 5, nxpk= 0, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2=1152,1153,
 &end
#
#   72 PHE  HN      72 PHE  QD       4.020   (#SUP   7.37 )
 &rst
  ixpk= 7, nxpk= 0, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2=1156,1164,
 &end
#
#   72 PHE  HN      72 PHE  QE       5.400   (#SUP   3.36 )
 &rst
  ixpk= 3, nxpk= 0, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1158,1162,
 &end
#
#   72 PHE  HN      73 VAL  HN       5.120   (#SUP   5.25 )
 &rst
  ixpk= 5, nxpk= 0, iat=1148,1168, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   72 PHE  QD      73 VAL  HN       4.920   (#SUP   7.87 )
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1168, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1=1156,1164,
 &end
#
#   72 PHE  QD      74 VAL  HN       5.080   (#SUP   4.72 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1156,1164,
 &end
#
#   73 VAL  HA      74 VAL  HN       3.160   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat=1170,1184, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   73 VAL  HB      74 VAL  HN       4.920   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat=1172,1184, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   73 VAL  HN      73 VAL  HA       3.990   (#SUP   5.55 )
 &rst
  ixpk= 5, nxpk= 0, iat=1168,1170, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   73 VAL  HN      73 VAL  HB       3.520   (#SUP   2.93 )
 &rst
  ixpk= 2, nxpk= 0, iat=1168,1172, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   73 VAL  HN      74 VAL  HA       5.500   (#SUP   3.37 )
 &rst
  ixpk= 3, nxpk= 0, iat=1168,1186, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 VAL  HA      75 VAL  HN       3.020   (#SUP   5.38 )
 &rst
  ixpk= 5, nxpk= 0, iat=1186,1200, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#   74 VAL  HB      75 VAL  HN       4.840   (#SUP   3.40 )
 &rst
  ixpk= 3, nxpk= 0, iat=1188,1200, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   74 VAL  HN      74 VAL  HA       4.230   (#SUP   5.63 )
 &rst
  ixpk= 5, nxpk= 0, iat=1184,1186, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#   74 VAL  HN      74 VAL  HB       3.410   (#SUP   4.00 )
 &rst
  ixpk= 4, nxpk= 0, iat=1184,1188, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#   75 VAL  HA      76 MET  HN       3.060   (#SUP   3.75 )
 &rst
  ixpk= 3, nxpk= 0, iat=1202,1216, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   75 VAL  HN      75 VAL  HA       4.100   (#SUP   4.67 )
 &rst
  ixpk= 4, nxpk= 0, iat=1200,1202, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   75 VAL  HN      75 VAL  HB       3.860   (#SUP   3.03 )
 &rst
  ixpk= 3, nxpk= 0, iat=1200,1204, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   75 VAL  HN      76 MET  HN       4.510   (#SUP   2.78 )
 &rst
  ixpk= 2, nxpk= 0, iat=1200,1216, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   76 MET  HA      77 VAL  HN       2.960   (#SUP   4.43 )
 &rst
  ixpk= 4, nxpk= 0, iat=1218,1233, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#   76 MET  QG      77 VAL  HN       5.500   (#SUP   3.28 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1223,1224,
 &end
#
#   76 MET  HN      76 MET  HA       3.890   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat=1216,1218, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   76 MET  HN      76 MET  QG       3.940   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2=1223,1224,
 &end
#
#   76 MET  HN      76 MET  QB       3.980   (#SUP   3.52 )
 &rst
  ixpk= 3, nxpk= 0, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2=1220,1221,
 &end
#
#   76 MET  HN      77 VAL  HN       5.150   (#SUP   4.21 )
 &rst
  ixpk= 4, nxpk= 0, iat=1216,1233, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   76 MET  QB      77 VAL  HN       4.560   (#SUP   4.43 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1=1220,1221,
 &end
#
#   77 VAL  HA      78 THR  HN       3.000   (#SUP   3.92 )
 &rst
  ixpk= 3, nxpk= 0, iat=1235,1249, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 VAL  HB      78 THR  HN       4.560   (#SUP   3.82 )
 &rst
  ixpk= 3, nxpk= 0, iat=1237,1249, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   77 VAL  HN      77 VAL  HA       4.020   (#SUP   4.90 )
 &rst
  ixpk= 4, nxpk= 0, iat=1233,1235, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   77 VAL  HN      77 VAL  HB       3.480   (#SUP   4.75 )
 &rst
  ixpk= 4, nxpk= 0, iat=1233,1237, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   77 VAL  HN      78 THR  HN       5.480   (#SUP   4.59 )
 &rst
  ixpk= 4, nxpk= 0, iat=1233,1249, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   77 VAL  HN      78 THR  MG2      5.500   (#SUP   2.38 )
 &rst
  ixpk= 2, nxpk= 0, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1255,1256,1257,
 &end
#
#   78 THR  HA      79 LYS+ HN       3.290   (#SUP   4.10 )
 &rst
  ixpk= 4, nxpk= 0, iat=1251,1263, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#   78 THR  HB      79 LYS+ HN       4.210   (#SUP   4.22 )
 &rst
  ixpk= 4, nxpk= 0, iat=1253,1263, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   78 THR  HN      78 THR  HA       3.730   (#SUP   5.35 )
 &rst
  ixpk= 5, nxpk= 0, iat=1249,1251, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   78 THR  HN      78 THR  HB       3.880   (#SUP   4.74 )
 &rst
  ixpk= 4, nxpk= 0, iat=1249,1253, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   78 THR  HN      78 THR  MG2      4.260   (#SUP   5.32 )
 &rst
  ixpk= 5, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1255,1256,1257,
 &end
#
#   78 THR  HN      79 LYS+ HN       4.960   (#SUP   5.28 )
 &rst
  ixpk= 5, nxpk= 0, iat=1249,1263, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   78 THR  HN      79 LYS+ QB       4.850   (#SUP   2.88 )
 &rst
  ixpk= 2, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1267,1268,
 &end
#
#   78 THR  MG2     79 LYS+ HN       4.460   (#SUP   4.10 )
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1263, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1=1255,1256,1257,
 &end
#
#   79 LYS+ HN      79 LYS+ HA       4.690   (#SUP   5.64 )
 &rst
  ixpk= 5, nxpk= 0, iat=1263,1265, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   79 LYS+ HN      79 LYS+ QB       3.700   (#SUP   4.98 )
 &rst
  ixpk= 4, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2=1267,1268,
 &end
#
#   79 LYS+ HN      79 LYS+ QD       4.670   (#SUP   5.06 )
 &rst
  ixpk= 5, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2=1273,1274,
 &end
#
#   79 LYS+ HN      79 LYS+ QG       5.080   (#SUP   4.77 )
 &rst
  ixpk= 4, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1270,1271,
 &end
#
#   79 LYS+ HN      80 PRO  QD       5.500   (#SUP   3.71 )
 &rst
  ixpk= 3, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1286,1287,
 &end
#
#   80 PRO  HA      81 LYS+ HN       3.350   (#SUP   3.18 )
 &rst
  ixpk= 3, nxpk= 0, iat=1295,1299, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   80 PRO  QB      81 LYS+ HN       4.770   (#SUP   3.58 )
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1=1292,1293,
 &end
#
#   81 LYS+ HA      82 ALA  HN       3.830   (#SUP   2.21 )
 &rst
  ixpk= 2, nxpk= 0, iat=1301,1321, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   81 LYS+ HA      83 VAL  HN       5.500   (#SUP   1.82 )
 &rst
  ixpk= 1, nxpk= 0, iat=1301,1331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   81 LYS+ HN      81 LYS+ HA       4.460   (#SUP   3.17 )
 &rst
  ixpk= 3, nxpk= 0, iat=1299,1301, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   81 LYS+ HN      81 LYS+ QB       3.780   (#SUP   3.71 )
 &rst
  ixpk= 3, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1303,1304,
 &end
#
#   81 LYS+ HN      81 LYS+ QD       5.500   (#SUP   2.44 )
 &rst
  ixpk= 2, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1309,1310,
 &end
#
#   81 LYS+ HN      81 LYS+ QG       4.880   (#SUP   3.72 )
 &rst
  ixpk= 3, nxpk= 0, iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1306,1307,
 &end
#
#   81 LYS+ QB      82 ALA  HN       4.870   (#SUP   2.21 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1303,1304,
 &end
#
#   81 LYS+ QB      83 VAL  HN       5.500   (#SUP   1.82 )
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1303,1304,
 &end
#
#   82 ALA  HA      83 VAL  HN       3.720   (#SUP   2.36 )
 &rst
  ixpk= 2, nxpk= 0, iat=1323,1331, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   82 ALA  HN      82 ALA  HA       5.500   (#SUP   1.82 )
 &rst
  ixpk= 1, nxpk= 0, iat=1321,1323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 ALA  HN      82 ALA  MB       4.330   (#SUP   1.82 )
 &rst
  ixpk= 1, nxpk= 0, iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1325,1326,1327,
 &end
#
#   82 ALA  MB      83 VAL  HN       5.040   (#SUP   2.36 )
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1331, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1325,1326,1327,
 &end
#
#   83 VAL  HA      84 SER  HN       4.730   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=1333,1347, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   83 VAL  HN      83 VAL  HB       4.880   (#SUP   1.22 )
 &rst
  ixpk= 1, nxpk= 0, iat=1331,1335, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   84 SER  HA      85 THR  HN       5.040   (#SUP   1.00 )
 &rst
  ixpk= 1, nxpk= 0, iat=1349,1358, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#    6 VAL  HA       0 AMB  n2:11    3.145   (#SUP   3.28)
 &rst
  ixpk= 3, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=  79,  80,  81,  83,  84,  85,
 &end
#
#    0 AMB  n2:11   67 ILE  HA       4.540   (#SUP   1.84)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=  79,  80,  81,  83,  84,  85,
 &end
#
#    0 AMB  n2:11   67 ILE  MG2      2.960   (#SUP   4.15)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=  79,  80,  81,  83,  84,  85,
 igr2=1072,1073,1074,
 &end
#
#    8 LEU  HA       0 AMB  n2:12    3.830   (#SUP   5.54)
 &rst
  ixpk= 5, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 112, 113, 114, 116, 117, 118,
 &end
#
#    8 LEU  HA       0 AMB  n2:22    4.860   (#SUP   1.94)
 &rst
  ixpk= 1, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#    8 LEU  QB       0 AMB  n2:12    3.670   (#SUP   3.00)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 107, 108,
 igr2= 112, 113, 114, 116, 117, 118,
 &end
#
#    0 AMB  n2:12   15 THR  MG2      4.465   (#SUP   4.59)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 112, 113, 114, 116, 117, 118,
 igr2= 234, 235, 236,
 &end
#
#    0 AMB  n2:12   16 PHE  HZ       4.840   (#SUP   5.66)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 112, 113, 114, 116, 117, 118,
 &end
#
#    0 AMB  n2:12   16 PHE  QD       4.720   (#SUP   5.31)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 112, 113, 114, 116, 117, 118,
 igr2= 250, 258,
 &end
#
#    0 AMB  n2:12   16 PHE  QE       4.355   (#SUP   5.73)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 112, 113, 114, 116, 117, 118,
 igr2= 252, 256,
 &end
#
#    0 AMB  n2:12    0 AMB  n2:22    5.025   (#SUP   1.88)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.13, r4= 9.63,
 igr1= 112, 113, 114, 116, 117, 118,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#    9 LYS+ HA       0 AMB  n2:21    4.590   (#SUP   0.28)
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   10 THR  HA       0 AMB  n2:21    4.760   (#SUP   1.33)
 &rst
  ixpk= 1, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   10 THR  HA       0 AMB  n2:22    3.965   (#SUP   2.25)
 &rst
  ixpk= 2, nxpk= 0, iat= 146,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   11 LEU  HA       0 AMB  n2:13    4.750   (#SUP   3.07)
 &rst
  ixpk= 3, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 167, 168, 169, 171, 172, 173,
 &end
#
#    0 AMB  n2:13   76 MET  QB       4.645   (#SUP   1.50)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1= 167, 168, 169, 171, 172, 173,
 igr2=1220,1221,
 &end
#
#   16 PHE  HZ       0 AMB  n2:22    4.595   (#SUP   1.95)
 &rst
  ixpk= 1, nxpk= 0, iat= 254,  -1, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   16 PHE  QE       0 AMB  n2:22    4.420   (#SUP   2.00)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 252, 256,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   26 VAL  HA       0 AMB  n2:14    3.425   (#SUP   2.96)
 &rst
  ixpk= 2, nxpk= 0, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   27 LYS+ HA       4.560   (#SUP   2.46)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 422, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   58 ASP- HA       3.330   (#SUP   4.79)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   62 LEU  HA       4.280   (#SUP   0.75)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 969, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   65 TYR  QE       3.205   (#SUP   2.00)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 410, 411, 412, 414, 415, 416,
 igr2=1033,1038,
 &end
#
#   27 LYS+ HA       0 AMB  n2:16    4.375   (#SUP   1.04)
 &rst
  ixpk= 1, nxpk= 0, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 703, 704, 705, 707, 708, 709,
 &end
#
#   29 LEU  HA       0 AMB  n2:15    3.290   (#SUP   4.41)
 &rst
  ixpk= 4, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 461, 462, 463, 465, 466, 467,
 &end
#
#   42 PHE  HZ       0 AMB  n2:22    5.010   (#SUP   1.50)
 &rst
  ixpk= 1, nxpk= 0, iat= 675,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   42 PHE  QD       0 AMB  n2:22    3.960   (#SUP   2.96)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 671, 679,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   42 PHE  QD       0 AMB  n2:23    3.585   (#SUP   0.75)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 671, 679,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   42 PHE  QE       0 AMB  n2:22    3.670   (#SUP   2.54)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 673, 677,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   43 PRO  HA       0 AMB  n2:16    4.860   (#SUP   3.64)
 &rst
  ixpk= 3, nxpk= 0, iat= 693,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 703, 704, 705, 707, 708, 709,
 &end
#
#   44 VAL  HA       0 AMB  n2:16    3.660   (#SUP   3.44)
 &rst
  ixpk= 3, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 703, 704, 705, 707, 708, 709,
 &end
#
#    0 AMB  n2:16   45 ALA  HA       4.230   (#SUP   2.60)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 703, 704, 705, 707, 708, 709,
 &end
#
#   46 GLY  QA       0 AMB  n2:23    5.085   (#SUP   3.19)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 725, 726,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   47 GLN  HA       0 AMB  n2:23    3.490   (#SUP   5.51)
 &rst
  ixpk= 5, nxpk= 0, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   49 LEU  HA       0 AMB  n2:17    4.015   (#SUP   2.38)
 &rst
  ixpk= 2, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   49 LEU  HA       0 AMB  n2:18    5.075   (#SUP   2.59)
 &rst
  ixpk= 2, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   49 LEU  HA       0 AMB  n2:20    3.800   (#SUP   0.68)
 &rst
  ixpk= 0, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   49 LEU  HA       0 AMB  n2:22    4.680   (#SUP   3.61)
 &rst
  ixpk= 3, nxpk= 0, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   49 LEU  QB       0 AMB  n2:18    3.785   (#SUP   2.58)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 773, 774,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  n2:17   75 VAL  HA       3.490   (#SUP   1.46)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#   50 ILE  HA       0 AMB  n2:18    4.695   (#SUP   6.12)
 &rst
  ixpk= 6, nxpk= 0, iat= 790,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   51 TYR  HA       0 AMB  n2:18    5.350   (#SUP   2.07)
 &rst
  ixpk= 2, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   51 TYR  HA       0 AMB  n2:20    3.935   (#SUP   4.88)
 &rst
  ixpk= 4, nxpk= 0, iat= 809,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   51 TYR  QB       0 AMB  n2:18    4.005   (#SUP   3.65)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 811, 812,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   51 TYR  QB       0 AMB  n2:18    3.960   (#SUP   3.65)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 811, 812,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   51 TYR  QB       0 AMB  n2:20    4.140   (#SUP   3.69)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 811, 812,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   51 TYR  QD       0 AMB  n2:20    3.170   (#SUP   6.19)
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 815, 824,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   51 TYR  QE       0 AMB  n2:20    3.460   (#SUP   4.84)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 817, 822,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   54 LYS+ QB       0 AMB  n2:18    4.385   (#SUP   4.01)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1= 849, 850,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   54 LYS+ QG       0 AMB  n2:18    4.185   (#SUP   3.01)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr1= 852, 853,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   55 ILE  HA       0 AMB  n2:18    4.965   (#SUP   5.55)
 &rst
  ixpk= 5, nxpk= 0, iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   55 ILE  MG2      0 AMB  n2:18    5.335   (#SUP   6.45)
 &rst
  ixpk= 6, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,
 igr1= 873, 874, 875,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HA       0 AMB  n2:18    4.335   (#SUP   4.41)
 &rst
  ixpk= 4, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  QB       0 AMB  n2:18    4.480   (#SUP   5.02)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 890, 891,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  n2:18   65 TYR  QB       4.800   (#SUP   3.00)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.26, r4= 7.76,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2=1027,1028,
 &end
#
#    0 AMB  n2:18   65 TYR  QD       4.175   (#SUP   4.19)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2=1031,1040,
 &end
#
#    0 AMB  n2:18   65 TYR  QE       4.635   (#SUP   4.75)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2=1033,1038,
 &end
#
#    0 AMB  n2:18   65 TYR  QD       4.175   (#SUP   4.19)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2=1031,1040,
 &end
#
#    0 AMB  n2:18   65 TYR  QE       4.635   (#SUP   4.75)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 895, 896, 897, 899, 900, 901,
 igr2=1033,1038,
 &end
#
#   62 LEU  HA       0 AMB  n2:19    4.650   (#SUP   4.74)
 &rst
  ixpk= 4, nxpk= 0, iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 976, 977, 978, 980, 981, 982,
 &end
#
#    0 AMB  n2:19   65 TYR  QE       4.165   (#SUP   3.29)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 976, 977, 978, 980, 981, 982,
 igr2=1033,1038,
 &end
#
#   67 ILE  QD1      0 AMB  n2:20    4.410   (#SUP   0.89)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1079,1080,1081,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   72 PHE  HA       0 AMB  n2:20    4.455   (#SUP   3.51)
 &rst
  ixpk= 3, nxpk= 0, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#   72 PHE  QD       0 AMB  n2:21    4.725   (#SUP   4.53)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr1=1156,1164,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   72 PHE  QE       0 AMB  n2:21    4.515   (#SUP   2.00)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1158,1162,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   73 VAL  HA       0 AMB  n2:20    3.060   (#SUP   3.69)
 &rst
  ixpk= 3, nxpk= 0, iat=1170,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#    0 AMB  n2:20   74 VAL  HA       5.270   (#SUP   4.40)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=1174,1175,1176,1178,1179,1180,
 &end
#
#    0 AMB  n2:20   75 VAL  HA       4.615   (#SUP   1.78)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1174,1175,1176,1178,1179,1180,
 &end
#
#   74 VAL  HA       0 AMB  n2:21    3.510   (#SUP   4.42)
 &rst
  ixpk= 4, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   74 VAL  HA       0 AMB  n2:22    4.405   (#SUP   2.92)
 &rst
  ixpk= 2, nxpk= 0, iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#    0 AMB  n2:21   75 VAL  HA       4.740   (#SUP   2.73)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1202, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   75 VAL  HA       0 AMB  n2:22    3.745   (#SUP   3.91)
 &rst
  ixpk= 3, nxpk= 0, iat=1202,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   77 VAL  HA       0 AMB  n2:23    3.090   (#SUP   3.29)
 &rst
  ixpk= 3, nxpk= 0, iat=1235,  -1, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#    0 AMB  n2:23   78 THR  HA       3.500   (#SUP   2.20)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1239,1240,1241,1243,1244,1245,
 &end
#
#    5 GLN  HN       0 AMB  n2:11    4.960   (#SUP   2.93)
 &rst
  ixpk= 2, nxpk= 0, iat=  56,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr2=  79,  80,  81,  83,  84,  85,
 &end
#
#    6 VAL  HN       0 AMB  n2:11    3.270   (#SUP   3.64)
 &rst
  ixpk= 3, nxpk= 0, iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=  79,  80,  81,  83,  84,  85,
 &end
#
#    0 AMB  n2:11    7 THR  HN       3.410   (#SUP   3.15)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,  89, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=  79,  80,  81,  83,  84,  85,
 &end
#
#    0 AMB  n2:11   67 ILE  HN       5.010   (#SUP   1.77)
 &rst
  ixpk= 1, nxpk= 0, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=  79,  80,  81,  83,  84,  85,
 &end
#
#    0 AMB  n2:11   68 ASP- HN       5.500   (#SUP   2.48)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  79,  80,  81,  83,  84,  85,
 &end
#
#    8 LEU  HN       0 AMB  n2:12    3.700   (#SUP   5.75)
 &rst
  ixpk= 5, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 112, 113, 114, 116, 117, 118,
 &end
#
#    0 AMB  n2:12    9 LYS+ HN       4.530   (#SUP   4.44)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 122, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 112, 113, 114, 116, 117, 118,
 &end
#
#    0 AMB  n2:12   16 PHE  HN       4.510   (#SUP   7.07)
 &rst
  ixpk= 7, nxpk= 0, iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 112, 113, 114, 116, 117, 118,
 &end
#
#    9 LYS+ HN       0 AMB  n2:21    5.040   (#SUP   1.22)
 &rst
  ixpk= 1, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#   11 LEU  HN       0 AMB  n2:13    4.550   (#SUP   5.34)
 &rst
  ixpk= 5, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 167, 168, 169, 171, 172, 173,
 &end
#
#    0 AMB  n2:13   77 VAL  HN       5.220   (#SUP   2.00)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 167, 168, 169, 171, 172, 173,
 &end
#
#    0 AMB  n2:13   13 GLN  HN       5.500   (#SUP   3.11)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 167, 168, 169, 171, 172, 173,
 &end
#
#    0 AMB  n2:13   76 MET  HN       4.690   (#SUP   2.66)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 167, 168, 169, 171, 172, 173,
 &end
#
#    0 AMB  n2:13   77 VAL  HN       5.220   (#SUP   2.00)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1233, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 167, 168, 169, 171, 172, 173,
 &end
#
#   24 GLU- HN       0 AMB  n2:19    4.390   (#SUP   3.18)
 &rst
  ixpk= 3, nxpk= 0, iat= 375,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 976, 977, 978, 980, 981, 982,
 &end
#
#   25 THR  HN       0 AMB  n2:19    4.700   (#SUP   1.50)
 &rst
  ixpk= 1, nxpk= 0, iat= 390,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 976, 977, 978, 980, 981, 982,
 &end
#
#   26 VAL  HN       0 AMB  n2:14    3.840   (#SUP   5.05)
 &rst
  ixpk= 5, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   27 LYS+ HN       4.380   (#SUP   5.71)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   57 ASN  HN       4.810   (#SUP   3.17)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   58 ASP- HN       5.090   (#SUP   2.27)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   59 ASP- HN       5.500   (#SUP   4.01)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 931, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   60 THR  HN       5.010   (#SUP   4.13)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 943, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   27 LYS+ HN       4.380   (#SUP   5.71)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   57 ASN  HN       4.810   (#SUP   3.17)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#    0 AMB  n2:14   58 ASP- HN       5.090   (#SUP   2.27)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 410, 411, 412, 414, 415, 416,
 &end
#
#   28 ALA  HN       0 AMB  n2:19    4.340   (#SUP   1.95)
 &rst
  ixpk= 1, nxpk= 0, iat= 442,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 976, 977, 978, 980, 981, 982,
 &end
#
#   29 LEU  HN       0 AMB  n2:15    4.300   (#SUP   5.09)
 &rst
  ixpk= 5, nxpk= 0, iat= 452,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 461, 462, 463, 465, 466, 467,
 &end
#
#   42 PHE  HN       0 AMB  n2:23    4.800   (#SUP   0.75)
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   44 VAL  HN       0 AMB  n2:16    4.260   (#SUP   5.15)
 &rst
  ixpk= 5, nxpk= 0, iat= 697,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 703, 704, 705, 707, 708, 709,
 &end
#
#    0 AMB  n2:16   45 ALA  HN       4.430   (#SUP   5.57)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 703, 704, 705, 707, 708, 709,
 &end
#
#    0 AMB  n2:16   46 GLY  HN       5.090   (#SUP   6.45)
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1= 703, 704, 705, 707, 708, 709,
 &end
#
#    0 AMB  n2:16   47 GLN  HN       4.480   (#SUP   4.15)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 703, 704, 705, 707, 708, 709,
 &end
#
#    0 AMB  n2:16   45 ALA  HN       4.430   (#SUP   5.57)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 703, 704, 705, 707, 708, 709,
 &end
#
#   46 GLY  HN       0 AMB  n2:23    4.940   (#SUP   2.12)
 &rst
  ixpk= 2, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   47 GLN  HN       0 AMB  n2:23    4.530   (#SUP   4.63)
 &rst
  ixpk= 4, nxpk= 0, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   48 LYS+ HN       0 AMB  n2:23    4.130   (#SUP   3.17)
 &rst
  ixpk= 3, nxpk= 0, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#   49 LEU  HN       0 AMB  n2:18    5.300   (#SUP   2.58)
 &rst
  ixpk= 2, nxpk= 0, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   50 ILE  HN       0 AMB  n2:18    5.070   (#SUP   3.90)
 &rst
  ixpk= 3, nxpk= 0, iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   51 TYR  HN       0 AMB  n2:18    4.710   (#SUP   5.34)
 &rst
  ixpk= 5, nxpk= 0, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   54 LYS+ HN       0 AMB  n2:18    5.470   (#SUP   3.74)
 &rst
  ixpk= 3, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   55 ILE  HN       0 AMB  n2:18    5.360   (#SUP   6.78)
 &rst
  ixpk= 6, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#   56 LEU  HN       0 AMB  n2:18    4.130   (#SUP   6.49)
 &rst
  ixpk= 6, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  n2:18   57 ASN  HN       5.220   (#SUP   5.21)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  n2:18   65 TYR  HN       5.500   (#SUP   3.00)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#    0 AMB  n2:18   57 ASN  HN       5.220   (#SUP   5.21)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 895, 896, 897, 899, 900, 901,
 &end
#
#   62 LEU  HN       0 AMB  n2:19    3.780   (#SUP   5.88)
 &rst
  ixpk= 5, nxpk= 0, iat= 967,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 976, 977, 978, 980, 981, 982,
 &end
#
#    0 AMB  n2:19   63 LYS+ HN       4.530   (#SUP   6.40)
 &rst
  ixpk= 6, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 976, 977, 978, 980, 981, 982,
 &end
#
#    0 AMB  n2:19   64 GLU- HN       5.500   (#SUP   7.46)
 &rst
  ixpk= 7, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 976, 977, 978, 980, 981, 982,
 &end
#
#    0 AMB  n2:19   65 TYR  HN       5.390   (#SUP   5.48)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1,1023, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 976, 977, 978, 980, 981, 982,
 &end
#
#   72 PHE  HN       0 AMB  n2:20    5.470   (#SUP   2.94)
 &rst
  ixpk= 2, nxpk= 0, iat=1148,  -1, r1= 1.30, r2= 1.80, r3= 7.37, r4= 7.87,
 igr2=1174,1175,1176,1178,1179,1180,
 &end
#
#    0 AMB  n2:20   74 VAL  HN       3.410   (#SUP   4.87)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1184, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=1174,1175,1176,1178,1179,1180,
 &end
#
#    0 AMB  n2:20   75 VAL  HN       4.520   (#SUP   2.90)
 &rst
  ixpk= 2, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1=1174,1175,1176,1178,1179,1180,
 &end
#
#   74 VAL  HN       0 AMB  n2:21    4.050   (#SUP   4.00)
 &rst
  ixpk= 4, nxpk= 0, iat=1184,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1190,1191,1192,1194,1195,1196,
 &end
#
#    0 AMB  n2:21   75 VAL  HN       4.340   (#SUP   3.40)
 &rst
  ixpk= 3, nxpk= 0, iat=  -1,1200, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1=1190,1191,1192,1194,1195,1196,
 &end
#
#   75 VAL  HN       0 AMB  n2:22    3.450   (#SUP   3.81)
 &rst
  ixpk= 3, nxpk= 0, iat=1200,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1206,1207,1208,1210,1211,1212,
 &end
#
#   77 VAL  HN       0 AMB  n2:23    3.620   (#SUP   5.13)
 &rst
  ixpk= 5, nxpk= 0, iat=1233,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2=1239,1240,1241,1243,1244,1245,
 &end
#
#    0 AMB  n2:23   78 THR  HN       3.510   (#SUP   4.52)
 &rst
  ixpk= 4, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1=1239,1240,1241,1243,1244,1245,
 &end
#
#   83 VAL  HN       0 AMB  n2:24    5.500   (#SUP   1.22)
 &rst
  ixpk= 1, nxpk= 0, iat=1331,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr2=1337,1338,1339,1341,1342,1343,
 &end



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLY   1           H1       GLY   1 -11.948 -12.419  -2.524
    2   2H    GLY   1           H2       GLY   1 -12.525 -12.641  -4.042
    3   3H    GLY   1           H3       GLY   1 -10.919 -12.413  -3.796
    4   1HA   GLY   1          HA2       GLY   1 -12.474 -14.737  -2.841
    5   2HA   GLY   1          HA3       GLY   1 -11.399 -14.746  -4.251
    6    H    SER   2           H        SER   2  -9.678 -16.000  -3.657
    7    HA   SER   2           HA       SER   2  -8.438 -16.079  -1.065
    8   1HB   SER   2          HB2       SER   2  -6.582 -17.192  -2.296
    9   2HB   SER   2          HB3       SER   2  -8.174 -17.900  -2.619
   10    HG   SER   2           HG       SER   2  -6.952 -17.579  -4.547
   11    H    HIS   3           H        HIS   3  -8.106 -13.864  -3.732
   12    HA   HIS   3           HA       HIS   3  -6.376 -12.123  -2.054
   13   1HB   HIS   3          HB2       HIS   3  -6.039 -12.774  -5.000
   14   2HB   HIS   3          HB3       HIS   3  -5.528 -11.226  -4.353
   15    HD1  HIS   3           HD1      HIS   3  -4.802 -14.161  -2.056
   16    HD2  HIS   3           HD2      HIS   3  -2.995 -11.817  -5.045
   17    HE1  HIS   3           HE1      HIS   3  -2.296 -14.632  -1.919
   18    H    MET   4           H        MET   4  -6.575  -9.869  -2.670
   19    HA   MET   4           HA       MET   4  -9.143  -8.965  -3.862
   20   1HB   MET   4          HB2       MET   4  -9.504  -9.248  -1.433
   21   2HB   MET   4          HB3       MET   4  -8.062  -8.279  -1.089
   22   1HG   MET   4          HG2       MET   4  -9.105  -6.297  -2.013
   23   2HG   MET   4          HG3       MET   4 -10.500  -7.241  -2.571
   24   1HE   MET   4          HE1       MET   4 -12.171  -5.564  -1.516
   25   2HE   MET   4          HE2       MET   4 -12.109  -5.008   0.168
   26   3HE   MET   4          HE3       MET   4 -10.817  -4.548  -0.964
   27    H    GLN   5           H        GLN   5  -9.005  -6.734  -4.575
   28    HA   GLN   5           HA       GLN   5  -6.202  -5.885  -5.070
   29   1HB   GLN   5          HB2       GLN   5  -6.926  -5.002  -7.195
   30   2HB   GLN   5          HB3       GLN   5  -7.344  -6.715  -7.055
   31   1HG   GLN   5          HG2       GLN   5  -9.664  -6.098  -6.471
   32   2HG   GLN   5          HG3       GLN   5  -9.272  -4.386  -6.654
   33   1HE2  GLN   5          HE21      GLN   5 -11.303  -5.909  -8.097
   34   2HE2  GLN   5          HE22      GLN   5 -10.848  -5.801  -9.809
   35    H    VAL   6           H        VAL   6  -5.589  -3.740  -5.187
   36    HA   VAL   6           HA       VAL   6  -7.455  -1.720  -3.995
   37    HB   VAL   6           HB       VAL   6  -4.584  -2.106  -3.063
   38   1HG1  VAL   6          HG11      VAL   6  -6.851  -0.331  -2.040
   39   2HG1  VAL   6          HG12      VAL   6  -5.282  -0.550  -1.233
   40   3HG1  VAL   6          HG13      VAL   6  -5.349   0.218  -2.808
   41   1HG2  VAL   6          HG21      VAL   6  -7.178  -2.858  -1.634
   42   2HG2  VAL   6          HG22      VAL   6  -5.900  -3.977  -2.165
   43   3HG2  VAL   6          HG23      VAL   6  -5.574  -2.820  -0.879
   44    H    THR   7           H        THR   7  -6.992   0.442  -4.534
   45    HA   THR   7           HA       THR   7  -5.286   0.847  -6.959
   46    HB   THR   7           HB       THR   7  -7.443   2.629  -5.771
   47    HG1  THR   7           HG1      THR   7  -8.357   0.810  -6.613
   48   1HG2  THR   7          HG21      THR   7  -5.917   2.746  -8.409
   49   2HG2  THR   7          HG22      THR   7  -7.353   3.725  -8.019
   50   3HG2  THR   7          HG23      THR   7  -5.867   3.935  -7.089
   51    H    LEU   8           H        LEU   8  -3.390   1.959  -6.712
   52    HA   LEU   8           HA       LEU   8  -2.866   3.302  -4.080
   53   1HB   LEU   8          HB2       LEU   8  -0.879   1.858  -5.862
   54   2HB   LEU   8          HB3       LEU   8  -0.563   2.621  -4.307
   55    HG   LEU   8           HG       LEU   8  -2.089   0.079  -4.915
   56   1HD1  LEU   8          HD11      LEU   8  -0.411  -0.810  -3.225
   57   2HD1  LEU   8          HD12      LEU   8   0.329  -0.085  -4.644
   58   3HD1  LEU   8          HD13      LEU   8   0.292   0.815  -3.121
   59   1HD2  LEU   8          HD21      LEU   8  -3.385   1.274  -3.157
   60   2HD2  LEU   8          HD22      LEU   8  -2.535  -0.087  -2.434
   61   3HD2  LEU   8          HD23      LEU   8  -1.909   1.570  -2.232
   62    H    LYS   9           H        LYS   9  -2.405   5.345  -4.132
   63    HA   LYS   9           HA       LYS   9  -1.262   6.681  -6.564
   64   1HB   LYS   9          HB2       LYS   9  -2.555   7.795  -4.023
   65   2HB   LYS   9          HB3       LYS   9  -1.785   8.784  -5.273
   66   1HG   LYS   9          HG2       LYS   9  -3.341   7.787  -6.943
   67   2HG   LYS   9          HG3       LYS   9  -4.235   7.010  -5.611
   68   1HD   LYS   9          HD2       LYS   9  -4.716   9.239  -4.666
   69   2HD   LYS   9          HD3       LYS   9  -3.785  10.024  -5.947
   70   1HE   LYS   9          HE2       LYS   9  -6.217   8.243  -6.433
   71   2HE   LYS   9          HE3       LYS   9  -6.298  10.000  -6.299
   72   1HZ   LYS   9          HZ1       LYS   9  -4.695   8.568  -8.369
   73   2HZ   LYS   9          HZ2       LYS   9  -6.147   9.278  -8.624
   74   3HZ   LYS   9          HZ3       LYS   9  -4.852  10.186  -8.230
   75    H    THR  10           H        THR  10   0.535   8.186  -6.167
   76    HA   THR  10           HA       THR  10   2.192   7.557  -3.749
   77    HB   THR  10           HB       THR  10   4.097   7.050  -4.923
   78    HG1  THR  10           HG1      THR  10   4.302   7.420  -7.172
   79   1HG2  THR  10          HG21      THR  10   3.715   5.331  -6.554
   80   2HG2  THR  10          HG22      THR  10   2.412   5.201  -5.366
   81   3HG2  THR  10          HG23      THR  10   2.096   5.954  -6.939
   82    H    LEU  11           H        LEU  11   3.962   9.032  -3.383
   83    HA   LEU  11           HA       LEU  11   3.450  11.811  -3.751
   84   1HB   LEU  11          HB2       LEU  11   5.450  12.171  -2.605
   85   2HB   LEU  11          HB3       LEU  11   4.739  10.738  -1.888
   86    HG   LEU  11           HG       LEU  11   7.088  10.799  -3.846
   87   1HD1  LEU  11          HD11      LEU  11   7.602  11.699  -1.612
   88   2HD1  LEU  11          HD12      LEU  11   6.980  10.213  -0.866
   89   3HD1  LEU  11          HD13      LEU  11   8.427  10.161  -1.901
   90   1HD2  LEU  11          HD21      LEU  11   7.429   8.417  -3.186
   91   2HD2  LEU  11          HD22      LEU  11   5.865   8.442  -2.345
   92   3HD2  LEU  11          HD23      LEU  11   5.958   8.654  -4.117
   93    H    GLN  12           H        GLN  12   4.211   9.807  -6.223
   94    HA   GLN  12           HA       GLN  12   5.737  11.860  -7.755
   95   1HB   GLN  12          HB2       GLN  12   5.869   8.836  -8.039
   96   2HB   GLN  12          HB3       GLN  12   6.723  10.004  -9.041
   97   1HG   GLN  12          HG2       GLN  12   7.168   9.566  -6.062
   98   2HG   GLN  12          HG3       GLN  12   8.188   8.968  -7.355
   99   1HE2  GLN  12          HE21      GLN  12   9.187  10.611  -5.238
  100   2HE2  GLN  12          HE22      GLN  12   9.689  12.129  -5.968
  101    H    GLN  13           H        GLN  13   2.904  11.768  -7.431
  102    HA   GLN  13           HA       GLN  13   1.057  12.240  -8.657
  103   1HB   GLN  13          HB2       GLN  13   3.181  13.051 -10.672
  104   2HB   GLN  13          HB3       GLN  13   1.515  13.638 -10.624
  105   1HG   GLN  13          HG2       GLN  13   1.900  14.648  -8.404
  106   2HG   GLN  13          HG3       GLN  13   3.574  14.081  -8.418
  107   1HE2  GLN  13          HE21      GLN  13   5.086  15.021 -10.007
  108   2HE2  GLN  13          HE22      GLN  13   4.706  16.588 -10.710
  109    H    GLN  14           H        GLN  14   1.335   9.521  -8.799
  110    HA   GLN  14           HA       GLN  14   0.181   8.837 -11.427
  111   1HB   GLN  14          HB2       GLN  14   1.652   6.886 -11.676
  112   2HB   GLN  14          HB3       GLN  14   2.563   8.393 -11.690
  113   1HG   GLN  14          HG2       GLN  14   3.031   7.965  -9.185
  114   2HG   GLN  14          HG3       GLN  14   2.385   6.344  -9.441
  115   1HE2  GLN  14          HE21      GLN  14   4.891   8.666 -10.570
  116   2HE2  GLN  14          HE22      GLN  14   6.038   7.409 -11.046
  117    H    THR  15           H        THR  15  -0.872   6.686 -11.386
  118    HA   THR  15           HA       THR  15  -1.484   5.636  -8.700
  119    HB   THR  15           HB       THR  15  -3.774   5.936 -10.639
  120    HG1  THR  15           HG1      THR  15  -3.035   8.034 -10.260
  121   1HG2  THR  15          HG21      THR  15  -4.121   4.454  -8.736
  122   2HG2  THR  15          HG22      THR  15  -3.560   5.700  -7.620
  123   3HG2  THR  15          HG23      THR  15  -5.079   5.935  -8.506
  124    H    PHE  16           H        PHE  16  -1.882   3.401  -8.634
  125    HA   PHE  16           HA       PHE  16  -2.105   1.880 -11.165
  126   1HB   PHE  16          HB2       PHE  16  -0.276   0.402 -10.629
  127   2HB   PHE  16          HB3       PHE  16   0.282   2.045 -10.786
  128    HD1  PHE  16           HD1      PHE  16  -0.051  -0.841  -8.447
  129    HD2  PHE  16           HD2      PHE  16   0.991   3.358  -8.795
  130    HE1  PHE  16           HE1      PHE  16   1.360  -1.011  -6.468
  131    HE2  PHE  16           HE2      PHE  16   2.303   3.178  -6.695
  132    HZ   PHE  16           HZ       PHE  16   2.531   0.991  -5.554
  133    H    LYS  17           H        LYS  17  -2.100  -0.574 -10.500
  134    HA   LYS  17           HA       LYS  17  -4.216  -1.055  -8.458
  135   1HB   LYS  17          HB2       LYS  17  -4.123  -2.102 -11.341
  136   2HB   LYS  17          HB3       LYS  17  -5.374  -2.452 -10.162
  137   1HG   LYS  17          HG2       LYS  17  -4.829   0.314 -11.352
  138   2HG   LYS  17          HG3       LYS  17  -6.003  -0.851 -11.967
  139   1HD   LYS  17          HD2       LYS  17  -7.179  -0.833  -9.779
  140   2HD   LYS  17          HD3       LYS  17  -6.039   0.410  -9.204
  141   1HE   LYS  17          HE2       LYS  17  -6.794   1.997 -10.847
  142   2HE   LYS  17          HE3       LYS  17  -7.646   0.756 -11.773
  143   1HZ   LYS  17          HZ1       LYS  17  -9.144   2.146 -10.391
  144   2HZ   LYS  17          HZ2       LYS  17  -9.257   0.557 -10.017
  145   3HZ   LYS  17          HZ3       LYS  17  -8.431   1.554  -9.030
  146    H    ILE  18           H        ILE  18  -3.684  -2.744  -7.212
  147    HA   ILE  18           HA       ILE  18  -2.099  -5.012  -8.280
  148    HB   ILE  18           HB       ILE  18  -0.970  -4.907  -5.920
  149   1HG1  ILE  18          HG12      ILE  18  -0.175  -2.724  -5.211
  150   2HG1  ILE  18          HG13      ILE  18  -1.267  -1.922  -6.342
  151   1HG2  ILE  18          HG21      ILE  18   0.208  -4.925  -8.102
  152   2HG2  ILE  18          HG22      ILE  18  -0.047  -3.181  -8.263
  153   3HG2  ILE  18          HG23      ILE  18   1.004  -3.798  -6.989
  154   1HD1  ILE  18          HD11      ILE  18  -2.146  -3.784  -4.088
  155   2HD1  ILE  18          HD12      ILE  18  -2.145  -2.012  -4.011
  156   3HD1  ILE  18          HD13      ILE  18  -3.195  -2.821  -5.158
  157    H    ASP  19           H        ASP  19  -2.073  -6.884  -6.701
  158    HA   ASP  19           HA       ASP  19  -4.465  -6.996  -4.991
  159   1HB   ASP  19          HB2       ASP  19  -5.342  -8.965  -5.984
  160   2HB   ASP  19          HB3       ASP  19  -5.211  -7.726  -7.224
  161    H    ILE  20           H        ILE  20  -4.317  -8.257  -3.265
  162    HA   ILE  20           HA       ILE  20  -2.141 -10.187  -2.843
  163    HB   ILE  20           HB       ILE  20  -1.289  -9.228  -0.861
  164   1HG1  ILE  20          HG12      ILE  20  -3.083  -8.184   0.243
  165   2HG1  ILE  20          HG13      ILE  20  -1.827  -6.995   0.013
  166   1HG2  ILE  20          HG21      ILE  20  -1.228  -7.002  -2.929
  167   2HG2  ILE  20          HG22      ILE  20  -0.066  -7.291  -1.613
  168   3HG2  ILE  20          HG23      ILE  20  -0.217  -8.460  -2.926
  169   1HD1  ILE  20          HD11      ILE  20  -4.484  -7.174  -1.456
  170   2HD1  ILE  20          HD12      ILE  20  -3.937  -5.915  -0.362
  171   3HD1  ILE  20          HD13      ILE  20  -3.174  -6.068  -1.953
  172    H    ASP  21           H        ASP  21  -2.452 -11.255  -0.574
  173    HA   ASP  21           HA       ASP  21  -5.201 -12.060  -0.186
  174   1HB   ASP  21          HB2       ASP  21  -3.236 -13.475   0.235
  175   2HB   ASP  21          HB3       ASP  21  -2.759 -12.432   1.563
  176    HA   PRO  22           HA       PRO  22  -6.140  -8.311   2.182
  177   1HB   PRO  22          HB2       PRO  22  -8.753  -8.807   2.878
  178   2HB   PRO  22          HB3       PRO  22  -8.227  -8.325   1.241
  179   1HG   PRO  22          HG2       PRO  22  -8.730 -11.128   2.290
  180   2HG   PRO  22          HG3       PRO  22  -9.363 -10.388   0.784
  181   1HD   PRO  22          HD2       PRO  22  -7.181 -11.985   0.749
  182   2HD   PRO  22          HD3       PRO  22  -7.244 -10.511  -0.267
  183    H    GLU  23           H        GLU  23  -6.030 -11.493   3.572
  184    HA   GLU  23           HA       GLU  23  -6.358 -10.454   6.339
  185   1HB   GLU  23          HB2       GLU  23  -5.932 -13.293   5.344
  186   2HB   GLU  23          HB3       GLU  23  -6.184 -12.794   7.018
  187   1HG   GLU  23          HG2       GLU  23  -8.400 -11.794   6.336
  188   2HG   GLU  23          HG3       GLU  23  -8.188 -12.516   4.741
  189    H    GLU  24           H        GLU  24  -3.826 -10.509   4.139
  190    HA   GLU  24           HA       GLU  24  -1.695 -10.938   6.173
  191   1HB   GLU  24          HB2       GLU  24  -1.655  -9.944   3.293
  192   2HB   GLU  24          HB3       GLU  24  -0.244  -9.953   4.335
  193   1HG   GLU  24          HG2       GLU  24  -1.858 -12.417   3.588
  194   2HG   GLU  24          HG3       GLU  24  -0.344 -11.923   2.834
  195    H    THR  25           H        THR  25  -0.183  -9.117   6.622
  196    HA   THR  25           HA       THR  25  -1.662  -6.679   7.365
  197    HB   THR  25           HB       THR  25   0.313  -5.999   8.528
  198    HG1  THR  25           HG1      THR  25   2.189  -7.138   8.413
  199   1HG2  THR  25          HG21      THR  25  -1.087  -7.742   9.658
  200   2HG2  THR  25          HG22      THR  25  -0.003  -8.991   9.014
  201   3HG2  THR  25          HG23      THR  25   0.617  -7.775  10.143
  202    H    VAL  26           H        VAL  26  -0.620  -4.565   7.028
  203    HA   VAL  26           HA       VAL  26  -0.276  -3.790   4.323
  204    HB   VAL  26           HB       VAL  26   0.998  -2.470   6.746
  205   1HG1  VAL  26          HG11      VAL  26   0.737  -0.365   5.426
  206   2HG1  VAL  26          HG12      VAL  26   1.891  -1.484   4.708
  207   3HG1  VAL  26          HG13      VAL  26   0.258  -1.339   4.016
  208   1HG2  VAL  26          HG21      VAL  26  -1.712  -1.895   5.481
  209   2HG2  VAL  26          HG22      VAL  26  -1.466  -2.798   6.996
  210   3HG2  VAL  26          HG23      VAL  26  -0.972  -1.122   6.904
  211    H    LYS  27           H        LYS  27   2.173  -5.220   6.443
  212    HA   LYS  27           HA       LYS  27   4.520  -4.532   5.049
  213   1HB   LYS  27          HB2       LYS  27   4.233  -5.733   7.258
  214   2HB   LYS  27          HB3       LYS  27   3.916  -7.217   6.351
  215   1HG   LYS  27          HG2       LYS  27   6.161  -7.127   5.369
  216   2HG   LYS  27          HG3       LYS  27   6.466  -5.552   6.139
  217   1HD   LYS  27          HD2       LYS  27   6.129  -6.612   8.380
  218   2HD   LYS  27          HD3       LYS  27   5.940  -8.186   7.606
  219   1HE   LYS  27          HE2       LYS  27   8.430  -6.425   7.416
  220   2HE   LYS  27          HE3       LYS  27   8.208  -7.719   8.598
  221   1HZ   LYS  27          HZ1       LYS  27   9.442  -8.555   6.733
  222   2HZ   LYS  27          HZ2       LYS  27   7.977  -9.276   6.698
  223   3HZ   LYS  27          HZ3       LYS  27   8.335  -8.064   5.648
  224    H    ALA  28           H        ALA  28   2.166  -7.107   4.237
  225    HA   ALA  28           HA       ALA  28   3.688  -8.212   2.042
  226   1HB   ALA  28          HB1       ALA  28   1.535  -9.304   1.495
  227   2HB   ALA  28          HB2       ALA  28   1.898  -9.429   3.227
  228   3HB   ALA  28          HB3       ALA  28   0.695  -8.252   2.656
  229    H    LEU  29           H        LEU  29   0.990  -5.823   2.141
  230    HA   LEU  29           HA       LEU  29   0.818  -5.297  -0.656
  231   1HB   LEU  29          HB2       LEU  29  -1.021  -4.906   0.829
  232   2HB   LEU  29          HB3       LEU  29  -0.033  -3.956   1.937
  233    HG   LEU  29           HG       LEU  29   0.161  -2.187   0.305
  234   1HD1  LEU  29          HD11      LEU  29  -1.844  -3.850  -1.316
  235   2HD1  LEU  29          HD12      LEU  29  -1.429  -2.161  -1.661
  236   3HD1  LEU  29          HD13      LEU  29  -0.201  -3.420  -1.834
  237   1HD2  LEU  29          HD21      LEU  29  -2.151  -1.342   0.454
  238   2HD2  LEU  29          HD22      LEU  29  -2.708  -2.968   0.903
  239   3HD2  LEU  29          HD23      LEU  29  -1.603  -2.062   1.969
  240    H    LYS  30           H        LYS  30   2.825  -3.942   1.927
  241    HA   LYS  30           HA       LYS  30   3.895  -1.798   0.264
  242   1HB   LYS  30          HB2       LYS  30   3.386  -1.545   2.653
  243   2HB   LYS  30          HB3       LYS  30   4.505  -2.828   3.077
  244   1HG   LYS  30          HG2       LYS  30   5.656  -0.557   1.524
  245   2HG   LYS  30          HG3       LYS  30   5.067  -0.131   3.129
  246   1HD   LYS  30          HD2       LYS  30   6.928  -2.469   2.629
  247   2HD   LYS  30          HD3       LYS  30   7.529  -0.844   2.965
  248   1HE   LYS  30          HE2       LYS  30   5.597  -2.270   4.832
  249   2HE   LYS  30          HE3       LYS  30   7.341  -2.491   4.958
  250   1HZ   LYS  30          HZ1       LYS  30   6.049   0.174   5.126
  251   2HZ   LYS  30          HZ2       LYS  30   6.401  -0.746   6.422
  252   3HZ   LYS  30          HZ3       LYS  30   7.615  -0.186   5.450
  253    H    GLU  31           H        GLU  31   5.172  -4.953   1.340
  254    HA   GLU  31           HA       GLU  31   7.749  -4.603   0.099
  255   1HB   GLU  31          HB2       GLU  31   6.099  -7.033   0.848
  256   2HB   GLU  31          HB3       GLU  31   7.670  -7.174   0.040
  257   1HG   GLU  31          HG2       GLU  31   8.799  -5.983   1.809
  258   2HG   GLU  31          HG3       GLU  31   7.286  -5.638   2.637
  259    H    LYS  32           H        LYS  32   4.653  -5.882  -1.241
  260    HA   LYS  32           HA       LYS  32   5.843  -6.918  -3.573
  261   1HB   LYS  32          HB2       LYS  32   3.663  -7.419  -4.251
  262   2HB   LYS  32          HB3       LYS  32   3.605  -7.426  -2.512
  263   1HG   LYS  32          HG2       LYS  32   1.733  -6.198  -2.837
  264   2HG   LYS  32          HG3       LYS  32   2.886  -4.875  -2.797
  265   1HD   LYS  32          HD2       LYS  32   1.165  -4.686  -4.581
  266   2HD   LYS  32          HD3       LYS  32   2.783  -4.637  -5.232
  267   1HE   LYS  32          HE2       LYS  32   1.494  -7.347  -5.107
  268   2HE   LYS  32          HE3       LYS  32   0.765  -6.191  -6.215
  269   1HZ   LYS  32          HZ1       LYS  32   3.649  -6.892  -6.280
  270   2HZ   LYS  32          HZ2       LYS  32   2.516  -7.472  -7.309
  271   3HZ   LYS  32          HZ3       LYS  32   2.890  -5.880  -7.307
  272    H    ILE  33           H        ILE  33   4.908  -3.555  -3.027
  273    HA   ILE  33           HA       ILE  33   5.044  -2.920  -5.874
  274    HB   ILE  33           HB       ILE  33   4.526  -0.728  -5.379
  275   1HG1  ILE  33          HG12      ILE  33   4.174  -0.114  -2.785
  276   2HG1  ILE  33          HG13      ILE  33   5.553  -1.192  -2.596
  277   1HG2  ILE  33          HG21      ILE  33   2.704  -2.338  -5.153
  278   2HG2  ILE  33          HG22      ILE  33   2.985  -2.432  -3.399
  279   3HG2  ILE  33          HG23      ILE  33   2.459  -0.918  -4.126
  280   1HD1  ILE  33          HD11      ILE  33   6.130   1.244  -2.855
  281   2HD1  ILE  33          HD12      ILE  33   6.887   0.246  -4.109
  282   3HD1  ILE  33          HD13      ILE  33   5.446   1.220  -4.480
  283    H    GLU  34           H        GLU  34   7.394  -2.958  -3.240
  284    HA   GLU  34           HA       GLU  34   9.442  -1.435  -4.589
  285   1HB   GLU  34          HB2       GLU  34   9.485  -2.137  -2.170
  286   2HB   GLU  34          HB3       GLU  34   9.842  -3.786  -2.705
  287   1HG   GLU  34          HG2       GLU  34  11.890  -2.848  -3.904
  288   2HG   GLU  34          HG3       GLU  34  11.531  -1.290  -3.169
  289    H    SER  35           H        SER  35   8.350  -4.840  -4.896
  290    HA   SER  35           HA       SER  35  10.418  -5.742  -6.646
  291   1HB   SER  35          HB2       SER  35   7.503  -6.596  -6.669
  292   2HB   SER  35          HB3       SER  35   8.886  -7.515  -7.271
  293    HG   SER  35           HG       SER  35   9.670  -7.649  -5.130
  294    H    GLU  36           H        GLU  36   7.756  -3.568  -7.286
  295    HA   GLU  36           HA       GLU  36   7.994  -3.884 -10.248
  296   1HB   GLU  36          HB2       GLU  36   5.960  -2.540  -8.440
  297   2HB   GLU  36          HB3       GLU  36   5.948  -2.411 -10.205
  298   1HG   GLU  36          HG2       GLU  36   5.773  -4.870 -10.417
  299   2HG   GLU  36          HG3       GLU  36   5.801  -5.041  -8.661
  300    H    LYS  37           H        LYS  37   8.434  -1.463  -7.688
  301    HA   LYS  37           HA       LYS  37   9.361   0.547  -9.722
  302   1HB   LYS  37          HB2       LYS  37   7.923   0.943  -7.072
  303   2HB   LYS  37          HB3       LYS  37   8.506   2.235  -8.136
  304   1HG   LYS  37          HG2       LYS  37   7.056   1.430  -9.961
  305   2HG   LYS  37          HG3       LYS  37   6.417   0.153  -8.907
  306   1HD   LYS  37          HD2       LYS  37   5.568   1.823  -7.330
  307   2HD   LYS  37          HD3       LYS  37   6.189   3.143  -8.333
  308   1HE   LYS  37          HE2       LYS  37   4.143   1.069  -9.255
  309   2HE   LYS  37          HE3       LYS  37   3.722   2.650  -8.597
  310   1HZ   LYS  37          HZ1       LYS  37   3.769   2.629 -11.041
  311   2HZ   LYS  37          HZ2       LYS  37   4.804   3.727 -10.436
  312   3HZ   LYS  37          HZ3       LYS  37   5.367   2.305 -11.039
  313    H    GLY  38           H        GLY  38  10.534  -1.287  -7.175
  314   1HA   GLY  38          HA2       GLY  38  12.769  -1.637  -6.883
  315   2HA   GLY  38          HA3       GLY  38  13.143  -0.116  -7.669
  316    H    LYS  39           H        LYS  39  14.270  -1.416  -5.321
  317    HA   LYS  39           HA       LYS  39  13.917  -0.156  -2.856
  318   1HB   LYS  39          HB2       LYS  39  15.411  -2.087  -3.446
  319   2HB   LYS  39          HB3       LYS  39  16.444  -1.002  -4.361
  320   1HG   LYS  39          HG2       LYS  39  17.526  -1.458  -2.296
  321   2HG   LYS  39          HG3       LYS  39  17.023   0.221  -2.278
  322   1HD   LYS  39          HD2       LYS  39  16.558  -0.689  -0.096
  323   2HD   LYS  39          HD3       LYS  39  15.021  -0.431  -0.915
  324   1HE   LYS  39          HE2       LYS  39  14.852  -2.525   0.190
  325   2HE   LYS  39          HE3       LYS  39  14.961  -2.856  -1.533
  326   1HZ   LYS  39          HZ1       LYS  39  17.323  -3.408  -1.207
  327   2HZ   LYS  39          HZ2       LYS  39  17.224  -3.069   0.391
  328   3HZ   LYS  39          HZ3       LYS  39  16.397  -4.327  -0.234
  329    H    ASP  40           H        ASP  40  15.374   1.112  -5.771
  330    HA   ASP  40           HA       ASP  40  16.769   3.350  -4.616
  331   1HB   ASP  40          HB2       ASP  40  17.109   4.011  -6.932
  332   2HB   ASP  40          HB3       ASP  40  17.436   2.297  -6.705
  333    H    ALA  41           H        ALA  41  13.423   2.945  -5.300
  334    HA   ALA  41           HA       ALA  41  12.963   5.895  -4.987
  335   1HB   ALA  41          HB1       ALA  41  12.708   5.245  -7.340
  336   2HB   ALA  41          HB2       ALA  41  11.533   3.991  -6.881
  337   3HB   ALA  41          HB3       ALA  41  11.146   5.707  -6.635
  338    H    PHE  42           H        PHE  42  11.804   2.641  -4.178
  339    HA   PHE  42           HA       PHE  42   9.994   3.835  -2.126
  340   1HB   PHE  42          HB2       PHE  42   9.275   1.638  -4.095
  341   2HB   PHE  42          HB3       PHE  42   8.317   2.113  -2.700
  342    HD1  PHE  42           HD1      PHE  42   7.076   4.231  -2.617
  343    HD2  PHE  42           HD2      PHE  42   9.365   3.091  -6.088
  344    HE1  PHE  42           HE1      PHE  42   5.956   6.003  -3.943
  345    HE2  PHE  42           HE2      PHE  42   8.227   4.857  -7.419
  346    HZ   PHE  42           HZ       PHE  42   6.525   6.320  -6.346
  347    HA   PRO  43           HA       PRO  43  12.931   0.477  -0.594
  348   1HB   PRO  43          HB2       PRO  43  14.049   1.828   1.518
  349   2HB   PRO  43          HB3       PRO  43  14.674   1.878  -0.155
  350   1HG   PRO  43          HG2       PRO  43  12.831   3.846   1.202
  351   2HG   PRO  43          HG3       PRO  43  14.304   4.186   0.226
  352   1HD   PRO  43          HD2       PRO  43  11.823   4.375  -0.839
  353   2HD   PRO  43          HD3       PRO  43  13.189   3.716  -1.787
  354    H    VAL  44           H        VAL  44  11.871  -1.040   0.553
  355    HA   VAL  44           HA       VAL  44   9.531  -0.738   2.012
  356    HB   VAL  44           HB       VAL  44  11.657  -2.872   2.003
  357   1HG1  VAL  44          HG11      VAL  44  10.097  -4.403   3.183
  358   2HG1  VAL  44          HG12      VAL  44  10.723  -3.144   4.245
  359   3HG1  VAL  44          HG13      VAL  44   9.070  -3.020   3.606
  360   1HG2  VAL  44          HG21      VAL  44  10.098  -2.474   0.059
  361   2HG2  VAL  44          HG22      VAL  44   9.948  -4.084   0.768
  362   3HG2  VAL  44          HG23      VAL  44   8.735  -2.824   1.121
  363    H    ALA  45           H        ALA  45  12.790  -0.656   3.419
  364    HA   ALA  45           HA       ALA  45  11.997  -0.488   6.166
  365   1HB   ALA  45          HB1       ALA  45  14.510   0.479   4.737
  366   2HB   ALA  45          HB2       ALA  45  14.346   0.191   6.484
  367   3HB   ALA  45          HB3       ALA  45  14.236  -1.173   5.353
  368    H    GLY  46           H        GLY  46  11.662   1.864   3.708
  369   1HA   GLY  46          HA2       GLY  46  11.386   4.125   5.635
  370   2HA   GLY  46          HA3       GLY  46  12.453   4.252   4.229
  371    H    GLN  47           H        GLN  47   9.409   2.490   4.016
  372    HA   GLN  47           HA       GLN  47   8.076   4.918   2.921
  373   1HB   GLN  47          HB2       GLN  47   7.033   3.771   1.138
  374   2HB   GLN  47          HB3       GLN  47   8.773   3.544   0.998
  375   1HG   GLN  47          HG2       GLN  47   8.641   1.263   1.630
  376   2HG   GLN  47          HG3       GLN  47   7.039   1.440   2.329
  377   1HE2  GLN  47          HE21      GLN  47   8.646   0.331  -0.496
  378   2HE2  GLN  47          HE22      GLN  47   7.164   0.195  -1.417
  379    H    LYS  48           H        LYS  48   5.833   4.947   2.913
  380    HA   LYS  48           HA       LYS  48   4.503   3.641   5.265
  381   1HB   LYS  48          HB2       LYS  48   4.772   6.624   4.671
  382   2HB   LYS  48          HB3       LYS  48   3.863   5.906   6.011
  383   1HG   LYS  48          HG2       LYS  48   6.027   4.937   6.873
  384   2HG   LYS  48          HG3       LYS  48   6.882   5.831   5.593
  385   1HD   LYS  48          HD2       LYS  48   5.913   7.958   6.457
  386   2HD   LYS  48          HD3       LYS  48   5.179   7.068   7.799
  387   1HE   LYS  48          HE2       LYS  48   8.174   7.184   7.185
  388   2HE   LYS  48          HE3       LYS  48   7.353   8.240   8.337
  389   1HZ   LYS  48          HZ1       LYS  48   6.727   6.260   9.618
  390   2HZ   LYS  48          HZ2       LYS  48   7.521   5.282   8.574
  391   3HZ   LYS  48          HZ3       LYS  48   8.346   6.360   9.476
  392    H    LEU  49           H        LEU  49   2.151   4.100   5.311
  393    HA   LEU  49           HA       LEU  49   0.933   4.794   2.694
  394   1HB   LEU  49          HB2       LEU  49   0.469   2.151   4.145
  395   2HB   LEU  49          HB3       LEU  49  -0.560   2.817   2.886
  396    HG   LEU  49           HG       LEU  49   1.675   2.912   1.476
  397   1HD1  LEU  49          HD11      LEU  49   3.093   0.949   1.835
  398   2HD1  LEU  49          HD12      LEU  49   3.177   1.974   3.265
  399   3HD1  LEU  49          HD13      LEU  49   2.178   0.518   3.297
  400   1HD2  LEU  49          HD21      LEU  49   0.080   0.365   1.982
  401   2HD2  LEU  49          HD22      LEU  49  -0.341   1.668   0.849
  402   3HD2  LEU  49          HD23      LEU  49   1.095   0.683   0.557
  403    H    ILE  50           H        ILE  50  -1.110   5.466   2.691
  404    HA   ILE  50           HA       ILE  50  -2.587   5.936   5.245
  405    HB   ILE  50           HB       ILE  50  -1.788   7.911   3.073
  406   1HG1  ILE  50          HG12      ILE  50  -0.221   7.744   4.973
  407   2HG1  ILE  50          HG13      ILE  50  -0.977   9.322   4.846
  408   1HG2  ILE  50          HG21      ILE  50  -3.265   9.598   4.272
  409   2HG2  ILE  50          HG22      ILE  50  -4.098   8.405   3.285
  410   3HG2  ILE  50          HG23      ILE  50  -4.056   8.214   5.062
  411   1HD1  ILE  50          HD11      ILE  50  -0.883   8.694   7.180
  412   2HD1  ILE  50          HD12      ILE  50  -2.593   8.660   6.689
  413   3HD1  ILE  50          HD13      ILE  50  -1.676   7.149   6.842
  414    H    TYR  51           H        TYR  51  -4.727   5.451   5.120
  415    HA   TYR  51           HA       TYR  51  -5.943   5.122   2.401
  416   1HB   TYR  51          HB2       TYR  51  -6.022   3.103   3.758
  417   2HB   TYR  51          HB3       TYR  51  -6.872   3.977   5.029
  418    HD1  TYR  51           HD1      TYR  51  -8.804   2.599   5.119
  419    HD2  TYR  51           HD2      TYR  51  -7.560   4.223   1.313
  420    HE1  TYR  51           HE1      TYR  51 -11.001   1.986   4.126
  421    HE2  TYR  51           HE2      TYR  51  -9.738   3.613   0.337
  422    HH   TYR  51           HH       TYR  51 -11.804   2.654   0.706
  423    H    ALA  52           H        ALA  52  -6.041   7.361   2.150
  424    HA   ALA  52           HA       ALA  52  -6.979   9.404   2.104
  425   1HB   ALA  52          HB1       ALA  52  -9.513   7.837   2.703
  426   2HB   ALA  52          HB2       ALA  52  -9.402   9.403   1.870
  427   3HB   ALA  52          HB3       ALA  52  -8.715   7.953   1.118
  428    H    GLY  53           H        GLY  53  -5.921   8.742   4.744
  429   1HA   GLY  53          HA2       GLY  53  -5.859  10.753   6.298
  430   2HA   GLY  53          HA3       GLY  53  -7.580  10.468   6.558
  431    H    LYS  54           H        LYS  54  -6.502   7.430   6.313
  432    HA   LYS  54           HA       LYS  54  -6.263   7.053   9.265
  433   1HB   LYS  54          HB2       LYS  54  -6.740   4.978   7.086
  434   2HB   LYS  54          HB3       LYS  54  -6.956   4.764   8.824
  435   1HG   LYS  54          HG2       LYS  54  -8.857   6.366   8.787
  436   2HG   LYS  54          HG3       LYS  54  -8.604   6.622   7.058
  437   1HD   LYS  54          HD2       LYS  54  -8.889   3.978   6.914
  438   2HD   LYS  54          HD3       LYS  54  -9.680   4.193   8.475
  439   1HE   LYS  54          HE2       LYS  54 -11.436   4.322   6.879
  440   2HE   LYS  54          HE3       LYS  54 -11.126   5.991   7.366
  441   1HZ   LYS  54          HZ1       LYS  54 -11.274   5.929   4.990
  442   2HZ   LYS  54          HZ2       LYS  54  -9.672   6.131   5.301
  443   3HZ   LYS  54          HZ3       LYS  54 -10.240   4.674   4.852
  444    H    ILE  55           H        ILE  55  -4.535   6.027  10.181
  445    HA   ILE  55           HA       ILE  55  -2.080   5.950   8.514
  446    HB   ILE  55           HB       ILE  55  -2.396   6.063  11.534
  447   1HG1  ILE  55          HG12      ILE  55  -1.656   8.284   9.565
  448   2HG1  ILE  55          HG13      ILE  55  -3.233   8.118  10.332
  449   1HG2  ILE  55          HG21      ILE  55   0.072   6.443   9.763
  450   2HG2  ILE  55          HG22      ILE  55   0.025   6.581  11.532
  451   3HG2  ILE  55          HG23      ILE  55  -0.248   5.022  10.779
  452   1HD1  ILE  55          HD11      ILE  55  -0.626   8.732  11.755
  453   2HD1  ILE  55          HD12      ILE  55  -2.029   9.783  11.526
  454   3HD1  ILE  55          HD13      ILE  55  -2.165   8.358  12.575
  455    H    LEU  56           H        LEU  56  -1.752   4.050   7.626
  456    HA   LEU  56           HA       LEU  56  -2.811   1.597   8.769
  457   1HB   LEU  56          HB2       LEU  56  -1.052   1.867   6.315
  458   2HB   LEU  56          HB3       LEU  56  -2.219   0.599   6.712
  459    HG   LEU  56           HG       LEU  56  -2.858   3.442   5.868
  460   1HD1  LEU  56          HD11      LEU  56  -2.192   1.785   4.109
  461   2HD1  LEU  56          HD12      LEU  56  -3.537   0.751   4.615
  462   3HD1  LEU  56          HD13      LEU  56  -3.853   2.365   3.938
  463   1HD2  LEU  56          HD21      LEU  56  -5.234   2.757   5.968
  464   2HD2  LEU  56          HD22      LEU  56  -4.759   1.222   6.709
  465   3HD2  LEU  56          HD23      LEU  56  -4.520   2.758   7.572
  466    H    ASN  57           H        ASN  57  -1.586  -0.385   9.083
  467    HA   ASN  57           HA       ASN  57   1.048   0.129  10.401
  468   1HB   ASN  57          HB2       ASN  57  -0.862   0.247  11.943
  469   2HB   ASN  57          HB3       ASN  57  -1.455  -1.300  11.390
  470   1HD2  ASN  57          HD21      ASN  57  -1.231  -2.536  13.325
  471   2HD2  ASN  57          HD22      ASN  57   0.321  -2.706  14.123
  472    H    ASP  58           H        ASP  58   2.652  -1.243   9.940
  473    HA   ASP  58           HA       ASP  58   2.385  -3.484   8.162
  474   1HB   ASP  58          HB2       ASP  58   4.637  -2.525   9.957
  475   2HB   ASP  58          HB3       ASP  58   4.795  -3.918   8.892
  476    H    ASP  59           H        ASP  59   1.496  -3.407  11.385
  477    HA   ASP  59           HA       ASP  59   1.817  -6.359  11.707
  478   1HB   ASP  59          HB2       ASP  59   3.196  -4.876  13.196
  479   2HB   ASP  59          HB3       ASP  59   1.702  -4.251  13.884
  480    H    THR  60           H        THR  60  -0.537  -4.412  10.691
  481    HA   THR  60           HA       THR  60  -2.674  -6.031  12.014
  482    HB   THR  60           HB       THR  60  -2.778  -3.071  11.435
  483    HG1  THR  60           HG1      THR  60  -3.116  -4.516  13.828
  484   1HG2  THR  60          HG21      THR  60  -5.073  -3.157  12.396
  485   2HG2  THR  60          HG22      THR  60  -4.954  -3.964  10.833
  486   3HG2  THR  60          HG23      THR  60  -5.011  -4.934  12.322
  487    H    ALA  61           H        ALA  61  -4.115  -6.924  10.734
  488    HA   ALA  61           HA       ALA  61  -3.431  -7.359   8.022
  489   1HB   ALA  61          HB1       ALA  61  -4.347  -9.064   9.469
  490   2HB   ALA  61          HB2       ALA  61  -5.880  -8.165   9.597
  491   3HB   ALA  61          HB3       ALA  61  -5.356  -8.844   8.032
  492    H    LEU  62           H        LEU  62  -4.406  -6.883   6.106
  493    HA   LEU  62           HA       LEU  62  -5.168  -4.236   5.806
  494   1HB   LEU  62          HB2       LEU  62  -5.346  -6.606   3.939
  495   2HB   LEU  62          HB3       LEU  62  -5.686  -4.966   3.399
  496    HG   LEU  62           HG       LEU  62  -3.060  -5.676   4.784
  497   1HD1  LEU  62          HD11      LEU  62  -2.035  -5.937   2.626
  498   2HD1  LEU  62          HD12      LEU  62  -3.353  -7.103   2.769
  499   3HD1  LEU  62          HD13      LEU  62  -3.587  -5.626   1.804
  500   1HD2  LEU  62          HD21      LEU  62  -3.561  -3.278   4.676
  501   2HD2  LEU  62          HD22      LEU  62  -2.280  -3.675   3.532
  502   3HD2  LEU  62          HD23      LEU  62  -3.932  -3.406   2.947
  503    H    LYS  63           H        LYS  63  -7.402  -7.011   5.804
  504    HA   LYS  63           HA       LYS  63  -9.730  -5.535   5.164
  505   1HB   LYS  63          HB2       LYS  63 -10.984  -7.373   5.738
  506   2HB   LYS  63          HB3       LYS  63  -9.469  -8.014   5.144
  507   1HG   LYS  63          HG2       LYS  63 -10.475  -7.950   8.018
  508   2HG   LYS  63          HG3       LYS  63 -10.208  -9.347   6.971
  509   1HD   LYS  63          HD2       LYS  63  -7.728  -8.705   6.992
  510   2HD   LYS  63          HD3       LYS  63  -8.098  -7.631   8.339
  511   1HE   LYS  63          HE2       LYS  63  -8.786 -10.615   8.250
  512   2HE   LYS  63          HE3       LYS  63  -7.259 -10.014   8.887
  513   1HZ   LYS  63          HZ1       LYS  63  -9.894  -9.229  10.000
  514   2HZ   LYS  63          HZ2       LYS  63  -8.944 -10.401  10.617
  515   3HZ   LYS  63          HZ3       LYS  63  -8.410  -8.867  10.632
  516    H    GLU  64           H        GLU  64  -8.042  -5.397   8.200
  517    HA   GLU  64           HA       GLU  64 -10.389  -4.486   9.725
  518   1HB   GLU  64          HB2       GLU  64  -7.450  -4.774  10.360
  519   2HB   GLU  64          HB3       GLU  64  -8.557  -3.932  11.450
  520   1HG   GLU  64          HG2       GLU  64  -9.941  -5.843  11.755
  521   2HG   GLU  64          HG3       GLU  64  -9.230  -6.690  10.389
  522    H    TYR  65           H        TYR  65  -8.184  -2.954   7.567
  523    HA   TYR  65           HA       TYR  65  -8.946  -0.236   8.503
  524   1HB   TYR  65          HB2       TYR  65  -7.601  -0.907   5.899
  525   2HB   TYR  65          HB3       TYR  65  -7.600   0.624   6.763
  526    HD1  TYR  65           HD1      TYR  65  -5.756  -2.213   5.984
  527    HD2  TYR  65           HD2      TYR  65  -6.485   0.482   9.277
  528    HE1  TYR  65           HE1      TYR  65  -3.687  -3.024   7.120
  529    HE2  TYR  65           HE2      TYR  65  -4.367  -0.239  10.326
  530    HH   TYR  65           HH       TYR  65  -2.305  -2.778   8.905
  531    H    LYS  66           H        LYS  66 -10.480  -2.681   6.819
  532    HA   LYS  66           HA       LYS  66 -12.069  -2.936   5.223
  533   1HB   LYS  66          HB2       LYS  66 -13.107  -0.377   6.485
  534   2HB   LYS  66          HB3       LYS  66 -14.053  -1.508   5.506
  535   1HG   LYS  66          HG2       LYS  66 -13.561  -3.328   7.146
  536   2HG   LYS  66          HG3       LYS  66 -12.743  -2.155   8.187
  537   1HD   LYS  66          HD2       LYS  66 -15.671  -2.027   7.343
  538   2HD   LYS  66          HD3       LYS  66 -15.067  -2.631   8.894
  539   1HE   LYS  66          HE2       LYS  66 -14.067  -0.398   9.372
  540   2HE   LYS  66          HE3       LYS  66 -14.718   0.214   7.845
  541   1HZ   LYS  66          HZ1       LYS  66 -16.957  -0.262   8.684
  542   2HZ   LYS  66          HZ2       LYS  66 -16.357  -0.822  10.097
  543   3HZ   LYS  66          HZ3       LYS  66 -16.182   0.750   9.702
  544    H    ILE  67           H        ILE  67  -9.888  -2.094   3.936
  545    HA   ILE  67           HA       ILE  67 -10.343   0.153   2.149
  546    HB   ILE  67           HB       ILE  67  -8.421  -2.170   2.034
  547   1HG1  ILE  67          HG12      ILE  67  -7.854   0.794   2.496
  548   2HG1  ILE  67          HG13      ILE  67  -8.293  -0.244   3.840
  549   1HG2  ILE  67          HG21      ILE  67  -8.565   0.310   0.231
  550   2HG2  ILE  67          HG22      ILE  67  -7.210  -0.823   0.297
  551   3HG2  ILE  67          HG23      ILE  67  -8.765  -1.384  -0.289
  552   1HD1  ILE  67          HD11      ILE  67  -6.385  -1.728   3.351
  553   2HD1  ILE  67          HD12      ILE  67  -5.881  -0.623   2.048
  554   3HD1  ILE  67          HD13      ILE  67  -5.905  -0.057   3.729
  555    H    ASP  68           H        ASP  68 -10.814  -0.011  -0.139
  556    HA   ASP  68           HA       ASP  68 -12.624  -2.269  -0.883
  557   1HB   ASP  68          HB2       ASP  68 -13.873  -0.418   0.254
  558   2HB   ASP  68          HB3       ASP  68 -13.328   0.685  -1.014
  559    H    GLU  69           H        GLU  69 -12.853  -2.715  -3.014
  560    HA   GLU  69           HA       GLU  69 -10.716  -2.220  -4.791
  561   1HB   GLU  69          HB2       GLU  69 -13.555  -3.144  -5.403
  562   2HB   GLU  69          HB3       GLU  69 -12.161  -3.314  -6.473
  563   1HG   GLU  69          HG2       GLU  69 -11.049  -4.773  -4.799
  564   2HG   GLU  69          HG3       GLU  69 -12.454  -4.627  -3.740
  565    H    LYS  70           H        LYS  70 -13.506  -0.237  -4.224
  566    HA   LYS  70           HA       LYS  70 -13.140   1.287  -6.781
  567   1HB   LYS  70          HB2       LYS  70 -15.488   1.362  -4.850
  568   2HB   LYS  70          HB3       LYS  70 -15.401   2.105  -6.439
  569   1HG   LYS  70          HG2       LYS  70 -15.466  -0.888  -5.866
  570   2HG   LYS  70          HG3       LYS  70 -16.788   0.106  -6.471
  571   1HD   LYS  70          HD2       LYS  70 -15.473   0.607  -8.532
  572   2HD   LYS  70          HD3       LYS  70 -14.178  -0.464  -7.946
  573   1HE   LYS  70          HE2       LYS  70 -15.774  -2.359  -7.865
  574   2HE   LYS  70          HE3       LYS  70 -17.069  -1.301  -8.442
  575   1HZ   LYS  70          HZ1       LYS  70 -16.087  -2.570 -10.264
  576   2HZ   LYS  70          HZ2       LYS  70 -15.802  -0.982 -10.501
  577   3HZ   LYS  70          HZ3       LYS  70 -14.604  -1.959  -9.970
  578    H    ASN  71           H        ASN  71 -11.851   1.450  -3.840
  579    HA   ASN  71           HA       ASN  71 -11.693   4.440  -3.917
  580   1HB   ASN  71          HB2       ASN  71 -12.979   3.275  -1.931
  581   2HB   ASN  71          HB3       ASN  71 -11.361   2.876  -1.353
  582   1HD2  ASN  71          HD21      ASN  71 -13.211   4.522   0.084
  583   2HD2  ASN  71          HD22      ASN  71 -12.533   6.141   0.115
  584    H    PHE  72           H        PHE  72  -9.563   5.097  -2.626
  585    HA   PHE  72           HA       PHE  72  -7.348   3.303  -3.446
  586   1HB   PHE  72          HB2       PHE  72  -6.144   5.123  -4.512
  587   2HB   PHE  72          HB3       PHE  72  -7.669   4.796  -5.299
  588    HD1  PHE  72           HD1      PHE  72  -9.111   6.552  -5.832
  589    HD2  PHE  72           HD2      PHE  72  -6.076   7.154  -2.824
  590    HE1  PHE  72           HE1      PHE  72  -9.613   8.976  -5.807
  591    HE2  PHE  72           HE2      PHE  72  -6.620   9.568  -2.762
  592    HZ   PHE  72           HZ       PHE  72  -8.395  10.491  -4.245
  593    H    VAL  73           H        VAL  73  -5.292   3.873  -2.749
  594    HA   VAL  73           HA       VAL  73  -5.104   4.930   0.051
  595    HB   VAL  73           HB       VAL  73  -4.146   2.347  -1.195
  596   1HG1  VAL  73          HG11      VAL  73  -2.897   1.808   0.847
  597   2HG1  VAL  73          HG12      VAL  73  -2.181   3.196   0.030
  598   3HG1  VAL  73          HG13      VAL  73  -3.187   3.434   1.481
  599   1HG2  VAL  73          HG21      VAL  73  -6.381   2.325  -0.135
  600   2HG2  VAL  73          HG22      VAL  73  -5.224   1.272   0.683
  601   3HG2  VAL  73          HG23      VAL  73  -5.630   2.843   1.393
  602    H    VAL  74           H        VAL  74  -3.016   5.872   0.511
  603    HA   VAL  74           HA       VAL  74  -1.472   6.714  -1.930
  604    HB   VAL  74           HB       VAL  74  -1.873   8.304   0.629
  605   1HG1  VAL  74          HG11      VAL  74  -0.776   9.066  -2.118
  606   2HG1  VAL  74          HG12      VAL  74  -1.030  10.182  -0.759
  607   3HG1  VAL  74          HG13      VAL  74   0.172   8.898  -0.622
  608   1HG2  VAL  74          HG21      VAL  74  -4.053   8.160  -0.477
  609   2HG2  VAL  74          HG22      VAL  74  -3.373   9.772  -0.693
  610   3HG2  VAL  74          HG23      VAL  74  -3.325   8.608  -2.033
  611    H    VAL  75           H        VAL  75   0.667   6.263  -1.945
  612    HA   VAL  75           HA       VAL  75   1.956   5.324   0.570
  613    HB   VAL  75           HB       VAL  75   3.515   4.124  -0.634
  614   1HG1  VAL  75          HG11      VAL  75   2.245   2.548  -1.922
  615   2HG1  VAL  75          HG12      VAL  75   1.151   3.167  -0.673
  616   3HG1  VAL  75          HG13      VAL  75   1.014   3.759  -2.335
  617   1HG2  VAL  75          HG21      VAL  75   4.197   5.649  -2.384
  618   2HG2  VAL  75          HG22      VAL  75   3.752   4.093  -3.090
  619   3HG2  VAL  75          HG23      VAL  75   2.620   5.456  -3.185
  620    H    MET  76           H        MET  76   3.870   6.138   1.303
  621    HA   MET  76           HA       MET  76   4.975   8.650   0.103
  622   1HB   MET  76          HB2       MET  76   4.168   8.252   3.018
  623   2HB   MET  76          HB3       MET  76   4.946   9.686   2.338
  624   1HG   MET  76          HG2       MET  76   2.959  10.073   0.901
  625   2HG   MET  76          HG3       MET  76   2.181   8.650   1.599
  626   1HE   MET  76          HE1       MET  76   0.014   9.829   2.248
  627   2HE   MET  76          HE2       MET  76  -0.061  11.388   3.096
  628   3HE   MET  76          HE3       MET  76   0.633  11.300   1.461
  629    H    VAL  77           H        VAL  77   7.150   9.198   1.055
  630    HA   VAL  77           HA       VAL  77   8.667   6.794   1.982
  631    HB   VAL  77           HB       VAL  77   9.360   8.467  -0.468
  632   1HG1  VAL  77          HG11      VAL  77  10.779   6.044   0.717
  633   2HG1  VAL  77          HG12      VAL  77  11.163   6.810  -0.838
  634   3HG1  VAL  77          HG13      VAL  77  11.409   7.712   0.653
  635   1HG2  VAL  77          HG21      VAL  77   8.449   5.565  -0.280
  636   2HG2  VAL  77          HG22      VAL  77   7.548   6.904  -1.021
  637   3HG2  VAL  77          HG23      VAL  77   9.052   6.360  -1.748
  638    H    THR  78           H        THR  78  10.350   7.205   3.292
  639    HA   THR  78           HA       THR  78  11.368  10.009   3.590
  640    HB   THR  78           HB       THR  78  11.537   9.654   6.016
  641    HG1  THR  78           HG1      THR  78  10.663   7.842   6.943
  642   1HG2  THR  78          HG21      THR  78   8.688   9.039   5.126
  643   2HG2  THR  78          HG22      THR  78   9.214   9.803   6.642
  644   3HG2  THR  78          HG23      THR  78   9.429  10.657   5.105
  645    H    LYS  79           H        LYS  79  12.238   6.858   2.959
  646    HA   LYS  79           HA       LYS  79  14.160   6.486   1.810
  647   1HB   LYS  79          HB2       LYS  79  15.065   8.750   2.205
  648   2HB   LYS  79          HB3       LYS  79  15.778   8.196   3.709
  649   1HG   LYS  79          HG2       LYS  79  17.453   8.269   1.985
  650   2HG   LYS  79          HG3       LYS  79  17.220   6.623   2.531
  651   1HD   LYS  79          HD2       LYS  79  17.533   6.713   0.102
  652   2HD   LYS  79          HD3       LYS  79  15.959   6.065   0.507
  653   1HE   LYS  79          HE2       LYS  79  15.677   7.525  -1.362
  654   2HE   LYS  79          HE3       LYS  79  14.924   8.303   0.031
  655   1HZ   LYS  79          HZ1       LYS  79  17.624   8.949  -1.047
  656   2HZ   LYS  79          HZ2       LYS  79  16.289   9.858  -1.258
  657   3HZ   LYS  79          HZ3       LYS  79  16.931   9.697   0.232
  658    HA   PRO  80           HA       PRO  80  13.595   6.800   5.733
  659   1HB   PRO  80          HB2       PRO  80  14.353   5.810   8.102
  660   2HB   PRO  80          HB3       PRO  80  13.160   4.958   7.082
  661   1HG   PRO  80          HG2       PRO  80  16.138   4.412   7.304
  662   2HG   PRO  80          HG3       PRO  80  14.790   3.239   7.435
  663   1HD   PRO  80          HD2       PRO  80  16.174   3.695   5.101
  664   2HD   PRO  80          HD3       PRO  80  14.453   3.235   5.117
  665    H    LYS  81           H        LYS  81  14.457   8.283   7.434
  666    HA   LYS  81           HA       LYS  81  17.046   9.457   6.796
  667   1HB   LYS  81          HB2       LYS  81  15.063  10.123   9.018
  668   2HB   LYS  81          HB3       LYS  81  16.437  11.110   8.513
  669   1HG   LYS  81          HG2       LYS  81  15.404  11.272   6.205
  670   2HG   LYS  81          HG3       LYS  81  13.982  10.441   6.850
  671   1HD   LYS  81          HD2       LYS  81  13.508  12.775   6.834
  672   2HD   LYS  81          HD3       LYS  81  13.686  12.272   8.522
  673   1HE   LYS  81          HE2       LYS  81  16.003  13.180   8.545
  674   2HE   LYS  81          HE3       LYS  81  15.854  13.622   6.839
  675   1HZ   LYS  81          HZ1       LYS  81  14.194  14.740   9.038
  676   2HZ   LYS  81          HZ2       LYS  81  15.418  15.518   8.291
  677   3HZ   LYS  81          HZ3       LYS  81  14.062  15.154   7.463
  678    H    ALA  82           H        ALA  82  16.879   6.687   8.243
  679    HA   ALA  82           HA       ALA  82  17.985   6.930  10.840
  680   1HB   ALA  82          HB1       ALA  82  16.888   4.905   9.987
  681   2HB   ALA  82          HB2       ALA  82  18.204   4.664   8.811
  682   3HB   ALA  82          HB3       ALA  82  18.529   4.543  10.553
  683    H    VAL  83           H        VAL  83  19.812   7.858  11.384
  684    HA   VAL  83           HA       VAL  83  22.368   7.165  10.050
  685    HB   VAL  83           HB       VAL  83  21.554   9.312   9.106
  686   1HG1  VAL  83          HG11      VAL  83  21.561  11.366  10.411
  687   2HG1  VAL  83          HG12      VAL  83  20.370  10.238  11.072
  688   3HG1  VAL  83          HG13      VAL  83  21.928  10.470  11.899
  689   1HG2  VAL  83          HG21      VAL  83  24.058   9.722  10.775
  690   2HG2  VAL  83          HG22      VAL  83  23.981   8.800   9.251
  691   3HG2  VAL  83          HG23      VAL  83  23.607  10.528   9.267
  692    H    SER  84           H        SER  84  24.233   7.391  11.418
  693    HA   SER  84           HA       SER  84  23.866   6.609  14.141
  694   1HB   SER  84          HB2       SER  84  25.858   6.114  12.704
  695   2HB   SER  84          HB3       SER  84  26.354   7.811  12.869
  696    HG   SER  84           HG       SER  84  27.344   6.409  14.428
  697    H    THR  85           H        THR  85  24.142   7.681  16.074
  698    HA   THR  85           HA       THR  85  24.641  10.546  16.280
  699    HB   THR  85           HB       THR  85  22.297  10.544  15.597
  700    HG1  THR  85           HG1      THR  85  23.007  12.124  17.002
  701   1HG2  THR  85          HG21      THR  85  21.650   9.027  18.157
  702   2HG2  THR  85          HG22      THR  85  20.502   9.722  16.997
  703   3HG2  THR  85          HG23      THR  85  21.529   8.368  16.509
  Start of MODEL    2
    1   1H    GLY   1           H1       GLY   1  -5.240 -17.913   1.438
    2   2H    GLY   1           H2       GLY   1  -6.877 -17.979   1.493
    3   3H    GLY   1           H3       GLY   1  -6.106 -16.524   1.460
    4   1HA   GLY   1          HA2       GLY   1  -5.310 -16.878  -0.754
    5   2HA   GLY   1          HA3       GLY   1  -6.029 -18.498  -0.729
    6    H    SER   2           H        SER   2  -6.996 -15.111  -0.094
    7    HA   SER   2           HA       SER   2  -9.571 -15.471  -1.583
    8   1HB   SER   2          HB2       SER   2  -9.249 -14.361   1.238
    9   2HB   SER   2          HB3       SER   2 -10.763 -14.495   0.322
   10    HG   SER   2           HG       SER   2 -10.510 -16.227   1.793
   11    H    HIS   3           H        HIS   3  -7.373 -14.138  -2.609
   12    HA   HIS   3           HA       HIS   3  -6.722 -11.590  -1.879
   13   1HB   HIS   3          HB2       HIS   3  -6.751 -12.967  -4.560
   14   2HB   HIS   3          HB3       HIS   3  -6.273 -11.284  -4.441
   15    HD1  HIS   3           HD1      HIS   3  -3.781 -11.654  -5.063
   16    HD2  HIS   3           HD2      HIS   3  -5.128 -13.838  -1.717
   17    HE1  HIS   3           HE1      HIS   3  -1.699 -12.600  -3.928
   18    H    MET   4           H        MET   4  -7.104  -9.534  -2.372
   19    HA   MET   4           HA       MET   4  -9.437  -8.758  -4.035
   20   1HB   MET   4          HB2       MET   4 -10.160  -7.088  -2.493
   21   2HB   MET   4          HB3       MET   4 -10.086  -8.605  -1.597
   22   1HG   MET   4          HG2       MET   4  -7.884  -7.894  -0.645
   23   2HG   MET   4          HG3       MET   4  -7.990  -6.385  -1.552
   24   1HE   MET   4          HE1       MET   4  -8.410  -5.069   2.039
   25   2HE   MET   4          HE2       MET   4  -7.311  -6.296   1.365
   26   3HE   MET   4          HE3       MET   4  -7.642  -4.804   0.457
   27    H    GLN   5           H        GLN   5  -9.182  -6.596  -4.949
   28    HA   GLN   5           HA       GLN   5  -6.310  -5.881  -5.253
   29   1HB   GLN   5          HB2       GLN   5  -6.964  -4.686  -7.298
   30   2HB   GLN   5          HB3       GLN   5  -7.269  -6.422  -7.357
   31   1HG   GLN   5          HG2       GLN   5  -9.613  -6.138  -7.106
   32   2HG   GLN   5          HG3       GLN   5  -9.442  -4.447  -6.606
   33   1HE2  GLN   5          HE21      GLN   5  -9.198  -6.646  -9.442
   34   2HE2  GLN   5          HE22      GLN   5  -9.371  -5.345 -10.611
   35    H    VAL   6           H        VAL   6  -5.535  -3.754  -5.193
   36    HA   VAL   6           HA       VAL   6  -7.365  -1.693  -4.005
   37    HB   VAL   6           HB       VAL   6  -4.560  -2.265  -2.968
   38   1HG1  VAL   6          HG11      VAL   6  -5.203   0.107  -2.725
   39   2HG1  VAL   6          HG12      VAL   6  -6.748  -0.365  -1.999
   40   3HG1  VAL   6          HG13      VAL   6  -5.216  -0.686  -1.156
   41   1HG2  VAL   6          HG21      VAL   6  -7.258  -2.849  -1.657
   42   2HG2  VAL   6          HG22      VAL   6  -6.053  -4.053  -2.169
   43   3HG2  VAL   6          HG23      VAL   6  -5.684  -2.950  -0.846
   44    H    THR   7           H        THR   7  -6.921   0.422  -4.597
   45    HA   THR   7           HA       THR   7  -5.051   0.840  -6.879
   46    HB   THR   7           HB       THR   7  -7.242   2.649  -5.822
   47    HG1  THR   7           HG1      THR   7  -8.515   1.271  -6.616
   48   1HG2  THR   7          HG21      THR   7  -7.168   3.584  -8.142
   49   2HG2  THR   7          HG22      THR   7  -5.692   3.869  -7.212
   50   3HG2  THR   7          HG23      THR   7  -5.722   2.602  -8.458
   51    H    LEU   8           H        LEU   8  -3.226   1.970  -6.604
   52    HA   LEU   8           HA       LEU   8  -2.742   3.368  -3.997
   53   1HB   LEU   8          HB2       LEU   8  -0.708   1.902  -5.711
   54   2HB   LEU   8          HB3       LEU   8  -0.467   2.628  -4.129
   55    HG   LEU   8           HG       LEU   8  -1.967   0.098  -4.865
   56   1HD1  LEU   8          HD11      LEU   8   0.450  -0.055  -4.530
   57   2HD1  LEU   8          HD12      LEU   8   0.353   0.771  -2.970
   58   3HD1  LEU   8          HD13      LEU   8  -0.338  -0.850  -3.166
   59   1HD2  LEU   8          HD21      LEU   8  -1.857   1.486  -2.130
   60   2HD2  LEU   8          HD22      LEU   8  -3.306   1.243  -3.114
   61   3HD2  LEU   8          HD23      LEU   8  -2.488  -0.156  -2.422
   62    H    LYS   9           H        LYS   9  -2.359   5.423  -4.166
   63    HA   LYS   9           HA       LYS   9  -1.139   6.647  -6.598
   64   1HB   LYS   9          HB2       LYS   9  -2.627   7.845  -4.199
   65   2HB   LYS   9          HB3       LYS   9  -1.792   8.815  -5.423
   66   1HG   LYS   9          HG2       LYS   9  -3.182   7.747  -7.172
   67   2HG   LYS   9          HG3       LYS   9  -4.148   6.954  -5.896
   68   1HD   LYS   9          HD2       LYS   9  -4.765   9.181  -5.020
   69   2HD   LYS   9          HD3       LYS   9  -3.790   9.974  -6.263
   70   1HE   LYS   9          HE2       LYS   9  -6.125   8.093  -6.838
   71   2HE   LYS   9          HE3       LYS   9  -6.274   9.849  -6.761
   72   1HZ   LYS   9          HZ1       LYS   9  -4.513   8.413  -8.696
   73   2HZ   LYS   9          HZ2       LYS   9  -5.965   9.073  -9.051
   74   3HZ   LYS   9          HZ3       LYS   9  -4.719  10.029  -8.611
   75    H    THR  10           H        THR  10   0.494   8.377  -6.115
   76    HA   THR  10           HA       THR  10   2.221   7.698  -3.756
   77    HB   THR  10           HB       THR  10   4.162   7.634  -5.206
   78    HG1  THR  10           HG1      THR  10   3.774   7.581  -7.501
   79   1HG2  THR  10          HG21      THR  10   2.904   5.485  -4.905
   80   2HG2  THR  10          HG22      THR  10   2.041   5.812  -6.427
   81   3HG2  THR  10          HG23      THR  10   3.794   5.571  -6.433
   82    H    LEU  11           H        LEU  11   3.682   9.300  -3.052
   83    HA   LEU  11           HA       LEU  11   3.163  12.050  -3.546
   84   1HB   LEU  11          HB2       LEU  11   5.038  12.527  -2.274
   85   2HB   LEU  11          HB3       LEU  11   4.382  11.056  -1.582
   86    HG   LEU  11           HG       LEU  11   6.846  11.262  -3.385
   87   1HD1  LEU  11          HD11      LEU  11   8.078  10.730  -1.309
   88   2HD1  LEU  11          HD12      LEU  11   7.175  12.244  -1.173
   89   3HD1  LEU  11          HD13      LEU  11   6.547  10.777  -0.397
   90   1HD2  LEU  11          HD21      LEU  11   5.709   8.840  -1.915
   91   2HD2  LEU  11          HD22      LEU  11   5.895   9.020  -3.673
   92   3HD2  LEU  11          HD23      LEU  11   7.322   8.924  -2.648
   93    H    GLN  12           H        GLN  12   4.938   9.782  -5.437
   94    HA   GLN  12           HA       GLN  12   6.235  11.722  -7.218
   95   1HB   GLN  12          HB2       GLN  12   5.978   8.690  -7.191
   96   2HB   GLN  12          HB3       GLN  12   6.827   9.582  -8.461
   97   1HG   GLN  12          HG2       GLN  12   8.467  10.443  -6.927
   98   2HG   GLN  12          HG3       GLN  12   7.543   9.930  -5.524
   99   1HE2  GLN  12          HE21      GLN  12   8.909   8.495  -4.517
  100   2HE2  GLN  12          HE22      GLN  12   9.509   7.038  -5.272
  101    H    GLN  13           H        GLN  13   3.090  11.072  -6.788
  102    HA   GLN  13           HA       GLN  13   1.233  11.584  -7.893
  103   1HB   GLN  13          HB2       GLN  13   3.197  13.203  -9.531
  104   2HB   GLN  13          HB3       GLN  13   1.446  13.398  -9.627
  105   1HG   GLN  13          HG2       GLN  13   1.271  14.448  -7.613
  106   2HG   GLN  13          HG3       GLN  13   2.510  13.483  -6.840
  107   1HE2  GLN  13          HE21      GLN  13   4.512  14.418  -6.486
  108   2HE2  GLN  13          HE22      GLN  13   5.013  15.930  -7.246
  109    H    GLN  14           H        GLN  14   1.858   9.092  -8.430
  110    HA   GLN  14           HA       GLN  14   0.881   8.673 -11.228
  111   1HB   GLN  14          HB2       GLN  14   2.498   6.672  -9.613
  112   2HB   GLN  14          HB3       GLN  14   2.029   6.565 -11.305
  113   1HG   GLN  14          HG2       GLN  14   4.110   8.399 -10.075
  114   2HG   GLN  14          HG3       GLN  14   4.383   7.023 -11.128
  115   1HE2  GLN  14          HE21      GLN  14   4.548  10.291 -11.192
  116   2HE2  GLN  14          HE22      GLN  14   4.145  10.552 -12.888
  117    H    THR  15           H        THR  15  -0.291   6.457 -11.282
  118    HA   THR  15           HA       THR  15  -1.251   5.525  -8.702
  119    HB   THR  15           HB       THR  15  -3.428   5.673 -10.766
  120    HG1  THR  15           HG1      THR  15  -2.745   7.823 -10.470
  121   1HG2  THR  15          HG21      THR  15  -4.820   5.771  -8.674
  122   2HG2  THR  15          HG22      THR  15  -3.823   4.300  -8.808
  123   3HG2  THR  15          HG23      THR  15  -3.320   5.608  -7.738
  124    H    PHE  16           H        PHE  16  -1.567   3.294  -8.618
  125    HA   PHE  16           HA       PHE  16  -1.867   1.742 -11.114
  126   1HB   PHE  16          HB2       PHE  16  -0.057   0.202 -10.568
  127   2HB   PHE  16          HB3       PHE  16   0.555   1.817 -10.834
  128    HD1  PHE  16           HD1      PHE  16   1.357   3.212  -8.934
  129    HD2  PHE  16           HD2      PHE  16   0.164  -0.917  -8.331
  130    HE1  PHE  16           HE1      PHE  16   2.559   3.167  -6.770
  131    HE2  PHE  16           HE2      PHE  16   1.486  -0.982  -6.284
  132    HZ   PHE  16           HZ       PHE  16   2.656   1.057  -5.446
  133    H    LYS  17           H        LYS  17  -2.223  -0.643 -10.534
  134    HA   LYS  17           HA       LYS  17  -3.741  -0.999  -8.013
  135   1HB   LYS  17          HB2       LYS  17  -4.654  -1.534 -10.867
  136   2HB   LYS  17          HB3       LYS  17  -5.440  -2.245  -9.445
  137   1HG   LYS  17          HG2       LYS  17  -6.039  -0.106  -8.566
  138   2HG   LYS  17          HG3       LYS  17  -5.043   0.758  -9.744
  139   1HD   LYS  17          HD2       LYS  17  -7.271   1.019 -10.440
  140   2HD   LYS  17          HD3       LYS  17  -6.435  -0.072 -11.563
  141   1HE   LYS  17          HE2       LYS  17  -8.597  -1.053 -11.208
  142   2HE   LYS  17          HE3       LYS  17  -7.467  -2.019 -10.262
  143   1HZ   LYS  17          HZ1       LYS  17  -8.158  -0.466  -8.338
  144   2HZ   LYS  17          HZ2       LYS  17  -9.411  -0.028  -9.270
  145   3HZ   LYS  17          HZ3       LYS  17  -9.245  -1.604  -8.837
  146    H    ILE  18           H        ILE  18  -3.533  -2.825  -7.071
  147    HA   ILE  18           HA       ILE  18  -2.140  -5.165  -8.251
  148    HB   ILE  18           HB       ILE  18  -0.924  -5.095  -5.914
  149   1HG1  ILE  18          HG12      ILE  18  -0.037  -2.916  -5.263
  150   2HG1  ILE  18          HG13      ILE  18  -1.135  -2.099  -6.372
  151   1HG2  ILE  18          HG21      ILE  18  -0.044  -3.417  -8.311
  152   2HG2  ILE  18          HG22      ILE  18   1.040  -4.037  -7.063
  153   3HG2  ILE  18          HG23      ILE  18   0.183  -5.164  -8.132
  154   1HD1  ILE  18          HD11      ILE  18  -1.964  -3.862  -4.025
  155   2HD1  ILE  18          HD12      ILE  18  -1.967  -2.084  -4.052
  156   3HD1  ILE  18          HD13      ILE  18  -3.056  -2.969  -5.103
  157    H    ASP  19           H        ASP  19  -2.108  -6.997  -6.427
  158    HA   ASP  19           HA       ASP  19  -4.591  -6.920  -4.846
  159   1HB   ASP  19          HB2       ASP  19  -5.500  -8.917  -5.733
  160   2HB   ASP  19          HB3       ASP  19  -5.229  -7.814  -7.071
  161    H    ILE  20           H        ILE  20  -4.567  -8.078  -3.018
  162    HA   ILE  20           HA       ILE  20  -2.534 -10.101  -2.433
  163    HB   ILE  20           HB       ILE  20  -1.652  -9.167  -0.476
  164   1HG1  ILE  20          HG12      ILE  20  -3.370  -7.989   0.597
  165   2HG1  ILE  20          HG13      ILE  20  -2.040  -6.883   0.355
  166   1HG2  ILE  20          HG21      ILE  20  -1.379  -6.988  -2.577
  167   2HG2  ILE  20          HG22      ILE  20  -0.267  -7.326  -1.228
  168   3HG2  ILE  20          HG23      ILE  20  -0.473  -8.507  -2.515
  169   1HD1  ILE  20          HD11      ILE  20  -4.709  -6.923  -1.090
  170   2HD1  ILE  20          HD12      ILE  20  -4.032  -5.662  -0.054
  171   3HD1  ILE  20          HD13      ILE  20  -3.335  -5.950  -1.660
  172    H    ASP  21           H        ASP  21  -2.998 -11.108  -0.191
  173    HA   ASP  21           HA       ASP  21  -5.804 -11.729  -0.011
  174   1HB   ASP  21          HB2       ASP  21  -3.843 -13.258   0.473
  175   2HB   ASP  21          HB3       ASP  21  -3.682 -12.422   2.015
  176    HA   PRO  22           HA       PRO  22  -7.081  -8.342   2.718
  177   1HB   PRO  22          HB2       PRO  22  -9.130 -10.344   3.635
  178   2HB   PRO  22          HB3       PRO  22  -9.359  -8.642   3.130
  179   1HG   PRO  22          HG2       PRO  22  -9.990 -10.715   1.479
  180   2HG   PRO  22          HG3       PRO  22  -9.254  -9.214   0.849
  181   1HD   PRO  22          HD2       PRO  22  -7.951 -11.867   1.364
  182   2HD   PRO  22          HD3       PRO  22  -7.668 -10.678   0.055
  183    H    GLU  23           H        GLU  23  -6.453 -11.618   3.959
  184    HA   GLU  23           HA       GLU  23  -6.346 -10.747   6.770
  185   1HB   GLU  23          HB2       GLU  23  -5.636 -13.412   5.482
  186   2HB   GLU  23          HB3       GLU  23  -5.777 -13.104   7.202
  187   1HG   GLU  23          HG2       GLU  23  -8.040 -12.995   5.165
  188   2HG   GLU  23          HG3       GLU  23  -7.765 -14.240   6.379
  189    H    GLU  24           H        GLU  24  -4.071 -10.498   4.223
  190    HA   GLU  24           HA       GLU  24  -1.698 -11.056   5.911
  191   1HB   GLU  24          HB2       GLU  24  -2.061  -9.976   3.095
  192   2HB   GLU  24          HB3       GLU  24  -0.503  -9.976   3.913
  193   1HG   GLU  24          HG2       GLU  24  -2.112 -12.533   3.609
  194   2HG   GLU  24          HG3       GLU  24  -1.030 -11.945   2.350
  195    H    THR  25           H        THR  25  -0.181  -9.463   6.539
  196    HA   THR  25           HA       THR  25  -1.369  -6.981   7.530
  197    HB   THR  25           HB       THR  25   0.847  -6.621   8.528
  198    HG1  THR  25           HG1      THR  25   2.335  -8.398   8.337
  199   1HG2  THR  25          HG21      THR  25   0.828  -8.467  10.100
  200   2HG2  THR  25          HG22      THR  25  -0.840  -8.012   9.716
  201   3HG2  THR  25          HG23      THR  25  -0.130  -9.468   8.987
  202    H    VAL  26           H        VAL  26  -0.230  -4.865   7.275
  203    HA   VAL  26           HA       VAL  26  -0.194  -4.102   4.531
  204    HB   VAL  26           HB       VAL  26   0.893  -2.647   6.953
  205   1HG1  VAL  26          HG11      VAL  26   1.836  -1.578   4.961
  206   2HG1  VAL  26          HG12      VAL  26   0.240  -1.570   4.175
  207   3HG1  VAL  26          HG13      VAL  26   0.547  -0.570   5.613
  208   1HG2  VAL  26          HG21      VAL  26  -1.555  -3.236   6.991
  209   2HG2  VAL  26          HG22      VAL  26  -1.234  -1.515   6.985
  210   3HG2  VAL  26          HG23      VAL  26  -1.760  -2.317   5.485
  211    H    LYS  27           H        LYS  27   2.487  -5.229   6.566
  212    HA   LYS  27           HA       LYS  27   4.681  -4.530   4.917
  213   1HB   LYS  27          HB2       LYS  27   4.122  -6.900   6.714
  214   2HB   LYS  27          HB3       LYS  27   5.613  -6.816   5.758
  215   1HG   LYS  27          HG2       LYS  27   6.212  -4.664   6.708
  216   2HG   LYS  27          HG3       LYS  27   4.702  -4.586   7.605
  217   1HD   LYS  27          HD2       LYS  27   6.907  -6.643   8.058
  218   2HD   LYS  27          HD3       LYS  27   6.644  -5.170   8.996
  219   1HE   LYS  27          HE2       LYS  27   4.147  -6.293   9.132
  220   2HE   LYS  27          HE3       LYS  27   5.133  -7.754   9.035
  221   1HZ   LYS  27          HZ1       LYS  27   6.386  -6.900  10.970
  222   2HZ   LYS  27          HZ2       LYS  27   5.452  -5.544  11.001
  223   3HZ   LYS  27          HZ3       LYS  27   4.790  -7.011  11.342
  224    H    ALA  28           H        ALA  28   2.278  -7.119   4.254
  225    HA   ALA  28           HA       ALA  28   3.857  -8.186   2.055
  226   1HB   ALA  28          HB1       ALA  28   0.858  -8.422   2.655
  227   2HB   ALA  28          HB2       ALA  28   1.785  -9.446   1.546
  228   3HB   ALA  28          HB3       ALA  28   2.122  -9.503   3.291
  229    H    LEU  29           H        LEU  29   0.962  -6.014   2.168
  230    HA   LEU  29           HA       LEU  29   0.766  -5.388  -0.575
  231   1HB   LEU  29          HB2       LEU  29  -0.845  -5.116   1.270
  232   2HB   LEU  29          HB3       LEU  29   0.134  -3.858   1.986
  233    HG   LEU  29           HG       LEU  29  -1.935  -3.320   0.737
  234   1HD1  LEU  29          HD11      LEU  29   0.504  -1.740  -0.135
  235   2HD1  LEU  29          HD12      LEU  29  -1.167  -1.157  -0.049
  236   3HD1  LEU  29          HD13      LEU  29  -0.314  -1.610   1.437
  237   1HD2  LEU  29          HD21      LEU  29  -1.487  -4.649  -1.328
  238   2HD2  LEU  29          HD22      LEU  29  -1.951  -2.966  -1.635
  239   3HD2  LEU  29          HD23      LEU  29  -0.253  -3.458  -1.784
  240    H    LYS  30           H        LYS  30   2.805  -4.006   1.975
  241    HA   LYS  30           HA       LYS  30   3.900  -1.946   0.227
  242   1HB   LYS  30          HB2       LYS  30   3.423  -1.598   2.617
  243   2HB   LYS  30          HB3       LYS  30   4.568  -2.848   3.076
  244   1HG   LYS  30          HG2       LYS  30   5.644  -0.650   1.374
  245   2HG   LYS  30          HG3       LYS  30   5.099  -0.145   2.971
  246   1HD   LYS  30          HD2       LYS  30   6.903  -2.552   2.662
  247   2HD   LYS  30          HD3       LYS  30   7.589  -0.933   2.629
  248   1HE   LYS  30          HE2       LYS  30   5.719  -1.660   4.889
  249   2HE   LYS  30          HE3       LYS  30   7.359  -2.313   4.908
  250   1HZ   LYS  30          HZ1       LYS  30   6.784   0.610   4.732
  251   2HZ   LYS  30          HZ2       LYS  30   7.209  -0.187   6.092
  252   3HZ   LYS  30          HZ3       LYS  30   8.258  -0.097   4.850
  253    H    GLU  31           H        GLU  31   5.161  -5.120   1.329
  254    HA   GLU  31           HA       GLU  31   7.708  -4.672   0.076
  255   1HB   GLU  31          HB2       GLU  31   8.290  -6.795   0.605
  256   2HB   GLU  31          HB3       GLU  31   7.085  -6.459   1.842
  257   1HG   GLU  31          HG2       GLU  31   5.418  -7.751   0.541
  258   2HG   GLU  31          HG3       GLU  31   6.646  -8.126  -0.666
  259    H    LYS  32           H        LYS  32   4.650  -6.036  -1.219
  260    HA   LYS  32           HA       LYS  32   5.837  -7.121  -3.544
  261   1HB   LYS  32          HB2       LYS  32   3.652  -7.648  -4.192
  262   2HB   LYS  32          HB3       LYS  32   3.605  -7.623  -2.456
  263   1HG   LYS  32          HG2       LYS  32   1.719  -6.420  -2.814
  264   2HG   LYS  32          HG3       LYS  32   2.874  -5.093  -2.752
  265   1HD   LYS  32          HD2       LYS  32   1.115  -4.962  -4.550
  266   2HD   LYS  32          HD3       LYS  32   2.742  -4.762  -5.145
  267   1HE   LYS  32          HE2       LYS  32   1.682  -7.563  -5.186
  268   2HE   LYS  32          HE3       LYS  32   0.874  -6.423  -6.256
  269   1HZ   LYS  32          HZ1       LYS  32   2.806  -7.549  -7.305
  270   2HZ   LYS  32          HZ2       LYS  32   2.929  -5.923  -7.351
  271   3HZ   LYS  32          HZ3       LYS  32   3.827  -6.767  -6.285
  272    H    ILE  33           H        ILE  33   4.929  -3.762  -3.015
  273    HA   ILE  33           HA       ILE  33   4.986  -3.147  -5.874
  274    HB   ILE  33           HB       ILE  33   4.513  -0.952  -5.393
  275   1HG1  ILE  33          HG12      ILE  33   4.314  -0.263  -2.800
  276   2HG1  ILE  33          HG13      ILE  33   5.685  -1.356  -2.661
  277   1HG2  ILE  33          HG21      ILE  33   2.666  -2.498  -5.036
  278   2HG2  ILE  33          HG22      ILE  33   3.042  -2.572  -3.300
  279   3HG2  ILE  33          HG23      ILE  33   2.513  -1.055  -4.023
  280   1HD1  ILE  33          HD11      ILE  33   6.939   0.025  -4.312
  281   2HD1  ILE  33          HD12      ILE  33   5.490   1.017  -4.592
  282   3HD1  ILE  33          HD13      ILE  33   6.294   1.052  -3.023
  283    H    GLU  34           H        GLU  34   7.383  -3.135  -3.267
  284    HA   GLU  34           HA       GLU  34   9.398  -1.599  -4.617
  285   1HB   GLU  34          HB2       GLU  34   9.434  -2.305  -2.220
  286   2HB   GLU  34          HB3       GLU  34   9.789  -3.960  -2.738
  287   1HG   GLU  34          HG2       GLU  34  11.876  -3.088  -3.873
  288   2HG   GLU  34          HG3       GLU  34  11.500  -1.489  -3.237
  289    H    SER  35           H        SER  35   8.369  -4.994  -4.956
  290    HA   SER  35           HA       SER  35  10.440  -5.911  -6.694
  291   1HB   SER  35          HB2       SER  35   7.517  -6.747  -6.685
  292   2HB   SER  35          HB3       SER  35   8.885  -7.683  -7.302
  293    HG   SER  35           HG       SER  35   9.697  -7.809  -5.171
  294    H    GLU  36           H        GLU  36   7.817  -3.717  -7.354
  295    HA   GLU  36           HA       GLU  36   8.057  -4.023 -10.326
  296   1HB   GLU  36          HB2       GLU  36   6.141  -2.448  -8.569
  297   2HB   GLU  36          HB3       GLU  36   6.117  -2.472 -10.334
  298   1HG   GLU  36          HG2       GLU  36   5.512  -4.810 -10.376
  299   2HG   GLU  36          HG3       GLU  36   5.764  -4.971  -8.632
  300    H    LYS  37           H        LYS  37   8.282  -1.567  -7.727
  301    HA   LYS  37           HA       LYS  37   9.028   0.517  -9.701
  302   1HB   LYS  37          HB2       LYS  37   8.465   0.834  -6.733
  303   2HB   LYS  37          HB3       LYS  37   8.468   2.078  -7.984
  304   1HG   LYS  37          HG2       LYS  37   6.396  -0.094  -7.555
  305   2HG   LYS  37          HG3       LYS  37   6.216   1.641  -7.335
  306   1HD   LYS  37          HD2       LYS  37   6.645   1.917  -9.816
  307   2HD   LYS  37          HD3       LYS  37   6.551   0.158  -9.980
  308   1HE   LYS  37          HE2       LYS  37   4.366   2.031  -8.979
  309   2HE   LYS  37          HE3       LYS  37   4.407   1.233 -10.551
  310   1HZ   LYS  37          HZ1       LYS  37   4.218  -0.204  -7.957
  311   2HZ   LYS  37          HZ2       LYS  37   2.958   0.115  -8.924
  312   3HZ   LYS  37          HZ3       LYS  37   4.101  -0.919  -9.428
  313    H    GLY  38           H        GLY  38  10.666  -1.422  -7.401
  314   1HA   GLY  38          HA2       GLY  38  12.938  -1.614  -7.047
  315   2HA   GLY  38          HA3       GLY  38  13.239  -0.098  -7.886
  316    H    LYS  39           H        LYS  39  14.128  -1.257  -5.233
  317    HA   LYS  39           HA       LYS  39  13.057   0.306  -3.101
  318   1HB   LYS  39          HB2       LYS  39  14.840  -0.512  -1.781
  319   2HB   LYS  39          HB3       LYS  39  14.363  -1.784  -2.886
  320   1HG   LYS  39          HG2       LYS  39  16.624  -2.003  -2.948
  321   2HG   LYS  39          HG3       LYS  39  16.369  -0.982  -4.366
  322   1HD   LYS  39          HD2       LYS  39  17.013   1.014  -3.014
  323   2HD   LYS  39          HD3       LYS  39  17.179  -0.006  -1.578
  324   1HE   LYS  39          HE2       LYS  39  19.072  -1.151  -2.493
  325   2HE   LYS  39          HE3       LYS  39  18.704  -0.619  -4.138
  326   1HZ   LYS  39          HZ1       LYS  39  20.558   0.629  -3.164
  327   2HZ   LYS  39          HZ2       LYS  39  19.318   1.606  -3.584
  328   3HZ   LYS  39          HZ3       LYS  39  19.582   1.235  -1.999
  329    H    ASP  40           H        ASP  40  15.201   1.270  -5.618
  330    HA   ASP  40           HA       ASP  40  16.318   3.584  -4.226
  331   1HB   ASP  40          HB2       ASP  40  16.261   2.816  -7.167
  332   2HB   ASP  40          HB3       ASP  40  17.158   4.181  -6.498
  333    H    ALA  41           H        ALA  41  13.217   3.027  -5.436
  334    HA   ALA  41           HA       ALA  41  12.639   5.966  -5.426
  335   1HB   ALA  41          HB1       ALA  41  10.862   5.520  -7.061
  336   2HB   ALA  41          HB2       ALA  41  12.447   5.038  -7.700
  337   3HB   ALA  41          HB3       ALA  41  11.311   3.803  -7.108
  338    H    PHE  42           H        PHE  42  11.603   2.730  -4.377
  339    HA   PHE  42           HA       PHE  42   9.941   3.996  -2.256
  340   1HB   PHE  42          HB2       PHE  42   9.008   1.756  -4.076
  341   2HB   PHE  42          HB3       PHE  42   8.221   2.257  -2.583
  342    HD1  PHE  42           HD1      PHE  42   8.906   3.215  -6.080
  343    HD2  PHE  42           HD2      PHE  42   6.910   4.310  -2.415
  344    HE1  PHE  42           HE1      PHE  42   7.617   4.952  -7.299
  345    HE2  PHE  42           HE2      PHE  42   5.638   6.055  -3.631
  346    HZ   PHE  42           HZ       PHE  42   6.006   6.387  -6.075
  347    HA   PRO  43           HA       PRO  43  12.953   0.760  -0.722
  348   1HB   PRO  43          HB2       PRO  43  13.891   2.108   1.468
  349   2HB   PRO  43          HB3       PRO  43  14.563   2.293  -0.175
  350   1HG   PRO  43          HG2       PRO  43  12.538   4.035   1.229
  351   2HG   PRO  43          HG3       PRO  43  13.980   4.544   0.287
  352   1HD   PRO  43          HD2       PRO  43  11.465   4.550  -0.766
  353   2HD   PRO  43          HD3       PRO  43  12.891   4.135  -1.760
  354    H    VAL  44           H        VAL  44  12.017  -0.889   0.413
  355    HA   VAL  44           HA       VAL  44   9.624  -0.651   1.905
  356    HB   VAL  44           HB       VAL  44  11.729  -2.791   1.744
  357   1HG1  VAL  44          HG11      VAL  44  10.243  -4.335   3.005
  358   2HG1  VAL  44          HG12      VAL  44  10.959  -3.099   4.041
  359   3HG1  VAL  44          HG13      VAL  44   9.262  -2.951   3.530
  360   1HG2  VAL  44          HG21      VAL  44   9.996  -2.329  -0.053
  361   2HG2  VAL  44          HG22      VAL  44   9.944  -3.973   0.604
  362   3HG2  VAL  44          HG23      VAL  44   8.739  -2.760   1.103
  363    H    ALA  45           H        ALA  45  12.917  -0.407   3.119
  364    HA   ALA  45           HA       ALA  45  12.279  -0.292   5.910
  365   1HB   ALA  45          HB1       ALA  45  14.470  -0.923   4.987
  366   2HB   ALA  45          HB2       ALA  45  14.660   0.706   4.298
  367   3HB   ALA  45          HB3       ALA  45  14.633   0.479   6.064
  368    H    GLY  46           H        GLY  46  11.506   2.044   3.572
  369   1HA   GLY  46          HA2       GLY  46  11.422   4.249   5.612
  370   2HA   GLY  46          HA3       GLY  46  12.162   4.478   4.031
  371    H    GLN  47           H        GLN  47   9.820   2.717   2.861
  372    HA   GLN  47           HA       GLN  47   8.017   4.976   2.456
  373   1HB   GLN  47          HB2       GLN  47   6.876   3.689   0.849
  374   2HB   GLN  47          HB3       GLN  47   8.608   3.462   0.606
  375   1HG   GLN  47          HG2       GLN  47   8.514   1.244   1.605
  376   2HG   GLN  47          HG3       GLN  47   6.842   1.477   2.092
  377   1HE2  GLN  47          HE21      GLN  47   8.812   0.220  -0.463
  378   2HE2  GLN  47          HE22      GLN  47   7.447  -0.051  -1.523
  379    H    LYS  48           H        LYS  48   5.848   5.125   2.847
  380    HA   LYS  48           HA       LYS  48   4.559   3.497   4.995
  381   1HB   LYS  48          HB2       LYS  48   5.874   5.476   5.882
  382   2HB   LYS  48          HB3       LYS  48   4.806   6.538   4.963
  383   1HG   LYS  48          HG2       LYS  48   2.871   5.762   6.299
  384   2HG   LYS  48          HG3       LYS  48   3.914   4.587   7.138
  385   1HD   LYS  48          HD2       LYS  48   5.302   6.505   7.985
  386   2HD   LYS  48          HD3       LYS  48   4.215   7.622   7.156
  387   1HE   LYS  48          HE2       LYS  48   3.539   7.628   9.428
  388   2HE   LYS  48          HE3       LYS  48   2.306   6.728   8.545
  389   1HZ   LYS  48          HZ1       LYS  48   4.522   5.504  10.116
  390   2HZ   LYS  48          HZ2       LYS  48   2.980   5.615  10.622
  391   3HZ   LYS  48          HZ3       LYS  48   3.350   4.663   9.347
  392    H    LEU  49           H        LEU  49   2.172   3.977   5.110
  393    HA   LEU  49           HA       LEU  49   1.029   4.997   2.543
  394   1HB   LEU  49          HB2       LEU  49   0.398   2.301   3.827
  395   2HB   LEU  49          HB3       LEU  49  -0.528   3.083   2.552
  396    HG   LEU  49           HG       LEU  49   1.791   3.131   1.281
  397   1HD1  LEU  49          HD11      LEU  49   2.047   0.627   3.026
  398   2HD1  LEU  49          HD12      LEU  49   3.076   1.051   1.641
  399   3HD1  LEU  49          HD13      LEU  49   3.133   2.022   3.110
  400   1HD2  LEU  49          HD21      LEU  49  -0.214   2.038   0.450
  401   2HD2  LEU  49          HD22      LEU  49   1.148   0.930   0.261
  402   3HD2  LEU  49          HD23      LEU  49  -0.005   0.700   1.598
  403    H    ILE  50           H        ILE  50  -1.070   5.656   2.598
  404    HA   ILE  50           HA       ILE  50  -2.560   5.906   5.182
  405    HB   ILE  50           HB       ILE  50  -1.833   8.060   3.163
  406   1HG1  ILE  50          HG12      ILE  50  -0.325   7.827   5.113
  407   2HG1  ILE  50          HG13      ILE  50  -1.135   9.383   5.038
  408   1HG2  ILE  50          HG21      ILE  50  -3.428   9.593   4.416
  409   2HG2  ILE  50          HG22      ILE  50  -4.175   8.426   3.333
  410   3HG2  ILE  50          HG23      ILE  50  -4.175   8.128   5.094
  411   1HD1  ILE  50          HD11      ILE  50  -2.796   8.551   6.785
  412   2HD1  ILE  50          HD12      ILE  50  -1.809   7.086   6.903
  413   3HD1  ILE  50          HD13      ILE  50  -1.110   8.655   7.334
  414    H    TYR  51           H        TYR  51  -4.690   5.421   5.032
  415    HA   TYR  51           HA       TYR  51  -5.943   5.270   2.307
  416   1HB   TYR  51          HB2       TYR  51  -5.903   3.118   3.411
  417   2HB   TYR  51          HB3       TYR  51  -6.701   3.792   4.827
  418    HD1  TYR  51           HD1      TYR  51  -7.401   4.083   1.103
  419    HD2  TYR  51           HD2      TYR  51  -8.823   2.824   4.977
  420    HE1  TYR  51           HE1      TYR  51  -9.584   3.463   0.106
  421    HE2  TYR  51           HE2      TYR  51 -11.006   2.194   3.973
  422    HH   TYR  51           HH       TYR  51 -12.239   2.055   2.067
  423    H    ALA  52           H        ALA  52  -6.241   7.465   2.225
  424    HA   ALA  52           HA       ALA  52  -7.263   9.462   2.442
  425   1HB   ALA  52          HB1       ALA  52  -9.688   9.296   2.230
  426   2HB   ALA  52          HB2       ALA  52  -8.901   7.984   1.338
  427   3HB   ALA  52          HB3       ALA  52  -9.662   7.654   2.910
  428    H    GLY  53           H        GLY  53  -6.191   8.569   5.068
  429   1HA   GLY  53          HA2       GLY  53  -6.330  10.407   6.857
  430   2HA   GLY  53          HA3       GLY  53  -8.024   9.939   7.003
  431    H    LYS  54           H        LYS  54  -6.691   7.030   6.447
  432    HA   LYS  54           HA       LYS  54  -6.285   6.408   9.349
  433   1HB   LYS  54          HB2       LYS  54  -6.687   4.438   7.058
  434   2HB   LYS  54          HB3       LYS  54  -6.728   4.111   8.791
  435   1HG   LYS  54          HG2       LYS  54  -8.772   5.652   8.907
  436   2HG   LYS  54          HG3       LYS  54  -8.751   5.640   7.130
  437   1HD   LYS  54          HD2       LYS  54  -8.858   3.097   7.245
  438   2HD   LYS  54          HD3       LYS  54  -9.134   3.260   8.989
  439   1HE   LYS  54          HE2       LYS  54 -11.122   4.713   8.501
  440   2HE   LYS  54          HE3       LYS  54 -10.840   4.486   6.771
  441   1HZ   LYS  54          HZ1       LYS  54 -11.523   2.337   8.704
  442   2HZ   LYS  54          HZ2       LYS  54 -12.507   2.934   7.548
  443   3HZ   LYS  54          HZ3       LYS  54 -11.178   2.071   7.125
  444    H    ILE  55           H        ILE  55  -4.446   5.359  10.040
  445    HA   ILE  55           HA       ILE  55  -2.089   5.456   8.209
  446    HB   ILE  55           HB       ILE  55  -2.304   5.366  11.250
  447   1HG1  ILE  55          HG12      ILE  55  -1.009   7.465  11.180
  448   2HG1  ILE  55          HG13      ILE  55  -1.031   7.462   9.424
  449   1HG2  ILE  55          HG21      ILE  55  -0.390   3.974  10.589
  450   2HG2  ILE  55          HG22      ILE  55   0.181   5.239   9.474
  451   3HG2  ILE  55          HG23      ILE  55   0.194   5.500  11.234
  452   1HD1  ILE  55          HD11      ILE  55  -2.619   9.062  10.555
  453   2HD1  ILE  55          HD12      ILE  55  -3.401   7.981   9.402
  454   3HD1  ILE  55          HD13      ILE  55  -3.535   7.666  11.154
  455    H    LEU  56           H        LEU  56  -1.670   3.648   7.211
  456    HA   LEU  56           HA       LEU  56  -2.866   1.114   8.007
  457   1HB   LEU  56          HB2       LEU  56  -0.992   1.777   5.708
  458   2HB   LEU  56          HB3       LEU  56  -1.926   0.299   5.912
  459    HG   LEU  56           HG       LEU  56  -2.982   3.078   5.301
  460   1HD1  LEU  56          HD11      LEU  56  -2.139   1.657   3.432
  461   2HD1  LEU  56          HD12      LEU  56  -3.290   0.392   3.893
  462   3HD1  LEU  56          HD13      LEU  56  -3.876   1.965   3.318
  463   1HD2  LEU  56          HD21      LEU  56  -5.269   1.991   5.298
  464   2HD2  LEU  56          HD22      LEU  56  -4.543   0.600   6.105
  465   3HD2  LEU  56          HD23      LEU  56  -4.586   2.190   6.903
  466    H    ASN  57           H        ASN  57  -2.047   0.366   9.841
  467    HA   ASN  57           HA       ASN  57   0.641   0.561  10.732
  468   1HB   ASN  57          HB2       ASN  57  -1.354   0.362  12.196
  469   2HB   ASN  57          HB3       ASN  57  -1.646  -1.262  11.602
  470   1HD2  ASN  57          HD21      ASN  57  -0.949  -2.796  13.153
  471   2HD2  ASN  57          HD22      ASN  57   0.495  -2.565  14.120
  472    H    ASP  58           H        ASP  58   2.407  -0.703  10.452
  473    HA   ASP  58           HA       ASP  58   2.542  -2.420   8.273
  474   1HB   ASP  58          HB2       ASP  58   4.798  -2.738   8.824
  475   2HB   ASP  58          HB3       ASP  58   4.403  -1.147   9.441
  476    H    ASP  59           H        ASP  59   1.852  -3.324  11.554
  477    HA   ASP  59           HA       ASP  59   2.089  -6.213  10.929
  478   1HB   ASP  59          HB2       ASP  59   3.367  -4.923  12.819
  479   2HB   ASP  59          HB3       ASP  59   1.845  -5.021  13.698
  480    H    THR  60           H        THR  60  -0.412  -4.254  10.594
  481    HA   THR  60           HA       THR  60  -2.396  -6.165  11.792
  482    HB   THR  60           HB       THR  60  -2.691  -3.180  11.443
  483    HG1  THR  60           HG1      THR  60  -3.154  -3.543  13.765
  484   1HG2  THR  60          HG21      THR  60  -4.718  -5.237  12.395
  485   2HG2  THR  60          HG22      THR  60  -4.886  -3.468  12.541
  486   3HG2  THR  60          HG23      THR  60  -4.844  -4.208  10.942
  487    H    ALA  61           H        ALA  61  -4.055  -6.890  10.573
  488    HA   ALA  61           HA       ALA  61  -3.383  -7.348   7.860
  489   1HB   ALA  61          HB1       ALA  61  -4.390  -9.024   9.295
  490   2HB   ALA  61          HB2       ALA  61  -5.867  -8.040   9.453
  491   3HB   ALA  61          HB3       ALA  61  -5.417  -8.738   7.877
  492    H    LEU  62           H        LEU  62  -4.271  -6.802   5.925
  493    HA   LEU  62           HA       LEU  62  -5.146  -4.286   5.359
  494   1HB   LEU  62          HB2       LEU  62  -5.069  -6.956   4.032
  495   2HB   LEU  62          HB3       LEU  62  -6.184  -5.836   3.303
  496    HG   LEU  62           HG       LEU  62  -3.898  -5.925   2.338
  497   1HD1  LEU  62          HD11      LEU  62  -4.804  -3.201   3.381
  498   2HD1  LEU  62          HD12      LEU  62  -3.785  -3.477   1.962
  499   3HD1  LEU  62          HD13      LEU  62  -5.459  -4.031   1.953
  500   1HD2  LEU  62          HD21      LEU  62  -2.093  -4.590   3.296
  501   2HD2  LEU  62          HD22      LEU  62  -3.010  -4.374   4.795
  502   3HD2  LEU  62          HD23      LEU  62  -2.475  -5.993   4.292
  503    H    LYS  63           H        LYS  63  -7.411  -7.025   5.893
  504    HA   LYS  63           HA       LYS  63  -9.726  -5.512   5.185
  505   1HB   LYS  63          HB2       LYS  63 -10.979  -7.305   5.757
  506   2HB   LYS  63          HB3       LYS  63  -9.443  -8.058   5.388
  507   1HG   LYS  63          HG2       LYS  63 -10.646  -7.556   8.139
  508   2HG   LYS  63          HG3       LYS  63 -10.478  -9.099   7.305
  509   1HD   LYS  63          HD2       LYS  63  -8.065  -9.083   7.575
  510   2HD   LYS  63          HD3       LYS  63  -8.090  -7.430   8.198
  511   1HE   LYS  63          HE2       LYS  63  -7.835  -8.925  10.066
  512   2HE   LYS  63          HE3       LYS  63  -9.416  -8.143  10.156
  513   1HZ   LYS  63          HZ1       LYS  63  -9.571 -10.522  10.614
  514   2HZ   LYS  63          HZ2       LYS  63 -10.378 -10.207   9.227
  515   3HZ   LYS  63          HZ3       LYS  63  -8.907 -10.910   9.171
  516    H    GLU  64           H        GLU  64  -7.930  -5.315   8.159
  517    HA   GLU  64           HA       GLU  64 -10.098  -4.591   9.905
  518   1HB   GLU  64          HB2       GLU  64  -7.733  -5.466  10.455
  519   2HB   GLU  64          HB3       GLU  64  -7.161  -3.827  10.140
  520   1HG   GLU  64          HG2       GLU  64  -7.435  -4.127  12.504
  521   2HG   GLU  64          HG3       GLU  64  -8.647  -2.982  11.950
  522    H    TYR  65           H        TYR  65  -8.153  -2.813   7.620
  523    HA   TYR  65           HA       TYR  65  -9.025  -0.150   8.524
  524   1HB   TYR  65          HB2       TYR  65  -7.671  -0.770   5.909
  525   2HB   TYR  65          HB3       TYR  65  -7.641   0.726   6.823
  526    HD1  TYR  65           HD1      TYR  65  -6.517   0.542   9.281
  527    HD2  TYR  65           HD2      TYR  65  -5.905  -2.238   6.030
  528    HE1  TYR  65           HE1      TYR  65  -4.441  -0.289  10.364
  529    HE2  TYR  65           HE2      TYR  65  -3.851  -3.091   7.157
  530    HH   TYR  65           HH       TYR  65  -2.414  -2.817   8.894
  531    H    LYS  66           H        LYS  66 -10.503  -2.588   6.773
  532    HA   LYS  66           HA       LYS  66 -12.092  -2.836   5.186
  533   1HB   LYS  66          HB2       LYS  66 -13.138  -0.263   6.419
  534   2HB   LYS  66          HB3       LYS  66 -14.092  -1.401   5.472
  535   1HG   LYS  66          HG2       LYS  66 -12.707  -2.128   8.096
  536   2HG   LYS  66          HG3       LYS  66 -14.373  -1.564   7.966
  537   1HD   LYS  66          HD2       LYS  66 -15.015  -3.512   6.637
  538   2HD   LYS  66          HD3       LYS  66 -13.338  -4.047   6.530
  539   1HE   LYS  66          HE2       LYS  66 -14.392  -5.403   8.172
  540   2HE   LYS  66          HE3       LYS  66 -13.244  -4.343   8.987
  541   1HZ   LYS  66          HZ1       LYS  66 -16.185  -3.893   8.856
  542   2HZ   LYS  66          HZ2       LYS  66 -15.382  -4.456  10.158
  543   3HZ   LYS  66          HZ3       LYS  66 -15.124  -2.930   9.647
  544    H    ILE  67           H        ILE  67  -9.953  -2.110   3.910
  545    HA   ILE  67           HA       ILE  67 -10.302   0.168   2.141
  546    HB   ILE  67           HB       ILE  67  -8.499  -2.239   1.757
  547   1HG1  ILE  67          HG12      ILE  67  -8.198   0.286   3.400
  548   2HG1  ILE  67          HG13      ILE  67  -7.912  -1.401   3.843
  549   1HG2  ILE  67          HG21      ILE  67  -8.814  -0.895  -0.309
  550   2HG2  ILE  67          HG22      ILE  67  -8.408   0.589   0.590
  551   3HG2  ILE  67          HG23      ILE  67  -7.201  -0.683   0.325
  552   1HD1  ILE  67          HD11      ILE  67  -5.909  -1.371   2.296
  553   2HD1  ILE  67          HD12      ILE  67  -6.150   0.390   2.168
  554   3HD1  ILE  67          HD13      ILE  67  -5.800  -0.340   3.742
  555    H    ASP  68           H        ASP  68 -10.964   0.158  -0.029
  556    HA   ASP  68           HA       ASP  68 -12.748  -2.111  -0.839
  557   1HB   ASP  68          HB2       ASP  68 -14.015  -0.269   0.119
  558   2HB   ASP  68          HB3       ASP  68 -13.211   0.879  -0.949
  559    H    GLU  69           H        GLU  69 -12.889  -2.660  -2.939
  560    HA   GLU  69           HA       GLU  69 -10.517  -2.424  -4.443
  561   1HB   GLU  69          HB2       GLU  69 -13.210  -3.526  -5.332
  562   2HB   GLU  69          HB3       GLU  69 -11.639  -3.865  -6.061
  563   1HG   GLU  69          HG2       GLU  69 -10.933  -4.752  -3.729
  564   2HG   GLU  69          HG3       GLU  69 -12.646  -4.722  -3.325
  565    H    LYS  70           H        LYS  70 -13.121  -0.208  -4.522
  566    HA   LYS  70           HA       LYS  70 -12.006   0.968  -7.042
  567   1HB   LYS  70          HB2       LYS  70 -14.170   1.841  -7.670
  568   2HB   LYS  70          HB3       LYS  70 -14.134   0.095  -7.617
  569   1HG   LYS  70          HG2       LYS  70 -16.258   0.887  -6.812
  570   2HG   LYS  70          HG3       LYS  70 -15.399   0.084  -5.503
  571   1HD   LYS  70          HD2       LYS  70 -14.729   2.319  -4.620
  572   2HD   LYS  70          HD3       LYS  70 -15.620   3.106  -5.936
  573   1HE   LYS  70          HE2       LYS  70 -17.718   2.126  -5.026
  574   2HE   LYS  70          HE3       LYS  70 -16.772   1.266  -3.796
  575   1HZ   LYS  70          HZ1       LYS  70 -17.034   4.211  -4.044
  576   2HZ   LYS  70          HZ2       LYS  70 -17.596   3.285  -2.821
  577   3HZ   LYS  70          HZ3       LYS  70 -15.977   3.489  -3.035
  578    H    ASN  71           H        ASN  71 -11.767   1.364  -3.923
  579    HA   ASN  71           HA       ASN  71 -11.655   4.367  -4.026
  580   1HB   ASN  71          HB2       ASN  71 -11.493   2.389  -1.702
  581   2HB   ASN  71          HB3       ASN  71 -11.188   4.111  -1.555
  582   1HD2  ASN  71          HD21      ASN  71 -12.915   3.335   0.143
  583   2HD2  ASN  71          HD22      ASN  71 -14.548   3.800  -0.329
  584    H    PHE  72           H        PHE  72  -9.529   5.122  -2.754
  585    HA   PHE  72           HA       PHE  72  -7.247   3.396  -3.486
  586   1HB   PHE  72          HB2       PHE  72  -6.058   5.184  -4.613
  587   2HB   PHE  72          HB3       PHE  72  -7.551   4.770  -5.418
  588    HD1  PHE  72           HD1      PHE  72  -8.934   6.458  -6.188
  589    HD2  PHE  72           HD2      PHE  72  -6.165   7.310  -2.987
  590    HE1  PHE  72           HE1      PHE  72  -9.469   8.865  -6.361
  591    HE2  PHE  72           HE2      PHE  72  -6.752   9.711  -3.125
  592    HZ   PHE  72           HZ       PHE  72  -8.410  10.502  -4.803
  593    H    VAL  73           H        VAL  73  -5.227   4.046  -2.823
  594    HA   VAL  73           HA       VAL  73  -5.056   5.086  -0.010
  595    HB   VAL  73           HB       VAL  73  -3.863   2.663  -1.403
  596   1HG1  VAL  73          HG11      VAL  73  -3.198   3.558   1.422
  597   2HG1  VAL  73          HG12      VAL  73  -2.696   2.049   0.650
  598   3HG1  VAL  73          HG13      VAL  73  -2.081   3.580   0.036
  599   1HG2  VAL  73          HG21      VAL  73  -5.539   2.765   1.113
  600   2HG2  VAL  73          HG22      VAL  73  -6.152   2.326  -0.499
  601   3HG2  VAL  73          HG23      VAL  73  -4.936   1.318   0.291
  602    H    VAL  74           H        VAL  74  -3.013   6.136   0.455
  603    HA   VAL  74           HA       VAL  74  -1.459   7.030  -1.961
  604    HB   VAL  74           HB       VAL  74  -1.972   8.578   0.605
  605   1HG1  VAL  74          HG11      VAL  74   0.180   9.181  -0.446
  606   2HG1  VAL  74          HG12      VAL  74  -0.624   9.374  -2.021
  607   3HG1  VAL  74          HG13      VAL  74  -0.996  10.473  -0.676
  608   1HG2  VAL  74          HG21      VAL  74  -4.044   8.464  -0.722
  609   2HG2  VAL  74          HG22      VAL  74  -3.343  10.078  -0.812
  610   3HG2  VAL  74          HG23      VAL  74  -3.159   8.961  -2.180
  611    H    VAL  75           H        VAL  75   0.610   6.490  -2.000
  612    HA   VAL  75           HA       VAL  75   1.982   5.458   0.429
  613    HB   VAL  75           HB       VAL  75   2.947   5.403  -2.434
  614   1HG1  VAL  75          HG11      VAL  75   3.755   3.764  -0.003
  615   2HG1  VAL  75          HG12      VAL  75   4.358   3.525  -1.653
  616   3HG1  VAL  75          HG13      VAL  75   4.730   5.019  -0.799
  617   1HG2  VAL  75          HG21      VAL  75   2.224   3.038  -2.547
  618   2HG2  VAL  75          HG22      VAL  75   1.403   3.221  -0.986
  619   3HG2  VAL  75          HG23      VAL  75   0.849   4.127  -2.402
  620    H    MET  76           H        MET  76   3.738   6.390   1.263
  621    HA   MET  76           HA       MET  76   4.826   8.955   0.166
  622   1HB   MET  76          HB2       MET  76   4.082   8.321   3.053
  623   2HB   MET  76          HB3       MET  76   4.824   9.818   2.471
  624   1HG   MET  76          HG2       MET  76   2.819  10.277   1.089
  625   2HG   MET  76          HG3       MET  76   2.076   8.781   1.663
  626   1HE   MET  76          HE1       MET  76   0.476  11.412   1.746
  627   2HE   MET  76          HE2       MET  76  -0.115   9.861   2.390
  628   3HE   MET  76          HE3       MET  76  -0.227  11.335   3.374
  629    H    VAL  77           H        VAL  77   7.033   9.430   0.983
  630    HA   VAL  77           HA       VAL  77   8.580   7.049   1.900
  631    HB   VAL  77           HB       VAL  77   9.206   8.643  -0.620
  632   1HG1  VAL  77          HG11      VAL  77  11.024   6.958  -0.933
  633   2HG1  VAL  77          HG12      VAL  77  11.295   7.983   0.469
  634   3HG1  VAL  77          HG13      VAL  77  10.691   6.323   0.695
  635   1HG2  VAL  77          HG21      VAL  77   8.380   5.726  -0.285
  636   2HG2  VAL  77          HG22      VAL  77   7.413   7.001  -1.051
  637   3HG2  VAL  77          HG23      VAL  77   8.917   6.478  -1.801
  638    H    THR  78           H        THR  78  10.400   7.467   3.011
  639    HA   THR  78           HA       THR  78  11.704  10.013   3.031
  640    HB   THR  78           HB       THR  78  10.173  10.302   4.956
  641    HG1  THR  78           HG1      THR  78  11.818  10.876   6.345
  642   1HG2  THR  78          HG21      THR  78   9.941   7.932   5.704
  643   2HG2  THR  78          HG22      THR  78  11.640   7.943   6.229
  644   3HG2  THR  78          HG23      THR  78  10.454   9.012   7.007
  645    H    LYS  79           H        LYS  79  13.937   9.638   3.681
  646    HA   LYS  79           HA       LYS  79  14.754   7.128   2.538
  647   1HB   LYS  79          HB2       LYS  79  15.724   9.296   2.118
  648   2HB   LYS  79          HB3       LYS  79  16.375   9.367   3.768
  649   1HG   LYS  79          HG2       LYS  79  17.807   7.395   3.297
  650   2HG   LYS  79          HG3       LYS  79  17.061   7.221   1.695
  651   1HD   LYS  79          HD2       LYS  79  17.939   9.450   1.047
  652   2HD   LYS  79          HD3       LYS  79  18.733   9.593   2.631
  653   1HE   LYS  79          HE2       LYS  79  20.079   7.574   2.155
  654   2HE   LYS  79          HE3       LYS  79  19.233   7.349   0.620
  655   1HZ   LYS  79          HZ1       LYS  79  20.936   9.699   1.270
  656   2HZ   LYS  79          HZ2       LYS  79  21.370   8.461   0.297
  657   3HZ   LYS  79          HZ3       LYS  79  20.160   9.459  -0.147
  658    HA   PRO  80           HA       PRO  80  14.952   4.534   6.114
  659   1HB   PRO  80          HB2       PRO  80  17.443   3.419   4.805
  660   2HB   PRO  80          HB3       PRO  80  16.093   2.533   5.584
  661   1HG   PRO  80          HG2       PRO  80  16.150   2.775   2.899
  662   2HG   PRO  80          HG3       PRO  80  14.612   3.065   3.774
  663   1HD   PRO  80          HD2       PRO  80  16.557   5.093   2.682
  664   2HD   PRO  80          HD3       PRO  80  14.767   5.075   2.638
  665    H    LYS  81           H        LYS  81  17.714   6.519   5.466
  666    HA   LYS  81           HA       LYS  81  19.259   6.055   7.862
  667   1HB   LYS  81          HB2       LYS  81  18.997   8.541   6.113
  668   2HB   LYS  81          HB3       LYS  81  20.187   8.314   7.401
  669   1HG   LYS  81          HG2       LYS  81  21.068   6.288   6.187
  670   2HG   LYS  81          HG3       LYS  81  19.943   6.629   4.869
  671   1HD   LYS  81          HD2       LYS  81  22.085   7.481   4.239
  672   2HD   LYS  81          HD3       LYS  81  21.034   8.870   4.559
  673   1HE   LYS  81          HE2       LYS  81  22.063   9.129   6.809
  674   2HE   LYS  81          HE3       LYS  81  23.059   7.696   6.526
  675   1HZ   LYS  81          HZ1       LYS  81  24.132   8.887   4.688
  676   2HZ   LYS  81          HZ2       LYS  81  23.210  10.213   4.949
  677   3HZ   LYS  81          HZ3       LYS  81  24.291   9.734   6.071
  678    H    ALA  82           H        ALA  82  16.210   7.687   7.423
  679    HA   ALA  82           HA       ALA  82  16.256   9.269   9.844
  680   1HB   ALA  82          HB1       ALA  82  13.946   8.177   8.178
  681   2HB   ALA  82          HB2       ALA  82  13.826   9.417   9.443
  682   3HB   ALA  82          HB3       ALA  82  14.747   9.748   7.965
  683    H    VAL  83           H        VAL  83  16.684   8.272  11.726
  684    HA   VAL  83           HA       VAL  83  15.072   5.894  12.577
  685    HB   VAL  83           HB       VAL  83  17.049   5.023  13.743
  686   1HG1  VAL  83          HG11      VAL  83  18.223   4.135  11.835
  687   2HG1  VAL  83          HG12      VAL  83  16.490   4.223  11.474
  688   3HG1  VAL  83          HG13      VAL  83  17.604   5.422  10.785
  689   1HG2  VAL  83          HG21      VAL  83  18.335   7.131  14.034
  690   2HG2  VAL  83          HG22      VAL  83  19.295   5.848  13.286
  691   3HG2  VAL  83          HG23      VAL  83  18.659   7.166  12.287
  692    H    SER  84           H        SER  84  15.253   9.014  13.215
  693    HA   SER  84           HA       SER  84  14.854   8.732  16.168
  694   1HB   SER  84          HB2       SER  84  16.331  10.974  14.739
  695   2HB   SER  84          HB3       SER  84  15.933  10.926  16.466
  696    HG   SER  84           HG       SER  84  18.078  10.212  16.047
  697    H    THR  85           H        THR  85  13.382  10.137  17.111
  698    HA   THR  85           HA       THR  85  11.659  11.885  15.435
  699    HB   THR  85           HB       THR  85  10.525   9.673  17.193
  700    HG1  THR  85           HG1      THR  85  10.859   9.887  14.392
  701   1HG2  THR  85          HG21      THR  85   9.203  11.616  15.241
  702   2HG2  THR  85          HG22      THR  85   8.391  10.258  16.054
  703   3HG2  THR  85          HG23      THR  85   9.020  11.606  17.008
  Start of MODEL    3
    1   1H    GLY   1           H1       GLY   1  -3.812 -16.078  -3.825
    2   2H    GLY   1           H2       GLY   1  -3.474 -17.530  -4.510
    3   3H    GLY   1           H3       GLY   1  -4.002 -17.454  -2.960
    4   1HA   GLY   1          HA2       GLY   1  -5.578 -16.719  -5.340
    5   2HA   GLY   1          HA3       GLY   1  -5.780 -18.206  -4.396
    6    H    SER   2           H        SER   2  -7.942 -16.576  -4.779
    7    HA   SER   2           HA       SER   2  -9.572 -15.304  -3.848
    8   1HB   SER   2          HB2       SER   2  -8.592 -16.554  -1.263
    9   2HB   SER   2          HB3       SER   2 -10.190 -15.843  -1.552
   10    HG   SER   2           HG       SER   2 -10.193 -18.127  -1.817
   11    H    HIS   3           H        HIS   3  -7.196 -13.812  -4.246
   12    HA   HIS   3           HA       HIS   3  -6.572 -12.065  -2.044
   13   1HB   HIS   3          HB2       HIS   3  -6.214 -11.788  -5.054
   14   2HB   HIS   3          HB3       HIS   3  -5.514 -10.697  -3.877
   15    HD1  HIS   3           HD1      HIS   3  -3.470 -11.970  -5.643
   16    HD2  HIS   3           HD2      HIS   3  -4.887 -13.762  -2.102
   17    HE1  HIS   3           HE1      HIS   3  -1.703 -13.679  -4.937
   18    H    MET   4           H        MET   4  -6.819  -9.761  -2.080
   19    HA   MET   4           HA       MET   4  -9.213  -8.645  -3.475
   20   1HB   MET   4          HB2       MET   4  -9.383  -6.925  -1.839
   21   2HB   MET   4          HB3       MET   4  -9.428  -8.466  -0.987
   22   1HG   MET   4          HG2       MET   4  -7.043  -8.190  -0.359
   23   2HG   MET   4          HG3       MET   4  -6.973  -6.663  -1.232
   24   1HE   MET   4          HE1       MET   4  -9.825  -5.223  -0.362
   25   2HE   MET   4          HE2       MET   4  -9.126  -4.246   0.940
   26   3HE   MET   4          HE3       MET   4  -8.226  -4.474  -0.575
   27    H    GLN   5           H        GLN   5  -8.796  -6.443  -4.337
   28    HA   GLN   5           HA       GLN   5  -5.909  -5.922  -4.830
   29   1HB   GLN   5          HB2       GLN   5  -6.347  -5.160  -7.034
   30   2HB   GLN   5          HB3       GLN   5  -7.035  -6.776  -6.858
   31   1HG   GLN   5          HG2       GLN   5  -9.284  -5.733  -6.507
   32   2HG   GLN   5          HG3       GLN   5  -8.554  -4.140  -6.777
   33   1HE2  GLN   5          HE21      GLN   5 -10.729  -5.525  -8.354
   34   2HE2  GLN   5          HE22      GLN   5 -10.061  -5.598  -9.984
   35    H    VAL   6           H        VAL   6  -5.173  -3.801  -4.953
   36    HA   VAL   6           HA       VAL   6  -6.945  -1.740  -3.659
   37    HB   VAL   6           HB       VAL   6  -4.119  -2.504  -2.794
   38   1HG1  VAL   6          HG11      VAL   6  -4.565  -0.909  -0.916
   39   2HG1  VAL   6          HG12      VAL   6  -4.508  -0.113  -2.484
   40   3HG1  VAL   6          HG13      VAL   6  -6.076  -0.423  -1.726
   41   1HG2  VAL   6          HG21      VAL   6  -5.736  -4.171  -1.961
   42   2HG2  VAL   6          HG22      VAL   6  -5.185  -3.146  -0.638
   43   3HG2  VAL   6          HG23      VAL   6  -6.786  -2.865  -1.357
   44    H    THR   7           H        THR   7  -6.503   0.388  -4.215
   45    HA   THR   7           HA       THR   7  -4.661   0.804  -6.534
   46    HB   THR   7           HB       THR   7  -7.089   2.424  -5.704
   47    HG1  THR   7           HG1      THR   7  -7.736   0.430  -6.394
   48   1HG2  THR   7          HG21      THR   7  -5.408   2.433  -8.244
   49   2HG2  THR   7          HG22      THR   7  -6.957   3.284  -8.037
   50   3HG2  THR   7          HG23      THR   7  -5.567   3.750  -7.052
   51    H    LEU   8           H        LEU   8  -3.003   2.131  -6.376
   52    HA   LEU   8           HA       LEU   8  -2.536   3.576  -3.812
   53   1HB   LEU   8          HB2       LEU   8  -0.491   2.231  -5.605
   54   2HB   LEU   8          HB3       LEU   8  -0.235   2.939  -4.015
   55    HG   LEU   8           HG       LEU   8  -1.632   0.343  -4.756
   56   1HD1  LEU   8          HD11      LEU   8   0.717   1.094  -2.953
   57   2HD1  LEU   8          HD12      LEU   8   0.063  -0.543  -3.111
   58   3HD1  LEU   8          HD13      LEU   8   0.759   0.267  -4.513
   59   1HD2  LEU   8          HD21      LEU   8  -2.943   1.499  -2.902
   60   2HD2  LEU   8          HD22      LEU   8  -2.119   0.044  -2.330
   61   3HD2  LEU   8          HD23      LEU   8  -1.442   1.651  -1.979
   62    H    LYS   9           H        LYS   9  -2.281   5.705  -4.013
   63    HA   LYS   9           HA       LYS   9  -1.318   6.940  -6.567
   64   1HB   LYS   9          HB2       LYS   9  -2.707   8.098  -4.100
   65   2HB   LYS   9          HB3       LYS   9  -1.990   9.086  -5.387
   66   1HG   LYS   9          HG2       LYS   9  -3.389   7.820  -7.038
   67   2HG   LYS   9          HG3       LYS   9  -4.276   7.098  -5.669
   68   1HD   LYS   9          HD2       LYS   9  -4.946   9.366  -4.949
   69   2HD   LYS   9          HD3       LYS   9  -4.010  10.098  -6.254
   70   1HE   LYS   9          HE2       LYS   9  -6.295   8.124  -6.692
   71   2HE   LYS   9          HE3       LYS   9  -6.502   9.876  -6.693
   72   1HZ   LYS   9          HZ1       LYS   9  -4.714   8.417  -8.583
   73   2HZ   LYS   9          HZ2       LYS   9  -6.199   8.996  -8.949
   74   3HZ   LYS   9          HZ3       LYS   9  -4.991  10.025  -8.575
   75    H    THR  10           H        THR  10   0.567   8.048  -6.701
   76    HA   THR  10           HA       THR  10   2.448   7.843  -4.401
   77    HB   THR  10           HB       THR  10   4.196   8.120  -6.009
   78    HG1  THR  10           HG1      THR  10   3.695   8.394  -8.204
   79   1HG2  THR  10          HG21      THR  10   2.168   6.220  -7.246
   80   2HG2  THR  10          HG22      THR  10   3.930   6.201  -7.461
   81   3HG2  THR  10          HG23      THR  10   3.234   5.836  -5.874
   82    H    LEU  11           H        LEU  11   3.959   9.545  -3.929
   83    HA   LEU  11           HA       LEU  11   2.944  12.238  -3.821
   84   1HB   LEU  11          HB2       LEU  11   5.777  11.139  -3.585
   85   2HB   LEU  11          HB3       LEU  11   5.310  12.794  -3.204
   86    HG   LEU  11           HG       LEU  11   4.290  10.312  -1.753
   87   1HD1  LEU  11          HD11      LEU  11   5.682  11.137   0.113
   88   2HD1  LEU  11          HD12      LEU  11   6.665  10.765  -1.318
   89   3HD1  LEU  11          HD13      LEU  11   6.284  12.453  -0.915
   90   1HD2  LEU  11          HD21      LEU  11   2.610  12.079  -1.622
   91   2HD2  LEU  11          HD22      LEU  11   3.451  11.972  -0.074
   92   3HD2  LEU  11          HD23      LEU  11   3.856  13.280  -1.204
   93    H    GLN  12           H        GLN  12   4.752  10.500  -6.260
   94    HA   GLN  12           HA       GLN  12   5.414  12.798  -7.905
   95   1HB   GLN  12          HB2       GLN  12   5.422   9.804  -8.491
   96   2HB   GLN  12          HB3       GLN  12   6.100  11.063  -9.514
   97   1HG   GLN  12          HG2       GLN  12   7.987  10.335  -8.488
   98   2HG   GLN  12          HG3       GLN  12   7.580  11.703  -7.468
   99   1HE2  GLN  12          HE21      GLN  12   9.351   9.784  -6.522
  100   2HE2  GLN  12          HE22      GLN  12   8.551   8.808  -5.295
  101    H    GLN  13           H        GLN  13   2.410  11.622  -7.285
  102    HA   GLN  13           HA       GLN  13   0.398  11.880  -8.212
  103   1HB   GLN  13          HB2       GLN  13   1.621  13.707 -10.300
  104   2HB   GLN  13          HB3       GLN  13  -0.051  13.651  -9.753
  105   1HG   GLN  13          HG2       GLN  13   2.371  14.594  -8.166
  106   2HG   GLN  13          HG3       GLN  13   1.050  15.574  -8.777
  107   1HE2  GLN  13          HE21      GLN  13   2.207  14.006  -6.010
  108   2HE2  GLN  13          HE22      GLN  13   0.681  13.940  -5.129
  109    H    GLN  14           H        GLN  14   1.399   9.528  -8.769
  110    HA   GLN  14           HA       GLN  14   0.300   8.831 -11.447
  111   1HB   GLN  14          HB2       GLN  14   2.798   8.707 -11.410
  112   2HB   GLN  14          HB3       GLN  14   2.717   7.634 -10.007
  113   1HG   GLN  14          HG2       GLN  14   1.560   5.928 -11.337
  114   2HG   GLN  14          HG3       GLN  14   1.574   7.001 -12.749
  115   1HE2  GLN  14          HE21      GLN  14   3.714   7.444 -13.770
  116   2HE2  GLN  14          HE22      GLN  14   5.049   6.342 -13.454
  117    H    THR  15           H        THR  15  -0.796   6.719 -11.403
  118    HA   THR  15           HA       THR  15  -1.308   5.613  -8.698
  119    HB   THR  15           HB       THR  15  -3.601   5.738 -10.637
  120    HG1  THR  15           HG1      THR  15  -2.940   7.887 -10.343
  121   1HG2  THR  15          HG21      THR  15  -3.380   5.672  -7.601
  122   2HG2  THR  15          HG22      THR  15  -4.903   5.746  -8.509
  123   3HG2  THR  15          HG23      THR  15  -3.839   4.327  -8.646
  124    H    PHE  16           H        PHE  16  -1.664   3.387  -8.571
  125    HA   PHE  16           HA       PHE  16  -1.843   1.732 -10.980
  126   1HB   PHE  16          HB2       PHE  16   0.081   0.363 -10.412
  127   2HB   PHE  16          HB3       PHE  16   0.596   2.006 -10.716
  128    HD1  PHE  16           HD1      PHE  16   1.101   3.541  -8.714
  129    HD2  PHE  16           HD2      PHE  16   0.606  -0.754  -8.251
  130    HE1  PHE  16           HE1      PHE  16   2.397   3.592  -6.601
  131    HE2  PHE  16           HE2      PHE  16   1.984  -0.671  -6.257
  132    HZ   PHE  16           HZ       PHE  16   2.903   1.476  -5.401
  133    H    LYS  17           H        LYS  17  -2.251  -0.563 -10.311
  134    HA   LYS  17           HA       LYS  17  -3.100  -0.925  -7.536
  135   1HB   LYS  17          HB2       LYS  17  -5.301  -1.894  -8.292
  136   2HB   LYS  17          HB3       LYS  17  -5.102  -0.150  -8.350
  137   1HG   LYS  17          HG2       LYS  17  -4.572  -0.396 -10.854
  138   2HG   LYS  17          HG3       LYS  17  -5.243  -2.040 -10.706
  139   1HD   LYS  17          HD2       LYS  17  -6.552   0.608  -9.976
  140   2HD   LYS  17          HD3       LYS  17  -6.920  -0.332 -11.425
  141   1HE   LYS  17          HE2       LYS  17  -8.081  -2.008 -10.210
  142   2HE   LYS  17          HE3       LYS  17  -7.291  -1.582  -8.688
  143   1HZ   LYS  17          HZ1       LYS  17  -8.492   0.485  -8.648
  144   2HZ   LYS  17          HZ2       LYS  17  -9.309   0.116 -10.034
  145   3HZ   LYS  17          HZ3       LYS  17  -9.535  -0.753  -8.651
  146    H    ILE  18           H        ILE  18  -3.181  -2.818  -6.755
  147    HA   ILE  18           HA       ILE  18  -1.950  -5.134  -8.160
  148    HB   ILE  18           HB       ILE  18  -0.575  -5.113  -5.861
  149   1HG1  ILE  18          HG12      ILE  18   0.454  -2.924  -5.399
  150   2HG1  ILE  18          HG13      ILE  18  -0.733  -2.126  -6.417
  151   1HG2  ILE  18          HG21      ILE  18   1.356  -4.204  -7.167
  152   2HG2  ILE  18          HG22      ILE  18   0.372  -5.307  -8.149
  153   3HG2  ILE  18          HG23      ILE  18   0.223  -3.553  -8.365
  154   1HD1  ILE  18          HD11      ILE  18  -2.533  -2.971  -4.883
  155   2HD1  ILE  18          HD12      ILE  18  -1.281  -3.724  -3.878
  156   3HD1  ILE  18          HD13      ILE  18  -1.352  -1.956  -4.073
  157    H    ASP  19           H        ASP  19  -1.790  -7.059  -6.485
  158    HA   ASP  19           HA       ASP  19  -4.229  -7.107  -4.811
  159   1HB   ASP  19          HB2       ASP  19  -5.069  -9.079  -5.840
  160   2HB   ASP  19          HB3       ASP  19  -4.856  -7.852  -7.075
  161    H    ILE  20           H        ILE  20  -4.232  -8.379  -3.105
  162    HA   ILE  20           HA       ILE  20  -2.110 -10.295  -2.482
  163    HB   ILE  20           HB       ILE  20  -1.407  -9.298  -0.440
  164   1HG1  ILE  20          HG12      ILE  20  -3.270  -8.143   0.434
  165   2HG1  ILE  20          HG13      ILE  20  -1.933  -7.027   0.299
  166   1HG2  ILE  20          HG21      ILE  20  -0.127  -8.671  -2.416
  167   2HG2  ILE  20          HG22      ILE  20  -1.089  -7.190  -2.612
  168   3HG2  ILE  20          HG23      ILE  20  -0.058  -7.416  -1.179
  169   1HD1  ILE  20          HD11      ILE  20  -4.425  -7.127  -1.435
  170   2HD1  ILE  20          HD12      ILE  20  -3.947  -5.871  -0.305
  171   3HD1  ILE  20          HD13      ILE  20  -3.021  -6.087  -1.800
  172    H    ASP  21           H        ASP  21  -2.615 -11.440  -0.343
  173    HA   ASP  21           HA       ASP  21  -5.359 -12.214  -0.180
  174   1HB   ASP  21          HB2       ASP  21  -3.425 -13.601   0.481
  175   2HB   ASP  21          HB3       ASP  21  -3.144 -12.540   1.857
  176    HA   PRO  22           HA       PRO  22  -6.920  -8.684   2.034
  177   1HB   PRO  22          HB2       PRO  22  -9.350  -9.625   2.958
  178   2HB   PRO  22          HB3       PRO  22  -9.018  -9.206   1.255
  179   1HG   PRO  22          HG2       PRO  22  -8.893 -11.939   2.549
  180   2HG   PRO  22          HG3       PRO  22  -9.711 -11.470   1.020
  181   1HD   PRO  22          HD2       PRO  22  -7.264 -12.602   0.989
  182   2HD   PRO  22          HD3       PRO  22  -7.645 -11.251  -0.118
  183    H    GLU  23           H        GLU  23  -6.262 -11.638   3.752
  184    HA   GLU  23           HA       GLU  23  -6.512 -10.264   6.390
  185   1HB   GLU  23          HB2       GLU  23  -6.367 -13.238   5.785
  186   2HB   GLU  23          HB3       GLU  23  -6.559 -12.481   7.371
  187   1HG   GLU  23          HG2       GLU  23  -8.696 -11.402   6.494
  188   2HG   GLU  23          HG3       GLU  23  -8.557 -12.439   5.075
  189    H    GLU  24           H        GLU  24  -4.152 -10.572   4.153
  190    HA   GLU  24           HA       GLU  24  -1.930 -11.021   6.075
  191   1HB   GLU  24          HB2       GLU  24  -2.072 -10.081   3.189
  192   2HB   GLU  24          HB3       GLU  24  -0.604  -9.925   4.142
  193   1HG   GLU  24          HG2       GLU  24  -1.979 -12.613   3.839
  194   2HG   GLU  24          HG3       GLU  24  -0.846 -11.993   2.640
  195    H    THR  25           H        THR  25  -0.427  -9.207   6.502
  196    HA   THR  25           HA       THR  25  -1.919  -6.780   7.283
  197    HB   THR  25           HB       THR  25   0.044  -6.213   8.577
  198    HG1  THR  25           HG1      THR  25   1.859  -7.340   8.466
  199   1HG2  THR  25          HG21      THR  25   0.131  -8.043  10.167
  200   2HG2  THR  25          HG22      THR  25  -1.535  -7.886   9.590
  201   3HG2  THR  25          HG23      THR  25  -0.502  -9.189   8.974
  202    H    VAL  26           H        VAL  26  -0.773  -4.675   7.092
  203    HA   VAL  26           HA       VAL  26  -0.293  -3.883   4.412
  204    HB   VAL  26           HB       VAL  26   0.741  -2.587   6.949
  205   1HG1  VAL  26          HG11      VAL  26   0.716  -0.465   5.648
  206   2HG1  VAL  26          HG12      VAL  26   1.926  -1.598   5.070
  207   3HG1  VAL  26          HG13      VAL  26   0.405  -1.408   4.170
  208   1HG2  VAL  26          HG21      VAL  26  -1.758  -1.956   5.318
  209   2HG2  VAL  26          HG22      VAL  26  -1.773  -2.871   6.848
  210   3HG2  VAL  26          HG23      VAL  26  -1.258  -1.196   6.829
  211    H    LYS  27           H        LYS  27   2.022  -5.405   6.592
  212    HA   LYS  27           HA       LYS  27   4.485  -4.806   5.330
  213   1HB   LYS  27          HB2       LYS  27   4.203  -6.062   7.425
  214   2HB   LYS  27          HB3       LYS  27   3.489  -7.415   6.537
  215   1HG   LYS  27          HG2       LYS  27   5.594  -7.857   5.397
  216   2HG   LYS  27          HG3       LYS  27   6.333  -6.416   6.136
  217   1HD   LYS  27          HD2       LYS  27   6.114  -7.380   8.370
  218   2HD   LYS  27          HD3       LYS  27   5.150  -8.719   7.748
  219   1HE   LYS  27          HE2       LYS  27   7.378  -9.496   8.246
  220   2HE   LYS  27          HE3       LYS  27   7.068  -9.610   6.512
  221   1HZ   LYS  27          HZ1       LYS  27   8.569  -7.361   7.741
  222   2HZ   LYS  27          HZ2       LYS  27   9.281  -8.681   7.090
  223   3HZ   LYS  27          HZ3       LYS  27   8.415  -7.697   6.131
  224    H    ALA  28           H        ALA  28   2.054  -7.274   4.331
  225    HA   ALA  28           HA       ALA  28   3.622  -8.306   2.144
  226   1HB   ALA  28          HB1       ALA  28   1.477  -9.334   1.466
  227   2HB   ALA  28          HB2       ALA  28   1.761  -9.530   3.208
  228   3HB   ALA  28          HB3       ALA  28   0.604  -8.307   2.626
  229    H    LEU  29           H        LEU  29   0.980  -5.876   2.233
  230    HA   LEU  29           HA       LEU  29   0.859  -5.285  -0.542
  231   1HB   LEU  29          HB2       LEU  29  -0.985  -4.887   0.919
  232   2HB   LEU  29          HB3       LEU  29   0.005  -3.991   2.069
  233    HG   LEU  29           HG       LEU  29   0.246  -2.166   0.516
  234   1HD1  LEU  29          HD11      LEU  29  -1.757  -3.702  -1.221
  235   2HD1  LEU  29          HD12      LEU  29  -1.248  -2.023  -1.492
  236   3HD1  LEU  29          HD13      LEU  29  -0.078  -3.331  -1.667
  237   1HD2  LEU  29          HD21      LEU  29  -2.079  -1.319   0.650
  238   2HD2  LEU  29          HD22      LEU  29  -2.642  -2.960   1.034
  239   3HD2  LEU  29          HD23      LEU  29  -1.557  -2.094   2.149
  240    H    LYS  30           H        LYS  30   2.767  -3.832   2.120
  241    HA   LYS  30           HA       LYS  30   3.877  -1.807   0.320
  242   1HB   LYS  30          HB2       LYS  30   3.178  -1.288   2.626
  243   2HB   LYS  30          HB3       LYS  30   4.312  -2.451   3.288
  244   1HG   LYS  30          HG2       LYS  30   5.382  -0.217   1.571
  245   2HG   LYS  30          HG3       LYS  30   4.817   0.191   3.190
  246   1HD   LYS  30          HD2       LYS  30   6.759  -2.085   2.755
  247   2HD   LYS  30          HD3       LYS  30   7.330  -0.433   2.892
  248   1HE   LYS  30          HE2       LYS  30   5.437  -1.352   5.027
  249   2HE   LYS  30          HE3       LYS  30   7.015  -2.145   4.998
  250   1HZ   LYS  30          HZ1       LYS  30   6.683   0.814   5.096
  251   2HZ   LYS  30          HZ2       LYS  30   7.038  -0.137   6.387
  252   3HZ   LYS  30          HZ3       LYS  30   8.091  -0.004   5.139
  253    H    GLU  31           H        GLU  31   5.036  -4.915   1.513
  254    HA   GLU  31           HA       GLU  31   7.741  -4.494   0.492
  255   1HB   GLU  31          HB2       GLU  31   6.125  -6.960   1.228
  256   2HB   GLU  31          HB3       GLU  31   7.725  -7.069   0.478
  257   1HG   GLU  31          HG2       GLU  31   8.753  -5.778   2.227
  258   2HG   GLU  31          HG3       GLU  31   7.204  -5.481   3.019
  259    H    LYS  32           H        LYS  32   4.736  -5.951  -0.963
  260    HA   LYS  32           HA       LYS  32   6.108  -6.975  -3.200
  261   1HB   LYS  32          HB2       LYS  32   4.013  -7.552  -4.035
  262   2HB   LYS  32          HB3       LYS  32   3.842  -7.579  -2.297
  263   1HG   LYS  32          HG2       LYS  32   1.945  -6.426  -2.675
  264   2HG   LYS  32          HG3       LYS  32   3.021  -5.044  -2.666
  265   1HD   LYS  32          HD2       LYS  32   1.368  -5.017  -4.539
  266   2HD   LYS  32          HD3       LYS  32   3.015  -4.938  -5.104
  267   1HE   LYS  32          HE2       LYS  32   1.613  -6.408  -6.510
  268   2HE   LYS  32          HE3       LYS  32   3.018  -7.221  -5.847
  269   1HZ   LYS  32          HZ1       LYS  32   1.011  -8.590  -5.684
  270   2HZ   LYS  32          HZ2       LYS  32   1.589  -8.280  -4.198
  271   3HZ   LYS  32          HZ3       LYS  32   0.262  -7.497  -4.746
  272    H    ILE  33           H        ILE  33   4.899  -3.687  -2.784
  273    HA   ILE  33           HA       ILE  33   5.185  -3.033  -5.589
  274    HB   ILE  33           HB       ILE  33   4.546  -0.824  -5.050
  275   1HG1  ILE  33          HG12      ILE  33   3.817  -0.386  -2.551
  276   2HG1  ILE  33          HG13      ILE  33   5.107  -1.518  -2.155
  277   1HG2  ILE  33          HG21      ILE  33   2.850  -2.585  -5.198
  278   2HG2  ILE  33          HG22      ILE  33   2.915  -2.817  -3.433
  279   3HG2  ILE  33          HG23      ILE  33   2.359  -1.292  -4.094
  280   1HD1  ILE  33          HD11      ILE  33   5.436   0.994  -3.871
  281   2HD1  ILE  33          HD12      ILE  33   5.754   0.916  -2.132
  282   3HD1  ILE  33          HD13      ILE  33   6.745  -0.039  -3.247
  283    H    GLU  34           H        GLU  34   7.505  -3.120  -3.008
  284    HA   GLU  34           HA       GLU  34   9.542  -1.457  -4.202
  285   1HB   GLU  34          HB2       GLU  34   9.669  -2.471  -1.915
  286   2HB   GLU  34          HB3       GLU  34   9.871  -4.063  -2.667
  287   1HG   GLU  34          HG2       GLU  34  11.966  -3.298  -3.745
  288   2HG   GLU  34          HG3       GLU  34  11.766  -1.712  -3.007
  289    H    SER  35           H        SER  35   8.431  -4.805  -4.863
  290    HA   SER  35           HA       SER  35  10.443  -5.337  -6.891
  291   1HB   SER  35          HB2       SER  35   7.773  -6.721  -6.441
  292   2HB   SER  35          HB3       SER  35   9.151  -7.345  -7.354
  293    HG   SER  35           HG       SER  35  10.359  -7.400  -5.423
  294    H    GLU  36           H        GLU  36   7.541  -3.441  -7.009
  295    HA   GLU  36           HA       GLU  36   7.076  -3.923  -9.908
  296   1HB   GLU  36          HB2       GLU  36   5.697  -2.151  -7.852
  297   2HB   GLU  36          HB3       GLU  36   5.217  -2.275  -9.539
  298   1HG   GLU  36          HG2       GLU  36   5.180  -4.557  -7.520
  299   2HG   GLU  36          HG3       GLU  36   3.787  -3.640  -8.068
  300    H    LYS  37           H        LYS  37   8.392  -1.440  -7.762
  301    HA   LYS  37           HA       LYS  37   9.049   0.306 -10.124
  302   1HB   LYS  37          HB2       LYS  37   7.939   1.093  -7.404
  303   2HB   LYS  37          HB3       LYS  37   8.494   2.226  -8.650
  304   1HG   LYS  37          HG2       LYS  37   6.814   1.350 -10.231
  305   2HG   LYS  37          HG3       LYS  37   6.204   0.241  -8.985
  306   1HD   LYS  37          HD2       LYS  37   5.657   2.121  -7.525
  307   2HD   LYS  37          HD3       LYS  37   6.222   3.278  -8.746
  308   1HE   LYS  37          HE2       LYS  37   3.951   1.266  -9.098
  309   2HE   LYS  37          HE3       LYS  37   3.740   2.975  -8.712
  310   1HZ   LYS  37          HZ1       LYS  37   5.068   2.063 -11.203
  311   2HZ   LYS  37          HZ2       LYS  37   3.486   2.450 -11.107
  312   3HZ   LYS  37          HZ3       LYS  37   4.598   3.597 -10.834
  313    H    GLY  38           H        GLY  38  10.408  -1.257  -7.439
  314   1HA   GLY  38          HA2       GLY  38  12.703  -1.675  -7.545
  315   2HA   GLY  38          HA3       GLY  38  13.016  -0.079  -8.202
  316    H    LYS  39           H        LYS  39  13.979  -1.748  -5.822
  317    HA   LYS  39           HA       LYS  39  13.704  -0.601  -3.330
  318   1HB   LYS  39          HB2       LYS  39  15.037  -2.586  -3.985
  319   2HB   LYS  39          HB3       LYS  39  16.149  -1.563  -4.890
  320   1HG   LYS  39          HG2       LYS  39  17.201  -2.204  -2.871
  321   2HG   LYS  39          HG3       LYS  39  16.865  -0.476  -2.769
  322   1HD   LYS  39          HD2       LYS  39  14.831  -0.997  -1.366
  323   2HD   LYS  39          HD3       LYS  39  15.256  -2.727  -1.472
  324   1HE   LYS  39          HE2       LYS  39  17.520  -2.143  -0.556
  325   2HE   LYS  39          HE3       LYS  39  16.957  -0.480  -0.333
  326   1HZ   LYS  39          HZ1       LYS  39  15.777  -2.889   0.969
  327   2HZ   LYS  39          HZ2       LYS  39  16.727  -1.794   1.721
  328   3HZ   LYS  39          HZ3       LYS  39  15.242  -1.361   1.187
  329    H    ASP  40           H        ASP  40  15.427   0.756  -6.069
  330    HA   ASP  40           HA       ASP  40  16.863   2.816  -4.696
  331   1HB   ASP  40          HB2       ASP  40  17.351   3.641  -6.924
  332   2HB   ASP  40          HB3       ASP  40  17.536   1.892  -6.849
  333    H    ALA  41           H        ALA  41  13.529   2.713  -5.584
  334    HA   ALA  41           HA       ALA  41  13.229   5.630  -4.945
  335   1HB   ALA  41          HB1       ALA  41  11.874   4.083  -7.192
  336   2HB   ALA  41          HB2       ALA  41  11.547   5.773  -6.747
  337   3HB   ALA  41          HB3       ALA  41  13.142   5.316  -7.375
  338    H    PHE  42           H        PHE  42  11.978   2.412  -4.496
  339    HA   PHE  42           HA       PHE  42   9.884   3.412  -2.629
  340   1HB   PHE  42          HB2       PHE  42   9.600   1.376  -4.869
  341   2HB   PHE  42          HB3       PHE  42   8.457   1.519  -3.550
  342    HD1  PHE  42           HD1      PHE  42   9.694   3.136  -6.621
  343    HD2  PHE  42           HD2      PHE  42   6.972   3.449  -3.296
  344    HE1  PHE  42           HE1      PHE  42   8.466   4.949  -7.797
  345    HE2  PHE  42           HE2      PHE  42   5.731   5.249  -4.480
  346    HZ   PHE  42           HZ       PHE  42   6.483   6.007  -6.728
  347    HA   PRO  43           HA       PRO  43  12.647   0.029  -0.857
  348   1HB   PRO  43          HB2       PRO  43  13.863   1.335   1.190
  349   2HB   PRO  43          HB3       PRO  43  14.461   1.402  -0.494
  350   1HG   PRO  43          HG2       PRO  43  12.687   3.394   0.935
  351   2HG   PRO  43          HG3       PRO  43  14.169   3.720  -0.024
  352   1HD   PRO  43          HD2       PRO  43  11.665   3.976  -1.086
  353   2HD   PRO  43          HD3       PRO  43  13.050   3.369  -2.047
  354    H    VAL  44           H        VAL  44  11.729  -1.365   0.558
  355    HA   VAL  44           HA       VAL  44   9.389  -0.998   1.991
  356    HB   VAL  44           HB       VAL  44  10.382  -3.154   1.467
  357   1HG1  VAL  44          HG11      VAL  44  12.091  -4.246   2.701
  358   2HG1  VAL  44          HG12      VAL  44  12.761  -2.713   2.141
  359   3HG1  VAL  44          HG13      VAL  44  12.254  -2.907   3.842
  360   1HG2  VAL  44          HG21      VAL  44   9.841  -4.344   3.611
  361   2HG2  VAL  44          HG22      VAL  44   9.745  -2.783   4.428
  362   3HG2  VAL  44          HG23      VAL  44   8.617  -3.176   3.113
  363    H    ALA  45           H        ALA  45  12.632  -0.709   3.346
  364    HA   ALA  45           HA       ALA  45  11.839  -0.179   6.039
  365   1HB   ALA  45          HB1       ALA  45  14.014  -1.142   5.342
  366   2HB   ALA  45          HB2       ALA  45  14.456   0.414   4.590
  367   3HB   ALA  45          HB3       ALA  45  14.235   0.302   6.350
  368    H    GLY  46           H        GLY  46  11.646   1.927   3.392
  369   1HA   GLY  46          HA2       GLY  46  11.699   4.378   5.108
  370   2HA   GLY  46          HA3       GLY  46  12.532   4.303   3.551
  371    H    GLN  47           H        GLN  47   9.424   2.656   3.896
  372    HA   GLN  47           HA       GLN  47   8.007   5.054   2.856
  373   1HB   GLN  47          HB2       GLN  47   7.113   3.999   0.950
  374   2HB   GLN  47          HB3       GLN  47   8.850   3.724   0.944
  375   1HG   GLN  47          HG2       GLN  47   8.332   1.411   1.954
  376   2HG   GLN  47          HG3       GLN  47   6.633   1.746   1.596
  377   1HE2  GLN  47          HE21      GLN  47   7.614  -0.494   0.284
  378   2HE2  GLN  47          HE22      GLN  47   8.128  -0.066  -1.336
  379    H    LYS  48           H        LYS  48   5.802   5.092   2.896
  380    HA   LYS  48           HA       LYS  48   4.450   3.474   5.017
  381   1HB   LYS  48          HB2       LYS  48   5.712   5.441   5.961
  382   2HB   LYS  48          HB3       LYS  48   4.799   6.512   4.913
  383   1HG   LYS  48          HG2       LYS  48   3.994   6.598   7.195
  384   2HG   LYS  48          HG3       LYS  48   2.723   5.990   6.142
  385   1HD   LYS  48          HD2       LYS  48   3.112   3.688   6.934
  386   2HD   LYS  48          HD3       LYS  48   4.542   4.220   7.848
  387   1HE   LYS  48          HE2       LYS  48   3.134   5.666   9.256
  388   2HE   LYS  48          HE3       LYS  48   1.694   5.214   8.330
  389   1HZ   LYS  48          HZ1       LYS  48   3.350   3.245   9.821
  390   2HZ   LYS  48          HZ2       LYS  48   2.005   3.933  10.435
  391   3HZ   LYS  48          HZ3       LYS  48   1.883   2.975   9.118
  392    H    LEU  49           H        LEU  49   2.128   3.870   5.113
  393    HA   LEU  49           HA       LEU  49   0.879   4.794   2.572
  394   1HB   LEU  49          HB2       LEU  49   0.403   2.238   4.162
  395   2HB   LEU  49          HB3       LEU  49  -0.801   2.935   3.089
  396    HG   LEU  49           HG       LEU  49   0.827   2.810   1.208
  397   1HD1  LEU  49          HD11      LEU  49   2.987   2.422   2.239
  398   2HD1  LEU  49          HD12      LEU  49   2.353   1.045   3.174
  399   3HD1  LEU  49          HD13      LEU  49   2.551   0.946   1.408
  400   1HD2  LEU  49          HD21      LEU  49  -1.034   1.210   1.524
  401   2HD2  LEU  49          HD22      LEU  49   0.368   0.431   0.792
  402   3HD2  LEU  49          HD23      LEU  49   0.017   0.185   2.518
  403    H    ILE  50           H        ILE  50  -1.148   5.672   2.678
  404    HA   ILE  50           HA       ILE  50  -2.578   5.958   5.285
  405    HB   ILE  50           HB       ILE  50  -1.828   8.151   3.316
  406   1HG1  ILE  50          HG12      ILE  50  -0.348   7.881   5.280
  407   2HG1  ILE  50          HG13      ILE  50  -1.164   9.435   5.242
  408   1HG2  ILE  50          HG21      ILE  50  -4.191   8.199   5.225
  409   2HG2  ILE  50          HG22      ILE  50  -3.434   9.667   4.567
  410   3HG2  ILE  50          HG23      ILE  50  -4.180   8.512   3.469
  411   1HD1  ILE  50          HD11      ILE  50  -1.163   8.611   7.520
  412   2HD1  ILE  50          HD12      ILE  50  -2.843   8.552   6.941
  413   3HD1  ILE  50          HD13      ILE  50  -1.871   7.074   7.011
  414    H    TYR  51           H        TYR  51  -4.720   5.546   5.142
  415    HA   TYR  51           HA       TYR  51  -5.959   5.441   2.411
  416   1HB   TYR  51          HB2       TYR  51  -5.783   3.217   3.396
  417   2HB   TYR  51          HB3       TYR  51  -6.661   3.761   4.818
  418    HD1  TYR  51           HD1      TYR  51  -7.254   4.220   1.096
  419    HD2  TYR  51           HD2      TYR  51  -8.759   2.728   4.850
  420    HE1  TYR  51           HE1      TYR  51  -9.368   3.551  -0.018
  421    HE2  TYR  51           HE2      TYR  51 -10.878   2.064   3.735
  422    HH   TYR  51           HH       TYR  51 -12.057   1.996   1.769
  423    H    ALA  52           H        ALA  52  -6.398   7.584   2.421
  424    HA   ALA  52           HA       ALA  52  -7.542   9.498   2.707
  425   1HB   ALA  52          HB1       ALA  52  -9.816   7.556   3.249
  426   2HB   ALA  52          HB2       ALA  52  -9.960   9.208   2.610
  427   3HB   ALA  52          HB3       ALA  52  -9.154   7.956   1.648
  428    H    GLY  53           H        GLY  53  -6.279   8.608   5.240
  429   1HA   GLY  53          HA2       GLY  53  -6.328  10.335   7.089
  430   2HA   GLY  53          HA3       GLY  53  -8.038   9.950   7.278
  431    H    LYS  54           H        LYS  54  -6.721   7.010   6.597
  432    HA   LYS  54           HA       LYS  54  -6.408   6.276   9.482
  433   1HB   LYS  54          HB2       LYS  54  -6.773   4.454   7.065
  434   2HB   LYS  54          HB3       LYS  54  -6.793   3.990   8.768
  435   1HG   LYS  54          HG2       LYS  54  -8.864   5.420   9.065
  436   2HG   LYS  54          HG3       LYS  54  -8.860   5.685   7.311
  437   1HD   LYS  54          HD2       LYS  54  -8.832   3.105   7.088
  438   2HD   LYS  54          HD3       LYS  54  -9.228   3.067   8.817
  439   1HE   LYS  54          HE2       LYS  54 -11.238   4.494   8.341
  440   2HE   LYS  54          HE3       LYS  54 -10.826   4.467   6.622
  441   1HZ   LYS  54          HZ1       LYS  54 -11.060   2.001   6.716
  442   2HZ   LYS  54          HZ2       LYS  54 -11.562   2.110   8.270
  443   3HZ   LYS  54          HZ3       LYS  54 -12.461   2.774   7.081
  444    H    ILE  55           H        ILE  55  -4.588   5.351  10.230
  445    HA   ILE  55           HA       ILE  55  -2.174   5.704   8.547
  446    HB   ILE  55           HB       ILE  55  -2.404   5.484  11.566
  447   1HG1  ILE  55          HG12      ILE  55  -2.043   7.963   9.812
  448   2HG1  ILE  55          HG13      ILE  55  -3.532   7.530  10.648
  449   1HG2  ILE  55          HG21      ILE  55  -0.066   6.286  11.553
  450   2HG2  ILE  55          HG22      ILE  55  -0.188   4.800  10.629
  451   3HG2  ILE  55          HG23      ILE  55  -0.079   6.358   9.777
  452   1HD1  ILE  55          HD11      ILE  55  -2.462   9.210  11.938
  453   2HD1  ILE  55          HD12      ILE  55  -2.342   7.686  12.837
  454   3HD1  ILE  55          HD13      ILE  55  -0.925   8.333  11.969
  455    H    LEU  56           H        LEU  56  -2.161   3.894   7.370
  456    HA   LEU  56           HA       LEU  56  -2.705   1.252   8.202
  457   1HB   LEU  56          HB2       LEU  56  -1.471   2.623   5.842
  458   2HB   LEU  56          HB3       LEU  56  -1.105   0.922   6.021
  459    HG   LEU  56           HG       LEU  56  -3.444   0.300   5.993
  460   1HD1  LEU  56          HD11      LEU  56  -4.501   2.245   7.096
  461   2HD1  LEU  56          HD12      LEU  56  -4.087   3.267   5.704
  462   3HD1  LEU  56          HD13      LEU  56  -5.238   1.918   5.532
  463   1HD2  LEU  56          HD21      LEU  56  -2.850   2.308   3.780
  464   2HD2  LEU  56          HD22      LEU  56  -2.241   0.633   3.840
  465   3HD2  LEU  56          HD23      LEU  56  -3.973   0.952   3.691
  466    H    ASN  57           H        ASN  57  -1.560  -0.424   8.934
  467    HA   ASN  57           HA       ASN  57   1.142   0.157  10.076
  468   1HB   ASN  57          HB2       ASN  57  -0.780   0.531  11.628
  469   2HB   ASN  57          HB3       ASN  57  -1.295  -1.133  11.336
  470   1HD2  ASN  57          HD21      ASN  57  -0.770  -2.386  13.076
  471   2HD2  ASN  57          HD22      ASN  57   0.840  -2.400  13.817
  472    H    ASP  58           H        ASP  58   2.647  -1.400  10.056
  473    HA   ASP  58           HA       ASP  58   2.430  -3.542   8.237
  474   1HB   ASP  58          HB2       ASP  58   4.688  -4.058   8.841
  475   2HB   ASP  58          HB3       ASP  58   4.471  -2.317   8.686
  476    H    ASP  59           H        ASP  59   1.731  -3.643  11.621
  477    HA   ASP  59           HA       ASP  59   1.514  -6.619  11.480
  478   1HB   ASP  59          HB2       ASP  59   1.964  -6.852  13.721
  479   2HB   ASP  59          HB3       ASP  59   3.153  -5.719  13.119
  480    H    THR  60           H        THR  60  -0.524  -4.469  10.684
  481    HA   THR  60           HA       THR  60  -2.887  -5.668  12.110
  482    HB   THR  60           HB       THR  60  -2.606  -2.939  10.821
  483    HG1  THR  60           HG1      THR  60  -2.916  -3.603  13.556
  484   1HG2  THR  60          HG21      THR  60  -4.886  -4.112  12.458
  485   2HG2  THR  60          HG22      THR  60  -4.768  -2.429  11.914
  486   3HG2  THR  60          HG23      THR  60  -4.934  -3.722  10.722
  487    H    ALA  61           H        ALA  61  -4.441  -6.611  10.833
  488    HA   ALA  61           HA       ALA  61  -3.647  -7.356   8.148
  489   1HB   ALA  61          HB1       ALA  61  -6.158  -7.977   9.717
  490   2HB   ALA  61          HB2       ALA  61  -5.622  -8.757   8.208
  491   3HB   ALA  61          HB3       ALA  61  -4.662  -8.940   9.685
  492    H    LEU  62           H        LEU  62  -4.583  -6.852   6.190
  493    HA   LEU  62           HA       LEU  62  -5.301  -4.159   5.890
  494   1HB   LEU  62          HB2       LEU  62  -5.522  -6.556   4.025
  495   2HB   LEU  62          HB3       LEU  62  -5.805  -4.902   3.477
  496    HG   LEU  62           HG       LEU  62  -3.203  -5.770   4.824
  497   1HD1  LEU  62          HD11      LEU  62  -2.219  -5.888   2.628
  498   2HD1  LEU  62          HD12      LEU  62  -3.579  -7.016   2.715
  499   3HD1  LEU  62          HD13      LEU  62  -3.777  -5.462   1.868
  500   1HD2  LEU  62          HD21      LEU  62  -3.582  -3.352   4.915
  501   2HD2  LEU  62          HD22      LEU  62  -2.344  -3.716   3.708
  502   3HD2  LEU  62          HD23      LEU  62  -3.990  -3.323   3.185
  503    H    LYS  63           H        LYS  63  -7.567  -6.934   5.859
  504    HA   LYS  63           HA       LYS  63  -9.865  -5.359   5.300
  505   1HB   LYS  63          HB2       LYS  63 -11.162  -7.190   5.738
  506   2HB   LYS  63          HB3       LYS  63  -9.655  -7.862   5.165
  507   1HG   LYS  63          HG2       LYS  63 -10.771  -7.858   7.986
  508   2HG   LYS  63          HG3       LYS  63 -10.468  -9.235   6.922
  509   1HD   LYS  63          HD2       LYS  63  -8.002  -8.734   7.095
  510   2HD   LYS  63          HD3       LYS  63  -8.368  -7.546   8.341
  511   1HE   LYS  63          HE2       LYS  63  -9.055 -10.526   8.429
  512   2HE   LYS  63          HE3       LYS  63  -7.687  -9.779   9.251
  513   1HZ   LYS  63          HZ1       LYS  63 -10.547  -9.204   9.827
  514   2HZ   LYS  63          HZ2       LYS  63  -9.546 -10.086  10.757
  515   3HZ   LYS  63          HZ3       LYS  63  -9.281  -8.488  10.584
  516    H    GLU  64           H        GLU  64  -8.060  -5.282   8.245
  517    HA   GLU  64           HA       GLU  64 -10.265  -4.363   9.948
  518   1HB   GLU  64          HB2       GLU  64  -7.266  -3.987  10.292
  519   2HB   GLU  64          HB3       GLU  64  -8.509  -3.669  11.493
  520   1HG   GLU  64          HG2       GLU  64  -9.154  -6.069  11.484
  521   2HG   GLU  64          HG3       GLU  64  -7.882  -6.408  10.313
  522    H    TYR  65           H        TYR  65  -8.172  -2.928   7.548
  523    HA   TYR  65           HA       TYR  65  -8.962  -0.156   8.262
  524   1HB   TYR  65          HB2       TYR  65  -7.135  -1.287   6.112
  525   2HB   TYR  65          HB3       TYR  65  -7.531   0.419   6.259
  526    HD1  TYR  65           HD1      TYR  65  -5.251  -2.142   7.387
  527    HD2  TYR  65           HD2      TYR  65  -7.153   1.551   8.573
  528    HE1  TYR  65           HE1      TYR  65  -3.623  -1.896   9.183
  529    HE2  TYR  65           HE2      TYR  65  -5.500   1.798  10.413
  530    HH   TYR  65           HH       TYR  65  -3.090  -0.709  11.142
  531    H    LYS  66           H        LYS  66 -10.434  -2.644   6.640
  532    HA   LYS  66           HA       LYS  66 -12.007  -2.902   5.011
  533   1HB   LYS  66          HB2       LYS  66 -12.991  -0.287   6.210
  534   2HB   LYS  66          HB3       LYS  66 -13.943  -1.403   5.223
  535   1HG   LYS  66          HG2       LYS  66 -13.582  -3.205   6.917
  536   2HG   LYS  66          HG3       LYS  66 -12.679  -2.063   7.920
  537   1HD   LYS  66          HD2       LYS  66 -14.897  -2.232   8.798
  538   2HD   LYS  66          HD3       LYS  66 -14.709  -0.622   8.090
  539   1HE   LYS  66          HE2       LYS  66 -15.921  -1.373   6.053
  540   2HE   LYS  66          HE3       LYS  66 -16.051  -3.004   6.724
  541   1HZ   LYS  66          HZ1       LYS  66 -17.398  -2.082   8.532
  542   2HZ   LYS  66          HZ2       LYS  66 -17.275  -0.572   7.918
  543   3HZ   LYS  66          HZ3       LYS  66 -18.082  -1.726   7.095
  544    H    ILE  67           H        ILE  67  -9.758  -2.086   3.829
  545    HA   ILE  67           HA       ILE  67 -10.075   0.122   1.999
  546    HB   ILE  67           HB       ILE  67  -8.198  -2.227   1.698
  547   1HG1  ILE  67          HG12      ILE  67  -7.929   0.326   3.336
  548   2HG1  ILE  67          HG13      ILE  67  -7.897  -1.342   3.919
  549   1HG2  ILE  67          HG21      ILE  67  -8.086   0.664   0.668
  550   2HG2  ILE  67          HG22      ILE  67  -6.834  -0.564   0.435
  551   3HG2  ILE  67          HG23      ILE  67  -8.385  -0.779  -0.335
  552   1HD1  ILE  67          HD11      ILE  67  -5.803  -1.700   2.558
  553   2HD1  ILE  67          HD12      ILE  67  -5.775   0.070   2.322
  554   3HD1  ILE  67          HD13      ILE  67  -5.678  -0.609   3.958
  555    H    ASP  68           H        ASP  68 -10.453   0.002  -0.291
  556    HA   ASP  68           HA       ASP  68 -12.159  -2.280  -1.204
  557   1HB   ASP  68          HB2       ASP  68 -13.467  -0.402  -0.201
  558   2HB   ASP  68          HB3       ASP  68 -12.771   0.686  -1.399
  559    H    GLU  69           H        GLU  69 -12.373  -2.506  -3.491
  560    HA   GLU  69           HA       GLU  69  -9.810  -2.115  -4.823
  561   1HB   GLU  69          HB2       GLU  69 -10.705  -3.561  -6.527
  562   2HB   GLU  69          HB3       GLU  69 -10.963  -4.256  -4.925
  563   1HG   GLU  69          HG2       GLU  69 -13.346  -3.482  -5.026
  564   2HG   GLU  69          HG3       GLU  69 -13.059  -2.873  -6.661
  565    H    LYS  70           H        LYS  70 -12.590  -0.205  -4.747
  566    HA   LYS  70           HA       LYS  70 -11.584   1.344  -7.093
  567   1HB   LYS  70          HB2       LYS  70 -13.906   1.880  -7.801
  568   2HB   LYS  70          HB3       LYS  70 -13.367   0.238  -8.071
  569   1HG   LYS  70          HG2       LYS  70 -15.672   0.242  -7.385
  570   2HG   LYS  70          HG3       LYS  70 -14.674  -0.585  -6.191
  571   1HD   LYS  70          HD2       LYS  70 -14.747   1.458  -4.747
  572   2HD   LYS  70          HD3       LYS  70 -15.697   2.286  -5.976
  573   1HE   LYS  70          HE2       LYS  70 -17.066   1.451  -4.100
  574   2HE   LYS  70          HE3       LYS  70 -17.569   0.769  -5.656
  575   1HZ   LYS  70          HZ1       LYS  70 -16.501  -1.285  -5.069
  576   2HZ   LYS  70          HZ2       LYS  70 -15.781  -0.639  -3.753
  577   3HZ   LYS  70          HZ3       LYS  70 -17.406  -0.860  -3.773
  578    H    ASN  71           H        ASN  71 -11.619   1.483  -4.032
  579    HA   ASN  71           HA       ASN  71 -11.592   4.479  -4.094
  580   1HB   ASN  71          HB2       ASN  71 -11.576   2.579  -1.707
  581   2HB   ASN  71          HB3       ASN  71 -11.259   4.301  -1.603
  582   1HD2  ASN  71          HD21      ASN  71 -12.987   5.813  -1.834
  583   2HD2  ASN  71          HD22      ASN  71 -14.654   5.262  -1.829
  584    H    PHE  72           H        PHE  72  -9.489   5.191  -2.758
  585    HA   PHE  72           HA       PHE  72  -7.202   3.429  -3.398
  586   1HB   PHE  72          HB2       PHE  72  -5.994   5.250  -4.532
  587   2HB   PHE  72          HB3       PHE  72  -7.414   4.712  -5.396
  588    HD1  PHE  72           HD1      PHE  72  -6.222   7.437  -3.079
  589    HD2  PHE  72           HD2      PHE  72  -8.994   6.261  -6.172
  590    HE1  PHE  72           HE1      PHE  72  -7.036   9.772  -3.245
  591    HE2  PHE  72           HE2      PHE  72  -9.759   8.605  -6.375
  592    HZ   PHE  72           HZ       PHE  72  -8.811  10.367  -4.886
  593    H    VAL  73           H        VAL  73  -5.197   4.095  -2.598
  594    HA   VAL  73           HA       VAL  73  -5.223   5.581  -0.030
  595    HB   VAL  73           HB       VAL  73  -4.914   3.771   1.107
  596   1HG1  VAL  73          HG11      VAL  73  -4.945   1.480   0.300
  597   2HG1  VAL  73          HG12      VAL  73  -6.214   2.443  -0.451
  598   3HG1  VAL  73          HG13      VAL  73  -4.736   2.054  -1.365
  599   1HG2  VAL  73          HG21      VAL  73  -2.930   2.349   1.011
  600   2HG2  VAL  73          HG22      VAL  73  -2.477   3.067  -0.548
  601   3HG2  VAL  73          HG23      VAL  73  -2.494   4.049   0.932
  602    H    VAL  74           H        VAL  74  -3.126   6.476   0.537
  603    HA   VAL  74           HA       VAL  74  -1.515   7.147  -1.896
  604    HB   VAL  74           HB       VAL  74  -1.657   8.587   0.779
  605   1HG1  VAL  74          HG11      VAL  74   0.499   8.976  -0.347
  606   2HG1  VAL  74          HG12      VAL  74  -0.338   9.350  -1.869
  607   3HG1  VAL  74          HG13      VAL  74  -0.506  10.421  -0.465
  608   1HG2  VAL  74          HG21      VAL  74  -2.877  10.344  -0.483
  609   2HG2  VAL  74          HG22      VAL  74  -2.907   9.292  -1.915
  610   3HG2  VAL  74          HG23      VAL  74  -3.787   8.834  -0.440
  611    H    VAL  75           H        VAL  75   0.565   6.531  -2.038
  612    HA   VAL  75           HA       VAL  75   1.961   5.292   0.307
  613    HB   VAL  75           HB       VAL  75   3.679   4.585  -1.398
  614   1HG1  VAL  75          HG11      VAL  75   2.247   2.952  -0.436
  615   2HG1  VAL  75          HG12      VAL  75   0.903   3.369  -1.533
  616   3HG1  VAL  75          HG13      VAL  75   2.388   2.604  -2.153
  617   1HG2  VAL  75          HG21      VAL  75   3.063   4.276  -3.711
  618   2HG2  VAL  75          HG22      VAL  75   1.479   5.025  -3.452
  619   3HG2  VAL  75          HG23      VAL  75   2.971   5.995  -3.320
  620    H    MET  76           H        MET  76   3.746   6.173   1.111
  621    HA   MET  76           HA       MET  76   4.835   8.720  -0.037
  622   1HB   MET  76          HB2       MET  76   4.148   8.153   2.883
  623   2HB   MET  76          HB3       MET  76   4.817   9.652   2.229
  624   1HG   MET  76          HG2       MET  76   2.726   9.971   0.904
  625   2HG   MET  76          HG3       MET  76   2.062   8.505   1.633
  626   1HE   MET  76          HE1       MET  76  -0.124  11.223   3.337
  627   2HE   MET  76          HE2       MET  76   0.484  11.232   1.667
  628   3HE   MET  76          HE3       MET  76  -0.095   9.715   2.397
  629    H    VAL  77           H        VAL  77   7.005   9.244   0.737
  630    HA   VAL  77           HA       VAL  77   8.570   6.852   1.660
  631    HB   VAL  77           HB       VAL  77   9.407   9.015  -0.289
  632   1HG1  VAL  77          HG11      VAL  77  11.299   8.285   1.225
  633   2HG1  VAL  77          HG12      VAL  77  11.013   6.613   0.691
  634   3HG1  VAL  77          HG13      VAL  77  11.528   7.841  -0.476
  635   1HG2  VAL  77          HG21      VAL  77   9.647   7.065  -1.843
  636   2HG2  VAL  77          HG22      VAL  77   8.965   6.005  -0.592
  637   3HG2  VAL  77          HG23      VAL  77   7.974   7.288  -1.314
  638    H    THR  78           H        THR  78   8.772   7.138   3.737
  639    HA   THR  78           HA       THR  78  10.310   9.385   4.764
  640    HB   THR  78           HB       THR  78   8.850   9.571   6.799
  641    HG1  THR  78           HG1      THR  78   6.725   8.845   6.646
  642   1HG2  THR  78          HG21      THR  78   7.171  11.047   5.879
  643   2HG2  THR  78          HG22      THR  78   8.673  11.257   4.965
  644   3HG2  THR  78          HG23      THR  78   7.333  10.318   4.267
  645    H    LYS  79           H        LYS  79  11.441   8.835   6.710
  646    HA   LYS  79           HA       LYS  79  11.831   5.887   6.948
  647   1HB   LYS  79          HB2       LYS  79  13.591   6.989   5.812
  648   2HB   LYS  79          HB3       LYS  79  13.777   8.185   7.092
  649   1HG   LYS  79          HG2       LYS  79  15.553   6.473   7.140
  650   2HG   LYS  79          HG3       LYS  79  14.627   6.520   8.638
  651   1HD   LYS  79          HD2       LYS  79  13.350   4.499   7.908
  652   2HD   LYS  79          HD3       LYS  79  14.245   4.497   6.384
  653   1HE   LYS  79          HE2       LYS  79  15.137   2.824   7.885
  654   2HE   LYS  79          HE3       LYS  79  16.350   4.079   7.610
  655   1HZ   LYS  79          HZ1       LYS  79  14.568   4.040   9.997
  656   2HZ   LYS  79          HZ2       LYS  79  16.074   3.380   9.988
  657   3HZ   LYS  79          HZ3       LYS  79  15.880   4.985   9.772
  658    HA   PRO  80           HA       PRO  80  10.679   6.750  11.305
  659   1HB   PRO  80          HB2       PRO  80   9.558   4.343  11.886
  660   2HB   PRO  80          HB3       PRO  80   8.712   5.565  10.892
  661   1HG   PRO  80          HG2       PRO  80  10.340   3.190   9.924
  662   2HG   PRO  80          HG3       PRO  80   8.677   3.657   9.444
  663   1HD   PRO  80          HD2       PRO  80  10.869   4.354   7.989
  664   2HD   PRO  80          HD3       PRO  80   9.455   5.443   8.133
  665    H    LYS  81           H        LYS  81  11.170   5.351  13.305
  666    HA   LYS  81           HA       LYS  81  13.657   3.706  13.120
  667   1HB   LYS  81          HB2       LYS  81  13.200   6.048  15.019
  668   2HB   LYS  81          HB3       LYS  81  14.518   4.878  15.153
  669   1HG   LYS  81          HG2       LYS  81  15.310   5.537  12.870
  670   2HG   LYS  81          HG3       LYS  81  14.083   6.811  12.832
  671   1HD   LYS  81          HD2       LYS  81  16.330   6.579  14.883
  672   2HD   LYS  81          HD3       LYS  81  16.330   7.640  13.466
  673   1HE   LYS  81          HE2       LYS  81  14.297   8.795  14.338
  674   2HE   LYS  81          HE3       LYS  81  14.342   7.771  15.781
  675   1HZ   LYS  81          HZ1       LYS  81  16.487   9.661  14.969
  676   2HZ   LYS  81          HZ2       LYS  81  15.425   9.903  16.182
  677   3HZ   LYS  81          HZ3       LYS  81  16.532   8.711  16.298
  678    H    ALA  82           H        ALA  82  14.042   2.399  14.970
  679    HA   ALA  82           HA       ALA  82  11.670   1.733  16.645
  680   1HB   ALA  82          HB1       ALA  82  13.199  -0.220  14.875
  681   2HB   ALA  82          HB2       ALA  82  11.942  -0.646  16.057
  682   3HB   ALA  82          HB3       ALA  82  11.527   0.336  14.640
  683    H    VAL  83           H        VAL  83  12.564   2.411  18.477
  684    HA   VAL  83           HA       VAL  83  15.045   1.059  19.494
  685    HB   VAL  83           HB       VAL  83  15.411   3.001  20.926
  686   1HG1  VAL  83          HG11      VAL  83  16.194   4.539  19.224
  687   2HG1  VAL  83          HG12      VAL  83  16.478   2.871  18.695
  688   3HG1  VAL  83          HG13      VAL  83  15.133   3.807  18.004
  689   1HG2  VAL  83          HG21      VAL  83  13.124   4.357  19.423
  690   2HG2  VAL  83          HG22      VAL  83  13.077   3.845  21.127
  691   3HG2  VAL  83          HG23      VAL  83  14.209   5.100  20.612
  692    H    SER  84           H        SER  84  11.741   1.044  19.904
  693    HA   SER  84           HA       SER  84  12.027  -0.458  22.436
  694   1HB   SER  84          HB2       SER  84  11.123   1.818  22.978
  695   2HB   SER  84          HB3       SER  84   9.738   1.475  21.922
  696    HG   SER  84           HG       SER  84   9.339   0.972  24.151
  697    H    THR  85           H        THR  85  10.534  -2.171  22.637
  698    HA   THR  85           HA       THR  85   8.824  -2.933  20.335
  699    HB   THR  85           HB       THR  85   9.840  -5.237  20.352
  700    HG1  THR  85           HG1      THR  85  11.040  -4.846  22.312
  701   1HG2  THR  85          HG21      THR  85  11.635  -4.719  18.812
  702   2HG2  THR  85          HG22      THR  85  10.285  -3.609  18.522
  703   3HG2  THR  85          HG23      THR  85  11.728  -3.046  19.397
  Start of MODEL    4
    1   1H    GLY   1           H1       GLY   1  -6.038 -16.236   0.618
    2   2H    GLY   1           H2       GLY   1  -5.907 -17.645  -0.221
    3   3H    GLY   1           H3       GLY   1  -6.276 -17.668   1.380
    4   1HA   GLY   1          HA2       GLY   1  -8.267 -18.104   0.148
    5   2HA   GLY   1          HA3       GLY   1  -8.366 -16.528   0.956
    6    H    SER   2           H        SER   2  -9.949 -15.896  -0.594
    7    HA   SER   2           HA       SER   2  -9.696 -16.148  -3.380
    8   1HB   SER   2          HB2       SER   2 -11.423 -14.178  -1.839
    9   2HB   SER   2          HB3       SER   2 -11.710 -14.792  -3.479
   10    HG   SER   2           HG       SER   2 -12.946 -15.924  -1.911
   11    H    HIS   3           H        HIS   3  -7.966 -13.902  -1.591
   12    HA   HIS   3           HA       HIS   3  -6.899 -11.960  -1.914
   13   1HB   HIS   3          HB2       HIS   3  -7.037 -12.874  -4.774
   14   2HB   HIS   3          HB3       HIS   3  -6.496 -11.254  -4.416
   15    HD1  HIS   3           HD1      HIS   3  -4.038 -11.719  -5.199
   16    HD2  HIS   3           HD2      HIS   3  -5.443 -14.168  -2.065
   17    HE1  HIS   3           HE1      HIS   3  -1.991 -12.889  -4.220
   18    H    MET   4           H        MET   4  -6.924  -9.767  -2.593
   19    HA   MET   4           HA       MET   4  -9.510  -8.556  -3.377
   20   1HB   MET   4          HB2       MET   4  -9.507  -8.653  -0.909
   21   2HB   MET   4          HB3       MET   4  -7.898  -7.928  -0.856
   22   1HG   MET   4          HG2       MET   4  -9.662  -6.324  -0.297
   23   2HG   MET   4          HG3       MET   4  -8.758  -5.823  -1.719
   24   1HE   MET   4          HE1       MET   4 -12.357  -4.380  -2.299
   25   2HE   MET   4          HE2       MET   4 -11.510  -4.570  -0.749
   26   3HE   MET   4          HE3       MET   4 -10.618  -4.009  -2.183
   27    H    GLN   5           H        GLN   5  -9.183  -6.409  -4.266
   28    HA   GLN   5           HA       GLN   5  -6.358  -5.835  -5.033
   29   1HB   GLN   5          HB2       GLN   5  -7.082  -5.176  -7.231
   30   2HB   GLN   5          HB3       GLN   5  -7.542  -6.846  -6.893
   31   1HG   GLN   5          HG2       GLN   5  -9.873  -6.095  -6.425
   32   2HG   GLN   5          HG3       GLN   5  -9.389  -4.432  -6.780
   33   1HE2  GLN   5          HE21      GLN   5 -11.402  -4.918  -8.383
   34   2HE2  GLN   5          HE22      GLN   5 -10.865  -5.492  -9.955
   35    H    VAL   6           H        VAL   6  -5.690  -3.706  -5.328
   36    HA   VAL   6           HA       VAL   6  -7.484  -1.607  -4.154
   37    HB   VAL   6           HB       VAL   6  -4.633  -2.051  -3.197
   38   1HG1  VAL   6          HG11      VAL   6  -5.460   0.259  -2.877
   39   2HG1  VAL   6          HG12      VAL   6  -6.933  -0.360  -2.104
   40   3HG1  VAL   6          HG13      VAL   6  -5.349  -0.567  -1.335
   41   1HG2  VAL   6          HG21      VAL   6  -7.222  -2.877  -1.797
   42   2HG2  VAL   6          HG22      VAL   6  -5.927  -3.966  -2.355
   43   3HG2  VAL   6          HG23      VAL   6  -5.619  -2.840  -1.039
   44    H    THR   7           H        THR   7  -6.938   0.532  -4.665
   45    HA   THR   7           HA       THR   7  -5.167   0.914  -7.045
   46    HB   THR   7           HB       THR   7  -7.352   2.705  -5.910
   47    HG1  THR   7           HG1      THR   7  -8.285   0.979  -6.893
   48   1HG2  THR   7          HG21      THR   7  -7.102   3.860  -8.140
   49   2HG2  THR   7          HG22      THR   7  -5.708   4.060  -7.074
   50   3HG2  THR   7          HG23      THR   7  -5.628   2.899  -8.415
   51    H    LEU   8           H        LEU   8  -3.258   1.970  -6.734
   52    HA   LEU   8           HA       LEU   8  -2.760   3.280  -4.076
   53   1HB   LEU   8          HB2       LEU   8  -0.753   1.833  -5.837
   54   2HB   LEU   8          HB3       LEU   8  -0.489   2.512  -4.237
   55    HG   LEU   8           HG       LEU   8  -2.022   0.025  -5.037
   56   1HD1  LEU   8          HD11      LEU   8   0.369  -0.214  -4.661
   57   2HD1  LEU   8          HD12      LEU   8   0.290   0.641  -3.116
   58   3HD1  LEU   8          HD13      LEU   8  -0.442  -0.962  -3.291
   59   1HD2  LEU   8          HD21      LEU   8  -1.947   1.371  -2.289
   60   2HD2  LEU   8          HD22      LEU   8  -3.384   1.131  -3.296
   61   3HD2  LEU   8          HD23      LEU   8  -2.575  -0.267  -2.596
   62    H    LYS   9           H        LYS   9  -2.341   5.367  -4.161
   63    HA   LYS   9           HA       LYS   9  -1.212   6.655  -6.614
   64   1HB   LYS   9          HB2       LYS   9  -2.477   7.852  -4.101
   65   2HB   LYS   9          HB3       LYS   9  -1.807   8.772  -5.456
   66   1HG   LYS   9          HG2       LYS   9  -3.430   7.560  -6.962
   67   2HG   LYS   9          HG3       LYS   9  -4.202   6.898  -5.508
   68   1HD   LYS   9          HD2       LYS   9  -5.516   8.776  -6.067
   69   2HD   LYS   9          HD3       LYS   9  -4.478   9.352  -4.760
   70   1HE   LYS   9          HE2       LYS   9  -4.528  11.066  -6.431
   71   2HE   LYS   9          HE3       LYS   9  -2.925  10.325  -6.506
   72   1HZ   LYS   9          HZ1       LYS   9  -3.865  10.608  -8.726
   73   2HZ   LYS   9          HZ2       LYS   9  -3.733   9.003  -8.432
   74   3HZ   LYS   9          HZ3       LYS   9  -5.190   9.738  -8.347
   75    H    THR  10           H        THR  10   0.781   7.585  -6.606
   76    HA   THR  10           HA       THR  10   2.478   7.308  -4.159
   77    HB   THR  10           HB       THR  10   4.368   7.547  -5.597
   78    HG1  THR  10           HG1      THR  10   4.019   7.838  -7.867
   79   1HG2  THR  10          HG21      THR  10   3.317   5.288  -5.647
   80   2HG2  THR  10          HG22      THR  10   2.392   5.763  -7.090
   81   3HG2  THR  10          HG23      THR  10   4.160   5.682  -7.153
   82    H    LEU  11           H        LEU  11   3.761   9.051  -3.387
   83    HA   LEU  11           HA       LEU  11   2.802  11.711  -3.596
   84   1HB   LEU  11          HB2       LEU  11   4.629  12.367  -2.347
   85   2HB   LEU  11          HB3       LEU  11   4.261  10.747  -1.783
   86    HG   LEU  11           HG       LEU  11   6.551  11.507  -3.663
   87   1HD1  LEU  11          HD11      LEU  11   7.982  11.112  -1.725
   88   2HD1  LEU  11          HD12      LEU  11   6.800  12.376  -1.369
   89   3HD1  LEU  11          HD13      LEU  11   6.558  10.742  -0.717
   90   1HD2  LEU  11          HD21      LEU  11   5.927   8.840  -2.310
   91   2HD2  LEU  11          HD22      LEU  11   5.932   9.162  -4.057
   92   3HD2  LEU  11          HD23      LEU  11   7.438   9.237  -3.149
   93    H    GLN  12           H        GLN  12   4.682   9.952  -5.883
   94    HA   GLN  12           HA       GLN  12   5.767  12.280  -7.311
   95   1HB   GLN  12          HB2       GLN  12   5.757   9.295  -7.927
   96   2HB   GLN  12          HB3       GLN  12   6.566  10.526  -8.903
   97   1HG   GLN  12          HG2       GLN  12   8.024  11.131  -7.020
   98   2HG   GLN  12          HG3       GLN  12   7.200   9.981  -5.971
   99   1HE2  GLN  12          HE21      GLN  12   8.531   8.211  -5.629
  100   2HE2  GLN  12          HE22      GLN  12   9.473   7.450  -6.899
  101    H    GLN  13           H        GLN  13   2.689  11.305  -7.019
  102    HA   GLN  13           HA       GLN  13   0.787  11.645  -8.120
  103   1HB   GLN  13          HB2       GLN  13   2.263  13.414 -10.084
  104   2HB   GLN  13          HB3       GLN  13   0.549  13.402  -9.705
  105   1HG   GLN  13          HG2       GLN  13   0.953  15.048  -8.251
  106   2HG   GLN  13          HG3       GLN  13   1.681  13.857  -7.189
  107   1HE2  GLN  13          HE21      GLN  13   3.901  14.267  -6.635
  108   2HE2  GLN  13          HE22      GLN  13   4.886  15.410  -7.537
  109    H    GLN  14           H        GLN  14   1.537   9.249  -8.555
  110    HA   GLN  14           HA       GLN  14   0.724   8.600 -11.332
  111   1HB   GLN  14          HB2       GLN  14   3.192   8.360 -11.172
  112   2HB   GLN  14          HB3       GLN  14   3.012   7.351  -9.732
  113   1HG   GLN  14          HG2       GLN  14   1.834   5.636 -11.051
  114   2HG   GLN  14          HG3       GLN  14   1.996   6.635 -12.505
  115   1HE2  GLN  14          HE21      GLN  14   4.301   7.057 -13.271
  116   2HE2  GLN  14          HE22      GLN  14   5.512   5.845 -12.879
  117    H    THR  15           H        THR  15  -0.560   6.636 -11.383
  118    HA   THR  15           HA       THR  15  -1.262   5.486  -8.737
  119    HB   THR  15           HB       THR  15  -3.452   5.976 -10.747
  120    HG1  THR  15           HG1      THR  15  -2.617   7.993 -10.275
  121   1HG2  THR  15          HG21      THR  15  -3.374   5.523  -7.739
  122   2HG2  THR  15          HG22      THR  15  -4.832   5.960  -8.650
  123   3HG2  THR  15          HG23      THR  15  -3.987   4.429  -8.973
  124    H    PHE  16           H        PHE  16  -1.732   3.305  -8.689
  125    HA   PHE  16           HA       PHE  16  -1.915   1.774 -11.215
  126   1HB   PHE  16          HB2       PHE  16  -0.104   0.286 -10.622
  127   2HB   PHE  16          HB3       PHE  16   0.466   1.923 -10.803
  128    HD1  PHE  16           HD1      PHE  16   0.118  -0.925  -8.445
  129    HD2  PHE  16           HD2      PHE  16   1.098   3.289  -8.795
  130    HE1  PHE  16           HE1      PHE  16   1.488  -1.060  -6.440
  131    HE2  PHE  16           HE2      PHE  16   2.351   3.153  -6.658
  132    HZ   PHE  16           HZ       PHE  16   2.599   0.971  -5.502
  133    H    LYS  17           H        LYS  17  -2.042  -0.647 -10.619
  134    HA   LYS  17           HA       LYS  17  -4.147  -1.059  -8.543
  135   1HB   LYS  17          HB2       LYS  17  -4.163  -2.114 -11.416
  136   2HB   LYS  17          HB3       LYS  17  -5.404  -2.377 -10.204
  137   1HG   LYS  17          HG2       LYS  17  -4.719   0.290 -11.516
  138   2HG   LYS  17          HG3       LYS  17  -6.062  -0.779 -11.940
  139   1HD   LYS  17          HD2       LYS  17  -6.873  -0.529  -9.527
  140   2HD   LYS  17          HD3       LYS  17  -5.690   0.767  -9.352
  141   1HE   LYS  17          HE2       LYS  17  -7.966   0.640 -11.382
  142   2HE   LYS  17          HE3       LYS  17  -7.972   1.588  -9.892
  143   1HZ   LYS  17          HZ1       LYS  17  -6.105   2.882 -10.794
  144   2HZ   LYS  17          HZ2       LYS  17  -6.139   2.025 -12.191
  145   3HZ   LYS  17          HZ3       LYS  17  -7.400   2.969 -11.781
  146    H    ILE  18           H        ILE  18  -3.710  -2.765  -7.316
  147    HA   ILE  18           HA       ILE  18  -2.211  -5.103  -8.363
  148    HB   ILE  18           HB       ILE  18  -1.095  -5.023  -5.989
  149   1HG1  ILE  18          HG12      ILE  18  -0.220  -2.878  -5.291
  150   2HG1  ILE  18          HG13      ILE  18  -1.260  -2.036  -6.444
  151   1HG2  ILE  18          HG21      ILE  18  -0.075  -3.361  -8.336
  152   2HG2  ILE  18          HG22      ILE  18   0.932  -4.020  -7.046
  153   3HG2  ILE  18          HG23      ILE  18   0.098  -5.115  -8.163
  154   1HD1  ILE  18          HD11      ILE  18  -2.253  -3.851  -4.197
  155   2HD1  ILE  18          HD12      ILE  18  -2.181  -2.080  -4.129
  156   3HD1  ILE  18          HD13      ILE  18  -3.245  -2.853  -5.287
  157    H    ASP  19           H        ASP  19  -2.206  -6.935  -6.673
  158    HA   ASP  19           HA       ASP  19  -4.611  -6.944  -4.993
  159   1HB   ASP  19          HB2       ASP  19  -5.581  -8.877  -5.885
  160   2HB   ASP  19          HB3       ASP  19  -5.306  -7.806  -7.250
  161    H    ILE  20           H        ILE  20  -4.509  -8.225  -3.255
  162    HA   ILE  20           HA       ILE  20  -2.360 -10.146  -2.765
  163    HB   ILE  20           HB       ILE  20  -1.530  -9.185  -0.766
  164   1HG1  ILE  20          HG12      ILE  20  -3.285  -8.070   0.296
  165   2HG1  ILE  20          HG13      ILE  20  -2.027  -6.889   0.018
  166   1HG2  ILE  20          HG21      ILE  20  -0.220  -7.299  -1.526
  167   2HG2  ILE  20          HG22      ILE  20  -0.386  -8.483  -2.820
  168   3HG2  ILE  20          HG23      ILE  20  -1.348  -6.996  -2.868
  169   1HD1  ILE  20          HD11      ILE  20  -3.400  -6.064  -1.991
  170   2HD1  ILE  20          HD12      ILE  20  -4.704  -7.121  -1.392
  171   3HD1  ILE  20          HD13      ILE  20  -4.110  -5.804  -0.387
  172    H    ASP  21           H        ASP  21  -2.783 -11.200  -0.456
  173    HA   ASP  21           HA       ASP  21  -5.625 -11.790  -0.249
  174   1HB   ASP  21          HB2       ASP  21  -3.821 -13.446   0.200
  175   2HB   ASP  21          HB3       ASP  21  -3.425 -12.557   1.673
  176    HA   PRO  22           HA       PRO  22  -6.460  -8.227   2.307
  177   1HB   PRO  22          HB2       PRO  22  -9.019  -8.749   3.169
  178   2HB   PRO  22          HB3       PRO  22  -8.602  -8.266   1.503
  179   1HG   PRO  22          HG2       PRO  22  -9.018 -11.069   2.583
  180   2HG   PRO  22          HG3       PRO  22  -9.737 -10.336   1.110
  181   1HD   PRO  22          HD2       PRO  22  -7.546 -11.920   0.972
  182   2HD   PRO  22          HD3       PRO  22  -7.679 -10.461  -0.056
  183    H    GLU  23           H        GLU  23  -6.241 -11.407   3.715
  184    HA   GLU  23           HA       GLU  23  -6.262 -10.249   6.461
  185   1HB   GLU  23          HB2       GLU  23  -6.247 -13.172   5.649
  186   2HB   GLU  23          HB3       GLU  23  -6.390 -12.496   7.276
  187   1HG   GLU  23          HG2       GLU  23  -8.473 -11.209   6.279
  188   2HG   GLU  23          HG3       GLU  23  -8.425 -12.459   5.035
  189    H    GLU  24           H        GLU  24  -3.993 -10.488   4.113
  190    HA   GLU  24           HA       GLU  24  -1.728 -11.077   5.946
  191   1HB   GLU  24          HB2       GLU  24  -1.882  -9.904   3.143
  192   2HB   GLU  24          HB3       GLU  24  -0.395 -10.002   4.073
  193   1HG   GLU  24          HG2       GLU  24  -2.067 -12.463   3.446
  194   2HG   GLU  24          HG3       GLU  24  -0.794 -11.863   2.390
  195    H    THR  25           H        THR  25  -0.199  -9.320   6.469
  196    HA   THR  25           HA       THR  25  -1.597  -6.897   7.378
  197    HB   THR  25           HB       THR  25   0.464  -6.356   8.518
  198    HG1  THR  25           HG1      THR  25   2.257  -7.494   8.253
  199   1HG2  THR  25          HG21      THR  25  -0.208  -9.304   8.924
  200   2HG2  THR  25          HG22      THR  25   0.618  -8.242  10.074
  201   3HG2  THR  25          HG23      THR  25  -1.076  -7.936   9.652
  202    H    VAL  26           H        VAL  26  -0.445  -4.758   7.141
  203    HA   VAL  26           HA       VAL  26  -0.297  -3.990   4.413
  204    HB   VAL  26           HB       VAL  26   0.923  -2.619   6.822
  205   1HG1  VAL  26          HG11      VAL  26   0.260  -1.448   4.094
  206   2HG1  VAL  26          HG12      VAL  26   0.764  -0.528   5.533
  207   3HG1  VAL  26          HG13      VAL  26   1.887  -1.646   4.790
  208   1HG2  VAL  26          HG21      VAL  26  -1.744  -2.119   5.428
  209   2HG2  VAL  26          HG22      VAL  26  -1.571  -2.987   6.969
  210   3HG2  VAL  26          HG23      VAL  26  -1.130  -1.291   6.865
  211    H    LYS  27           H        LYS  27   2.283  -5.308   6.448
  212    HA   LYS  27           HA       LYS  27   4.568  -4.637   4.945
  213   1HB   LYS  27          HB2       LYS  27   4.610  -5.804   7.088
  214   2HB   LYS  27          HB3       LYS  27   3.882  -7.243   6.355
  215   1HG   LYS  27          HG2       LYS  27   5.851  -7.565   4.949
  216   2HG   LYS  27          HG3       LYS  27   6.582  -6.064   5.562
  217   1HD   LYS  27          HD2       LYS  27   6.618  -7.025   7.844
  218   2HD   LYS  27          HD3       LYS  27   5.893  -8.523   7.248
  219   1HE   LYS  27          HE2       LYS  27   8.579  -7.390   6.334
  220   2HE   LYS  27          HE3       LYS  27   8.386  -8.611   7.594
  221   1HZ   LYS  27          HZ1       LYS  27   7.622  -8.947   4.736
  222   2HZ   LYS  27          HZ2       LYS  27   8.875  -9.657   5.488
  223   3HZ   LYS  27          HZ3       LYS  27   7.351 -10.068   5.909
  224    H    ALA  28           H        ALA  28   2.196  -7.248   4.181
  225    HA   ALA  28           HA       ALA  28   3.672  -8.286   1.943
  226   1HB   ALA  28          HB1       ALA  28   0.679  -8.338   2.550
  227   2HB   ALA  28          HB2       ALA  28   1.525  -9.367   1.372
  228   3HB   ALA  28          HB3       ALA  28   1.884  -9.525   3.101
  229    H    LEU  29           H        LEU  29   0.883  -5.993   2.018
  230    HA   LEU  29           HA       LEU  29   0.750  -5.328  -0.705
  231   1HB   LEU  29          HB2       LEU  29  -0.878  -5.092   1.114
  232   2HB   LEU  29          HB3       LEU  29   0.065  -3.816   1.850
  233    HG   LEU  29           HG       LEU  29  -2.009  -3.317   0.601
  234   1HD1  LEU  29          HD11      LEU  29  -1.278  -1.148  -0.232
  235   2HD1  LEU  29          HD12      LEU  29  -0.427  -1.556   1.266
  236   3HD1  LEU  29          HD13      LEU  29   0.403  -1.702  -0.300
  237   1HD2  LEU  29          HD21      LEU  29  -0.325  -3.483  -1.922
  238   2HD2  LEU  29          HD22      LEU  29  -1.566  -4.661  -1.446
  239   3HD2  LEU  29          HD23      LEU  29  -2.022  -2.983  -1.786
  240    H    LYS  30           H        LYS  30   2.763  -3.974   1.888
  241    HA   LYS  30           HA       LYS  30   3.830  -1.840   0.212
  242   1HB   LYS  30          HB2       LYS  30   3.326  -1.536   2.583
  243   2HB   LYS  30          HB3       LYS  30   4.423  -2.831   3.045
  244   1HG   LYS  30          HG2       LYS  30   5.559  -0.542   1.478
  245   2HG   LYS  30          HG3       LYS  30   5.062  -0.195   3.133
  246   1HD   LYS  30          HD2       LYS  30   6.852  -2.548   2.486
  247   2HD   LYS  30          HD3       LYS  30   7.515  -0.935   2.755
  248   1HE   LYS  30          HE2       LYS  30   5.625  -2.175   4.775
  249   2HE   LYS  30          HE3       LYS  30   7.317  -2.656   4.758
  250   1HZ   LYS  30          HZ1       LYS  30   6.791  -0.826   6.277
  251   2HZ   LYS  30          HZ2       LYS  30   7.984  -0.416   5.200
  252   3HZ   LYS  30          HZ3       LYS  30   6.457   0.173   5.031
  253    H    GLU  31           H        GLU  31   5.123  -4.997   1.276
  254    HA   GLU  31           HA       GLU  31   7.708  -4.550   0.040
  255   1HB   GLU  31          HB2       GLU  31   6.226  -7.069   0.882
  256   2HB   GLU  31          HB3       GLU  31   7.816  -7.098   0.110
  257   1HG   GLU  31          HG2       GLU  31   8.729  -5.630   1.877
  258   2HG   GLU  31          HG3       GLU  31   7.196  -5.674   2.731
  259    H    LYS  32           H        LYS  32   4.635  -5.979  -1.246
  260    HA   LYS  32           HA       LYS  32   5.844  -7.056  -3.549
  261   1HB   LYS  32          HB2       LYS  32   3.664  -7.495  -4.296
  262   2HB   LYS  32          HB3       LYS  32   3.604  -7.569  -2.557
  263   1HG   LYS  32          HG2       LYS  32   1.764  -6.283  -2.776
  264   2HG   LYS  32          HG3       LYS  32   2.927  -4.970  -2.817
  265   1HD   LYS  32          HD2       LYS  32   1.204  -4.728  -4.541
  266   2HD   LYS  32          HD3       LYS  32   2.775  -4.888  -5.296
  267   1HE   LYS  32          HE2       LYS  32   1.205  -7.427  -4.889
  268   2HE   LYS  32          HE3       LYS  32   0.546  -6.272  -6.042
  269   1HZ   LYS  32          HZ1       LYS  32   2.023  -7.778  -7.178
  270   2HZ   LYS  32          HZ2       LYS  32   2.677  -6.276  -7.226
  271   3HZ   LYS  32          HZ3       LYS  32   3.282  -7.399  -6.209
  272    H    ILE  33           H        ILE  33   4.887  -3.677  -3.066
  273    HA   ILE  33           HA       ILE  33   5.141  -3.072  -5.908
  274    HB   ILE  33           HB       ILE  33   4.589  -0.876  -5.438
  275   1HG1  ILE  33          HG12      ILE  33   4.153  -0.268  -2.852
  276   2HG1  ILE  33          HG13      ILE  33   5.530  -1.339  -2.624
  277   1HG2  ILE  33          HG21      ILE  33   2.780  -2.528  -5.243
  278   2HG2  ILE  33          HG22      ILE  33   3.006  -2.578  -3.480
  279   3HG2  ILE  33          HG23      ILE  33   2.485  -1.088  -4.254
  280   1HD1  ILE  33          HD11      ILE  33   6.139   1.068  -2.835
  281   2HD1  ILE  33          HD12      ILE  33   6.892   0.105  -4.117
  282   3HD1  ILE  33          HD13      ILE  33   5.460   1.099  -4.466
  283    H    GLU  34           H        GLU  34   7.387  -3.073  -3.179
  284    HA   GLU  34           HA       GLU  34   9.501  -1.584  -4.472
  285   1HB   GLU  34          HB2       GLU  34   9.452  -2.208  -2.042
  286   2HB   GLU  34          HB3       GLU  34   9.772  -3.887  -2.502
  287   1HG   GLU  34          HG2       GLU  34  11.895  -3.073  -3.653
  288   2HG   GLU  34          HG3       GLU  34  11.563  -1.473  -3.000
  289    H    SER  35           H        SER  35   8.468  -5.025  -4.653
  290    HA   SER  35           HA       SER  35  10.576  -5.929  -6.357
  291   1HB   SER  35          HB2       SER  35   7.705  -6.926  -6.238
  292   2HB   SER  35          HB3       SER  35   9.099  -7.790  -6.906
  293    HG   SER  35           HG       SER  35   8.654  -8.457  -4.765
  294    H    GLU  36           H        GLU  36   7.859  -3.882  -7.118
  295    HA   GLU  36           HA       GLU  36   8.078  -4.395 -10.053
  296   1HB   GLU  36          HB2       GLU  36   6.049  -2.947  -8.323
  297   2HB   GLU  36          HB3       GLU  36   6.030  -2.922 -10.092
  298   1HG   GLU  36          HG2       GLU  36   5.888  -5.403 -10.142
  299   2HG   GLU  36          HG3       GLU  36   5.868  -5.443  -8.379
  300    H    LYS  37           H        LYS  37   8.556  -1.802  -7.678
  301    HA   LYS  37           HA       LYS  37   9.411   0.078  -9.866
  302   1HB   LYS  37          HB2       LYS  37   8.092   0.641  -7.181
  303   2HB   LYS  37          HB3       LYS  37   8.600   1.857  -8.368
  304   1HG   LYS  37          HG2       LYS  37   7.056   0.889 -10.043
  305   2HG   LYS  37          HG3       LYS  37   6.496  -0.297  -8.849
  306   1HD   LYS  37          HD2       LYS  37   5.747   1.524  -7.364
  307   2HD   LYS  37          HD3       LYS  37   6.243   2.731  -8.563
  308   1HE   LYS  37          HE2       LYS  37   4.195   0.516  -9.053
  309   2HE   LYS  37          HE3       LYS  37   3.780   2.155  -8.552
  310   1HZ   LYS  37          HZ1       LYS  37   5.230   1.562 -11.070
  311   2HZ   LYS  37          HZ2       LYS  37   3.624   1.826 -10.973
  312   3HZ   LYS  37          HZ3       LYS  37   4.651   3.027 -10.596
  313    H    GLY  38           H        GLY  38  10.664  -1.597  -7.239
  314   1HA   GLY  38          HA2       GLY  38  12.892  -1.814  -6.725
  315   2HA   GLY  38          HA3       GLY  38  13.280  -0.368  -7.645
  316    H    LYS  39           H        LYS  39  14.168  -1.341  -4.983
  317    HA   LYS  39           HA       LYS  39  13.157   0.389  -2.932
  318   1HB   LYS  39          HB2       LYS  39  14.834  -0.470  -1.564
  319   2HB   LYS  39          HB3       LYS  39  14.435  -1.767  -2.667
  320   1HG   LYS  39          HG2       LYS  39  16.674  -1.986  -2.768
  321   2HG   LYS  39          HG3       LYS  39  16.531  -0.775  -4.046
  322   1HD   LYS  39          HD2       LYS  39  17.058   1.011  -2.356
  323   2HD   LYS  39          HD3       LYS  39  17.137  -0.232  -1.094
  324   1HE   LYS  39          HE2       LYS  39  18.997  -1.346  -2.327
  325   2HE   LYS  39          HE3       LYS  39  18.916  -0.101  -3.578
  326   1HZ   LYS  39          HZ1       LYS  39  19.508   1.550  -1.879
  327   2HZ   LYS  39          HZ2       LYS  39  19.581   0.396  -0.722
  328   3HZ   LYS  39          HZ3       LYS  39  20.651   0.390  -1.953
  329    H    ASP  40           H        ASP  40  15.224   1.093  -5.560
  330    HA   ASP  40           HA       ASP  40  16.620   3.392  -4.568
  331   1HB   ASP  40          HB2       ASP  40  17.142   2.108  -6.642
  332   2HB   ASP  40          HB3       ASP  40  15.669   2.735  -7.383
  333    H    ALA  41           H        ALA  41  13.264   2.967  -5.426
  334    HA   ALA  41           HA       ALA  41  12.766   5.899  -5.060
  335   1HB   ALA  41          HB1       ALA  41  12.535   5.263  -7.417
  336   2HB   ALA  41          HB2       ALA  41  11.400   3.967  -6.978
  337   3HB   ALA  41          HB3       ALA  41  10.955   5.668  -6.720
  338    H    PHE  42           H        PHE  42  11.767   2.626  -4.205
  339    HA   PHE  42           HA       PHE  42   9.863   3.741  -2.195
  340   1HB   PHE  42          HB2       PHE  42   9.302   1.435  -4.093
  341   2HB   PHE  42          HB3       PHE  42   8.285   1.947  -2.750
  342    HD1  PHE  42           HD1      PHE  42   6.974   4.046  -2.843
  343    HD2  PHE  42           HD2      PHE  42   9.380   2.725  -6.171
  344    HE1  PHE  42           HE1      PHE  42   5.853   5.703  -4.314
  345    HE2  PHE  42           HE2      PHE  42   8.252   4.384  -7.643
  346    HZ   PHE  42           HZ       PHE  42   6.501   5.882  -6.712
  347    HA   PRO  43           HA       PRO  43  12.927   0.571  -0.534
  348   1HB   PRO  43          HB2       PRO  43  13.938   1.985   1.570
  349   2HB   PRO  43          HB3       PRO  43  14.577   2.092  -0.096
  350   1HG   PRO  43          HG2       PRO  43  12.604   3.926   1.271
  351   2HG   PRO  43          HG3       PRO  43  14.054   4.374   0.310
  352   1HD   PRO  43          HD2       PRO  43  11.536   4.392  -0.741
  353   2HD   PRO  43          HD3       PRO  43  12.954   3.910  -1.716
  354    H    VAL  44           H        VAL  44  11.983  -0.978   0.677
  355    HA   VAL  44           HA       VAL  44   9.556  -0.690   2.056
  356    HB   VAL  44           HB       VAL  44  11.707  -2.793   2.072
  357   1HG1  VAL  44          HG11      VAL  44   9.154  -2.955   3.721
  358   2HG1  VAL  44          HG12      VAL  44  10.201  -4.330   3.306
  359   3HG1  VAL  44          HG13      VAL  44  10.818  -3.036   4.335
  360   1HG2  VAL  44          HG21      VAL  44  10.042  -2.383   0.175
  361   2HG2  VAL  44          HG22      VAL  44  10.050  -4.024   0.832
  362   3HG2  VAL  44          HG23      VAL  44   8.761  -2.876   1.277
  363    H    ALA  45           H        ALA  45  12.790  -0.486   3.475
  364    HA   ALA  45           HA       ALA  45  11.892  -0.179   6.209
  365   1HB   ALA  45          HB1       ALA  45  14.269   0.322   6.597
  366   2HB   ALA  45          HB2       ALA  45  14.098  -1.091   5.538
  367   3HB   ALA  45          HB3       ALA  45  14.536   0.492   4.847
  368    H    GLY  46           H        GLY  46  11.626   2.000   3.634
  369   1HA   GLY  46          HA2       GLY  46  11.647   4.406   5.405
  370   2HA   GLY  46          HA3       GLY  46  12.518   4.378   3.869
  371    H    GLN  47           H        GLN  47   9.485   2.641   3.945
  372    HA   GLN  47           HA       GLN  47   8.052   5.030   2.879
  373   1HB   GLN  47          HB2       GLN  47   6.992   3.844   1.178
  374   2HB   GLN  47          HB3       GLN  47   8.710   3.483   1.041
  375   1HG   GLN  47          HG2       GLN  47   8.407   1.269   1.936
  376   2HG   GLN  47          HG3       GLN  47   6.737   1.603   2.386
  377   1HE2  GLN  47          HE21      GLN  47   8.619   0.174  -0.100
  378   2HE2  GLN  47          HE22      GLN  47   7.282   0.081  -1.225
  379    H    LYS  48           H        LYS  48   5.875   5.185   3.087
  380    HA   LYS  48           HA       LYS  48   4.530   3.767   5.345
  381   1HB   LYS  48          HB2       LYS  48   5.886   5.756   6.083
  382   2HB   LYS  48          HB3       LYS  48   4.896   6.783   5.040
  383   1HG   LYS  48          HG2       LYS  48   2.898   6.256   6.378
  384   2HG   LYS  48          HG3       LYS  48   3.828   5.079   7.335
  385   1HD   LYS  48          HD2       LYS  48   5.322   6.958   8.091
  386   2HD   LYS  48          HD3       LYS  48   4.333   8.080   7.155
  387   1HE   LYS  48          HE2       LYS  48   3.599   8.283   9.401
  388   2HE   LYS  48          HE3       LYS  48   2.334   7.400   8.545
  389   1HZ   LYS  48          HZ1       LYS  48   3.218   5.339   9.514
  390   2HZ   LYS  48          HZ2       LYS  48   4.432   6.150  10.253
  391   3HZ   LYS  48          HZ3       LYS  48   2.889   6.397  10.711
  392    H    LEU  49           H        LEU  49   2.211   4.281   5.447
  393    HA   LEU  49           HA       LEU  49   0.974   4.945   2.822
  394   1HB   LEU  49          HB2       LEU  49   0.619   2.363   4.395
  395   2HB   LEU  49          HB3       LEU  49  -0.454   2.917   3.117
  396    HG   LEU  49           HG       LEU  49   1.822   3.056   1.718
  397   1HD1  LEU  49          HD11      LEU  49   3.272   1.144   2.168
  398   2HD1  LEU  49          HD12      LEU  49   3.301   2.206   3.570
  399   3HD1  LEU  49          HD13      LEU  49   2.337   0.725   3.620
  400   1HD2  LEU  49          HD21      LEU  49   1.303   0.788   0.860
  401   2HD2  LEU  49          HD22      LEU  49   0.277   0.494   2.288
  402   3HD2  LEU  49          HD23      LEU  49  -0.159   1.747   1.105
  403    H    ILE  50           H        ILE  50  -1.096   5.525   2.774
  404    HA   ILE  50           HA       ILE  50  -2.662   6.048   5.279
  405    HB   ILE  50           HB       ILE  50  -1.836   7.919   3.047
  406   1HG1  ILE  50          HG12      ILE  50  -0.608   7.947   5.238
  407   2HG1  ILE  50          HG13      ILE  50  -1.278   9.483   4.712
  408   1HG2  ILE  50          HG21      ILE  50  -4.199   8.204   2.886
  409   2HG2  ILE  50          HG22      ILE  50  -4.384   8.241   4.660
  410   3HG2  ILE  50          HG23      ILE  50  -3.574   9.573   3.800
  411   1HD1  ILE  50          HD11      ILE  50  -3.178   9.230   6.315
  412   2HD1  ILE  50          HD12      ILE  50  -2.490   7.688   6.847
  413   3HD1  ILE  50          HD13      ILE  50  -1.600   9.197   7.113
  414    H    TYR  51           H        TYR  51  -4.854   5.672   5.076
  415    HA   TYR  51           HA       TYR  51  -5.943   5.201   2.327
  416   1HB   TYR  51          HB2       TYR  51  -5.699   3.034   3.363
  417   2HB   TYR  51          HB3       TYR  51  -6.544   3.580   4.802
  418    HD1  TYR  51           HD1      TYR  51  -8.600   2.482   4.944
  419    HD2  TYR  51           HD2      TYR  51  -7.282   3.901   1.096
  420    HE1  TYR  51           HE1      TYR  51 -10.820   1.901   3.960
  421    HE2  TYR  51           HE2      TYR  51  -9.487   3.327   0.120
  422    HH   TYR  51           HH       TYR  51 -11.618   2.567   0.544
  423    H    ALA  52           H        ALA  52  -6.692   7.200   2.091
  424    HA   ALA  52           HA       ALA  52  -8.105   8.953   2.160
  425   1HB   ALA  52          HB1       ALA  52 -10.447   8.266   2.145
  426   2HB   ALA  52          HB2       ALA  52  -9.449   7.039   1.349
  427   3HB   ALA  52          HB3       ALA  52 -10.042   6.763   3.001
  428    H    GLY  53           H        GLY  53  -6.741   8.599   4.823
  429   1HA   GLY  53          HA2       GLY  53  -7.128  10.571   6.368
  430   2HA   GLY  53          HA3       GLY  53  -8.745   9.928   6.631
  431    H    LYS  54           H        LYS  54  -6.859   7.199   6.459
  432    HA   LYS  54           HA       LYS  54  -6.146   7.238   9.369
  433   1HB   LYS  54          HB2       LYS  54  -7.095   5.149   9.729
  434   2HB   LYS  54          HB3       LYS  54  -8.281   5.969   8.719
  435   1HG   LYS  54          HG2       LYS  54  -7.105   4.741   6.725
  436   2HG   LYS  54          HG3       LYS  54  -6.314   3.777   7.965
  437   1HD   LYS  54          HD2       LYS  54  -8.166   2.511   7.270
  438   2HD   LYS  54          HD3       LYS  54  -8.641   3.179   8.839
  439   1HE   LYS  54          HE2       LYS  54  -9.966   4.930   7.683
  440   2HE   LYS  54          HE3       LYS  54  -9.402   4.345   6.116
  441   1HZ   LYS  54          HZ1       LYS  54 -11.101   2.827   8.027
  442   2HZ   LYS  54          HZ2       LYS  54 -11.579   3.436   6.593
  443   3HZ   LYS  54          HZ3       LYS  54 -10.516   2.186   6.640
  444    H    ILE  55           H        ILE  55  -4.435   5.848  10.025
  445    HA   ILE  55           HA       ILE  55  -2.284   5.783   7.964
  446    HB   ILE  55           HB       ILE  55  -2.214   5.814  11.012
  447   1HG1  ILE  55          HG12      ILE  55  -0.931   7.909  10.747
  448   2HG1  ILE  55          HG13      ILE  55  -1.139   7.848   9.005
  449   1HG2  ILE  55          HG21      ILE  55  -0.354   4.412  10.244
  450   2HG2  ILE  55          HG22      ILE  55   0.104   5.632   9.032
  451   3HG2  ILE  55          HG23      ILE  55   0.269   5.963  10.773
  452   1HD1  ILE  55          HD11      ILE  55  -3.505   8.367   9.224
  453   2HD1  ILE  55          HD12      ILE  55  -3.443   8.106  10.989
  454   3HD1  ILE  55          HD13      ILE  55  -2.603   9.482  10.249
  455    H    LEU  56           H        LEU  56  -1.613   3.943   7.157
  456    HA   LEU  56           HA       LEU  56  -2.598   1.342   8.124
  457   1HB   LEU  56          HB2       LEU  56  -1.350   2.493   5.666
  458   2HB   LEU  56          HB3       LEU  56  -0.893   0.845   6.033
  459    HG   LEU  56           HG       LEU  56  -3.208   0.103   6.020
  460   1HD1  LEU  56          HD11      LEU  56  -4.386   2.108   6.828
  461   2HD1  LEU  56          HD12      LEU  56  -3.930   2.990   5.354
  462   3HD1  LEU  56          HD13      LEU  56  -5.032   1.592   5.271
  463   1HD2  LEU  56          HD21      LEU  56  -3.650   0.438   3.625
  464   2HD2  LEU  56          HD22      LEU  56  -2.551   1.825   3.590
  465   3HD2  LEU  56          HD23      LEU  56  -1.922   0.189   3.900
  466    H    ASN  57           H        ASN  57  -1.371  -0.327   8.914
  467    HA   ASN  57           HA       ASN  57   1.359   0.331   9.950
  468   1HB   ASN  57          HB2       ASN  57  -0.474   0.575  11.624
  469   2HB   ASN  57          HB3       ASN  57  -0.977  -1.081  11.265
  470   1HD2  ASN  57          HD21      ASN  57  -0.397  -2.388  12.923
  471   2HD2  ASN  57          HD22      ASN  57   1.251  -2.464  13.575
  472    H    ASP  58           H        ASP  58   2.898  -1.128   9.780
  473    HA   ASP  58           HA       ASP  58   2.870  -3.181   7.948
  474   1HB   ASP  58          HB2       ASP  58   4.761  -2.873  10.314
  475   2HB   ASP  58          HB3       ASP  58   5.099  -3.730   8.817
  476    H    ASP  59           H        ASP  59   1.971  -3.580  11.331
  477    HA   ASP  59           HA       ASP  59   1.884  -6.535  10.939
  478   1HB   ASP  59          HB2       ASP  59   2.461  -6.923  13.144
  479   2HB   ASP  59          HB3       ASP  59   3.595  -5.727  12.554
  480    H    THR  60           H        THR  60  -0.223  -4.297  10.538
  481    HA   THR  60           HA       THR  60  -2.484  -5.614  12.024
  482    HB   THR  60           HB       THR  60  -2.284  -2.870  10.735
  483    HG1  THR  60           HG1      THR  60  -2.580  -3.587  13.464
  484   1HG2  THR  60          HG21      THR  60  -4.432  -2.390  11.860
  485   2HG2  THR  60          HG22      THR  60  -4.607  -3.658  10.644
  486   3HG2  THR  60          HG23      THR  60  -4.548  -4.087  12.371
  487    H    ALA  61           H        ALA  61  -4.106  -6.594  10.821
  488    HA   ALA  61           HA       ALA  61  -3.397  -7.367   8.118
  489   1HB   ALA  61          HB1       ALA  61  -5.392  -8.749   8.246
  490   2HB   ALA  61          HB2       ALA  61  -4.373  -8.939   9.684
  491   3HB   ALA  61          HB3       ALA  61  -5.855  -7.961   9.776
  492    H    LEU  62           H        LEU  62  -4.359  -6.860   6.182
  493    HA   LEU  62           HA       LEU  62  -5.101  -4.176   5.847
  494   1HB   LEU  62          HB2       LEU  62  -5.364  -6.599   4.038
  495   2HB   LEU  62          HB3       LEU  62  -5.674  -4.961   3.471
  496    HG   LEU  62           HG       LEU  62  -3.033  -5.684   4.811
  497   1HD1  LEU  62          HD11      LEU  62  -2.065  -6.125   2.672
  498   2HD1  LEU  62          HD12      LEU  62  -3.429  -7.218   2.893
  499   3HD1  LEU  62          HD13      LEU  62  -3.612  -5.794   1.841
  500   1HD2  LEU  62          HD21      LEU  62  -3.531  -3.278   4.562
  501   2HD2  LEU  62          HD22      LEU  62  -2.233  -3.757   3.451
  502   3HD2  LEU  62          HD23      LEU  62  -3.873  -3.513   2.834
  503    H    LYS  63           H        LYS  63  -7.328  -6.981   5.952
  504    HA   LYS  63           HA       LYS  63  -9.680  -5.468   5.456
  505   1HB   LYS  63          HB2       LYS  63 -10.895  -7.323   5.900
  506   2HB   LYS  63          HB3       LYS  63  -9.359  -8.018   5.441
  507   1HG   LYS  63          HG2       LYS  63 -10.518  -7.761   8.243
  508   2HG   LYS  63          HG3       LYS  63 -10.346  -9.227   7.271
  509   1HD   LYS  63          HD2       LYS  63  -7.954  -9.222   7.505
  510   2HD   LYS  63          HD3       LYS  63  -7.959  -7.620   8.242
  511   1HE   LYS  63          HE2       LYS  63  -7.626  -9.404   9.920
  512   2HE   LYS  63          HE3       LYS  63  -9.048  -8.410  10.233
  513   1HZ   LYS  63          HZ1       LYS  63  -9.140 -11.141   9.009
  514   2HZ   LYS  63          HZ2       LYS  63  -9.500 -10.774  10.553
  515   3HZ   LYS  63          HZ3       LYS  63 -10.433 -10.201   9.353
  516    H    GLU  64           H        GLU  64  -7.773  -5.343   8.357
  517    HA   GLU  64           HA       GLU  64  -9.956  -4.475  10.117
  518   1HB   GLU  64          HB2       GLU  64  -6.951  -4.072  10.402
  519   2HB   GLU  64          HB3       GLU  64  -8.174  -3.781  11.633
  520   1HG   GLU  64          HG2       GLU  64  -8.795  -6.188  11.605
  521   2HG   GLU  64          HG3       GLU  64  -7.545  -6.495  10.406
  522    H    TYR  65           H        TYR  65  -7.940  -3.014   7.685
  523    HA   TYR  65           HA       TYR  65  -8.730  -0.250   8.405
  524   1HB   TYR  65          HB2       TYR  65  -7.009  -1.383   6.165
  525   2HB   TYR  65          HB3       TYR  65  -7.373   0.322   6.358
  526    HD1  TYR  65           HD1      TYR  65  -6.987   1.284   8.831
  527    HD2  TYR  65           HD2      TYR  65  -4.957  -2.164   7.201
  528    HE1  TYR  65           HE1      TYR  65  -5.204   1.545  10.509
  529    HE2  TYR  65           HE2      TYR  65  -3.192  -1.916   8.879
  530    HH   TYR  65           HH       TYR  65  -3.289   0.743  11.328
  531    H    LYS  66           H        LYS  66 -10.245  -2.755   6.880
  532    HA   LYS  66           HA       LYS  66 -11.913  -3.051   5.363
  533   1HB   LYS  66          HB2       LYS  66 -12.822  -0.430   6.598
  534   2HB   LYS  66          HB3       LYS  66 -13.850  -1.559   5.703
  535   1HG   LYS  66          HG2       LYS  66 -13.317  -3.351   7.353
  536   2HG   LYS  66          HG3       LYS  66 -12.397  -2.187   8.315
  537   1HD   LYS  66          HD2       LYS  66 -15.368  -1.971   7.656
  538   2HD   LYS  66          HD3       LYS  66 -14.691  -2.585   9.170
  539   1HE   LYS  66          HE2       LYS  66 -13.577  -0.387   9.560
  540   2HE   LYS  66          HE3       LYS  66 -14.316   0.240   8.078
  541   1HZ   LYS  66          HZ1       LYS  66 -15.820  -0.732  10.450
  542   2HZ   LYS  66          HZ2       LYS  66 -15.626   0.832  10.034
  543   3HZ   LYS  66          HZ3       LYS  66 -16.504  -0.159   9.081
  544    H    ILE  67           H        ILE  67  -9.751  -2.237   3.989
  545    HA   ILE  67           HA       ILE  67 -10.106  -0.007   2.261
  546    HB   ILE  67           HB       ILE  67  -8.428  -2.502   1.916
  547   1HG1  ILE  67          HG12      ILE  67  -7.858   0.245   3.116
  548   2HG1  ILE  67          HG13      ILE  67  -7.927  -1.290   3.983
  549   1HG2  ILE  67          HG21      ILE  67  -8.261   0.215   0.502
  550   2HG2  ILE  67          HG22      ILE  67  -7.104  -1.121   0.328
  551   3HG2  ILE  67          HG23      ILE  67  -8.737  -1.323  -0.262
  552   1HD1  ILE  67          HD11      ILE  67  -5.658  -0.760   3.762
  553   2HD1  ILE  67          HD12      ILE  67  -5.967  -2.072   2.602
  554   3HD1  ILE  67          HD13      ILE  67  -5.816  -0.384   2.037
  555    H    ASP  68           H        ASP  68 -10.783   0.144   0.149
  556    HA   ASP  68           HA       ASP  68 -12.587  -1.989  -0.924
  557   1HB   ASP  68          HB2       ASP  68 -13.995  -0.396   0.182
  558   2HB   ASP  68          HB3       ASP  68 -13.110   0.968  -0.510
  559    H    GLU  69           H        GLU  69 -12.528  -2.332  -3.061
  560    HA   GLU  69           HA       GLU  69 -10.182  -1.518  -4.472
  561   1HB   GLU  69          HB2       GLU  69 -11.046  -2.907  -6.278
  562   2HB   GLU  69          HB3       GLU  69 -11.116  -3.740  -4.726
  563   1HG   GLU  69          HG2       GLU  69 -13.491  -3.493  -4.567
  564   2HG   GLU  69          HG3       GLU  69 -13.541  -2.354  -5.910
  565    H    LYS  70           H        LYS  70 -13.169   0.136  -4.288
  566    HA   LYS  70           HA       LYS  70 -12.775   1.499  -6.932
  567   1HB   LYS  70          HB2       LYS  70 -15.168   1.796  -5.098
  568   2HB   LYS  70          HB3       LYS  70 -15.026   2.246  -6.789
  569   1HG   LYS  70          HG2       LYS  70 -15.221  -0.557  -5.633
  570   2HG   LYS  70          HG3       LYS  70 -16.428   0.302  -6.583
  571   1HD   LYS  70          HD2       LYS  70 -14.871   0.261  -8.560
  572   2HD   LYS  70          HD3       LYS  70 -13.727  -0.696  -7.601
  573   1HE   LYS  70          HE2       LYS  70 -15.696  -2.329  -7.196
  574   2HE   LYS  70          HE3       LYS  70 -16.541  -1.452  -8.476
  575   1HZ   LYS  70          HZ1       LYS  70 -15.421  -3.306  -9.453
  576   2HZ   LYS  70          HZ2       LYS  70 -14.553  -2.001  -9.912
  577   3HZ   LYS  70          HZ3       LYS  70 -14.006  -2.996  -8.713
  578    H    ASN  71           H        ASN  71 -12.037   1.849  -3.710
  579    HA   ASN  71           HA       ASN  71 -11.622   4.813  -3.870
  580   1HB   ASN  71          HB2       ASN  71 -11.732   2.821  -1.569
  581   2HB   ASN  71          HB3       ASN  71 -11.087   4.453  -1.386
  582   1HD2  ASN  71          HD21      ASN  71 -14.104   2.653  -2.187
  583   2HD2  ASN  71          HD22      ASN  71 -15.128   4.013  -1.721
  584    H    PHE  72           H        PHE  72  -9.386   5.274  -2.557
  585    HA   PHE  72           HA       PHE  72  -7.314   3.369  -3.466
  586   1HB   PHE  72          HB2       PHE  72  -5.958   5.152  -4.462
  587   2HB   PHE  72          HB3       PHE  72  -7.466   4.880  -5.300
  588    HD1  PHE  72           HD1      PHE  72  -8.704   6.712  -5.989
  589    HD2  PHE  72           HD2      PHE  72  -5.969   7.168  -2.680
  590    HE1  PHE  72           HE1      PHE  72  -9.096   9.154  -5.997
  591    HE2  PHE  72           HE2      PHE  72  -6.420   9.602  -2.649
  592    HZ   PHE  72           HZ       PHE  72  -7.986  10.609  -4.302
  593    H    VAL  73           H        VAL  73  -5.254   3.727  -2.735
  594    HA   VAL  73           HA       VAL  73  -4.975   4.740   0.077
  595    HB   VAL  73           HB       VAL  73  -3.849   2.363  -1.423
  596   1HG1  VAL  73          HG11      VAL  73  -2.514   1.721   0.513
  597   2HG1  VAL  73          HG12      VAL  73  -1.941   3.258  -0.129
  598   3HG1  VAL  73          HG13      VAL  73  -2.934   3.222   1.348
  599   1HG2  VAL  73          HG21      VAL  73  -6.046   2.012  -0.362
  600   2HG2  VAL  73          HG22      VAL  73  -4.784   1.026   0.385
  601   3HG2  VAL  73          HG23      VAL  73  -5.351   2.491   1.202
  602    H    VAL  74           H        VAL  74  -2.962   5.782   0.527
  603    HA   VAL  74           HA       VAL  74  -1.473   6.797  -1.873
  604    HB   VAL  74           HB       VAL  74  -1.950   8.255   0.745
  605   1HG1  VAL  74          HG11      VAL  74  -0.662   9.142  -1.877
  606   2HG1  VAL  74          HG12      VAL  74  -1.025  10.202  -0.498
  607   3HG1  VAL  74          HG13      VAL  74   0.169   8.920  -0.320
  608   1HG2  VAL  74          HG21      VAL  74  -3.205   8.702  -1.998
  609   2HG2  VAL  74          HG22      VAL  74  -4.050   8.169  -0.529
  610   3HG2  VAL  74          HG23      VAL  74  -3.362   9.791  -0.602
  611    H    VAL  75           H        VAL  75   0.684   6.548  -1.879
  612    HA   VAL  75           HA       VAL  75   2.029   5.404   0.539
  613    HB   VAL  75           HB       VAL  75   3.439   4.095  -0.796
  614   1HG1  VAL  75          HG11      VAL  75   0.682   3.728  -2.041
  615   2HG1  VAL  75          HG12      VAL  75   1.919   2.491  -1.736
  616   3HG1  VAL  75          HG13      VAL  75   1.070   3.260  -0.383
  617   1HG2  VAL  75          HG21      VAL  75   3.832   5.492  -2.779
  618   2HG2  VAL  75          HG22      VAL  75   3.340   3.857  -3.219
  619   3HG2  VAL  75          HG23      VAL  75   2.166   5.178  -3.328
  620    H    MET  76           H        MET  76   3.837   6.313   1.283
  621    HA   MET  76           HA       MET  76   5.127   8.564  -0.221
  622   1HB   MET  76          HB2       MET  76   4.162   8.646   2.671
  623   2HB   MET  76          HB3       MET  76   5.091   9.901   1.845
  624   1HG   MET  76          HG2       MET  76   3.192  10.111   0.181
  625   2HG   MET  76          HG3       MET  76   2.272   8.986   1.177
  626   1HE   MET  76          HE1       MET  76   3.618  12.580   0.694
  627   2HE   MET  76          HE2       MET  76   3.328  13.360   2.264
  628   3HE   MET  76          HE3       MET  76   4.612  12.146   2.104
  629    H    VAL  77           H        VAL  77   7.280   9.175   0.665
  630    HA   VAL  77           HA       VAL  77   8.631   7.006   2.189
  631    HB   VAL  77           HB       VAL  77  10.596   7.372   0.784
  632   1HG1  VAL  77          HG11      VAL  77   9.133   5.503   0.283
  633   2HG1  VAL  77          HG12      VAL  77   8.171   6.509  -0.826
  634   3HG1  VAL  77          HG13      VAL  77   9.868   6.138  -1.194
  635   1HG2  VAL  77          HG21      VAL  77  10.157   9.641  -0.054
  636   2HG2  VAL  77          HG22      VAL  77  10.503   8.500  -1.363
  637   3HG2  VAL  77          HG23      VAL  77   8.829   9.001  -1.062
  638    H    THR  78           H        THR  78  10.538   7.592   3.293
  639    HA   THR  78           HA       THR  78  11.149  10.472   3.519
  640    HB   THR  78           HB       THR  78  11.603   9.961   6.077
  641    HG1  THR  78           HG1      THR  78  10.856   7.822   6.033
  642   1HG2  THR  78          HG21      THR  78  10.180  11.729   5.221
  643   2HG2  THR  78          HG22      THR  78   8.836  10.578   5.005
  644   3HG2  THR  78          HG23      THR  78   9.452  10.942   6.634
  645    H    LYS  79           H        LYS  79  14.519   9.540   3.612
  646    HA   LYS  79           HA       LYS  79  12.531  10.913   2.021
  647   1HB   LYS  79          HB2       LYS  79  12.445  12.055   4.313
  648   2HB   LYS  79          HB3       LYS  79  14.080  12.595   4.041
  649   1HG   LYS  79          HG2       LYS  79  12.426  14.331   3.553
  650   2HG   LYS  79          HG3       LYS  79  13.367  13.943   2.117
  651   1HD   LYS  79          HD2       LYS  79  11.499  12.660   1.184
  652   2HD   LYS  79          HD3       LYS  79  10.582  12.831   2.703
  653   1HE   LYS  79          HE2       LYS  79  10.550  15.293   2.391
  654   2HE   LYS  79          HE3       LYS  79  11.468  15.120   0.888
  655   1HZ   LYS  79          HZ1       LYS  79   9.606  13.849  -0.030
  656   2HZ   LYS  79          HZ2       LYS  79   8.759  13.987   1.365
  657   3HZ   LYS  79          HZ3       LYS  79   9.079  15.310   0.466
  658    HA   PRO  80           HA       PRO  80  16.070   9.744   3.414
  659   1HB   PRO  80          HB2       PRO  80  18.698  10.251   3.262
  660   2HB   PRO  80          HB3       PRO  80  17.867   9.171   2.105
  661   1HG   PRO  80          HG2       PRO  80  18.565  12.103   1.730
  662   2HG   PRO  80          HG3       PRO  80  18.911  10.733   0.623
  663   1HD   PRO  80          HD2       PRO  80  16.721  12.338   0.315
  664   2HD   PRO  80          HD3       PRO  80  16.664  10.593  -0.057
  665    H    LYS  81           H        LYS  81  16.895  10.219   5.427
  666    HA   LYS  81           HA       LYS  81  17.215  11.212   7.402
  667   1HB   LYS  81          HB2       LYS  81  18.698  13.248   5.708
  668   2HB   LYS  81          HB3       LYS  81  18.802  13.108   7.466
  669   1HG   LYS  81          HG2       LYS  81  19.674  10.797   7.262
  670   2HG   LYS  81          HG3       LYS  81  19.549  10.897   5.502
  671   1HD   LYS  81          HD2       LYS  81  21.838  11.254   6.118
  672   2HD   LYS  81          HD3       LYS  81  21.182  12.771   5.483
  673   1HE   LYS  81          HE2       LYS  81  20.874  13.610   7.804
  674   2HE   LYS  81          HE3       LYS  81  21.477  12.076   8.444
  675   1HZ   LYS  81          HZ1       LYS  81  23.055  13.959   6.768
  676   2HZ   LYS  81          HZ2       LYS  81  23.224  13.760   8.379
  677   3HZ   LYS  81          HZ3       LYS  81  23.613  12.542   7.365
  678    H    ALA  82           H        ALA  82  15.961  13.784   5.257
  679    HA   ALA  82           HA       ALA  82  15.237  15.544   7.388
  680   1HB   ALA  82          HB1       ALA  82  15.657  16.317   5.123
  681   2HB   ALA  82          HB2       ALA  82  14.287  15.379   4.502
  682   3HB   ALA  82          HB3       ALA  82  14.004  16.747   5.602
  683    H    VAL  83           H        VAL  83  13.790  15.155   8.919
  684    HA   VAL  83           HA       VAL  83  11.021  14.323   8.233
  685    HB   VAL  83           HB       VAL  83  12.623  13.108  10.530
  686   1HG1  VAL  83          HG11      VAL  83   9.737  12.649   9.641
  687   2HG1  VAL  83          HG12      VAL  83  10.597  11.699  10.872
  688   3HG1  VAL  83          HG13      VAL  83  10.266  13.403  11.167
  689   1HG2  VAL  83          HG21      VAL  83  13.249  12.011   8.430
  690   2HG2  VAL  83          HG22      VAL  83  12.222  10.935   9.374
  691   3HG2  VAL  83          HG23      VAL  83  11.539  11.815   7.990
  692    H    SER  84           H        SER  84   9.494  15.416   9.405
  693    HA   SER  84           HA       SER  84  10.382  17.394  11.472
  694   1HB   SER  84          HB2       SER  84   8.490  17.887   9.144
  695   2HB   SER  84          HB3       SER  84   8.851  19.029  10.451
  696    HG   SER  84           HG       SER  84  10.121  19.418   8.571
  697    H    THR  85           H        THR  85   8.874  18.024  13.003
  698    HA   THR  85           HA       THR  85   6.183  16.887  13.111
  699    HB   THR  85           HB       THR  85   7.544  15.055  14.005
  700    HG1  THR  85           HG1      THR  85   5.484  15.371  14.800
  701   1HG2  THR  85          HG21      THR  85   8.687  15.180  16.135
  702   2HG2  THR  85          HG22      THR  85   9.436  16.317  15.007
  703   3HG2  THR  85          HG23      THR  85   8.345  16.912  16.281
  Start of MODEL    5
    1   1H    GLY   1           H1       GLY   1 -12.505 -13.834   0.921
    2   2H    GLY   1           H2       GLY   1 -12.636 -15.465   0.863
    3   3H    GLY   1           H3       GLY   1 -13.770 -14.526   0.145
    4   1HA   GLY   1          HA2       GLY   1 -12.313 -15.476  -1.519
    5   2HA   GLY   1          HA3       GLY   1 -12.195 -13.708  -1.468
    6    H    SER   2           H        SER   2 -10.215 -15.743  -2.369
    7    HA   SER   2           HA       SER   2  -8.089 -16.033  -0.471
    8   1HB   SER   2          HB2       SER   2  -6.772 -16.705  -2.455
    9   2HB   SER   2          HB3       SER   2  -8.349 -17.508  -2.380
   10    HG   SER   2           HG       SER   2  -7.979 -16.752  -4.472
   11    H    HIS   3           H        HIS   3  -8.963 -13.319  -2.451
   12    HA   HIS   3           HA       HIS   3  -6.642 -11.747  -1.562
   13   1HB   HIS   3          HB2       HIS   3  -6.002 -11.111  -3.816
   14   2HB   HIS   3          HB3       HIS   3  -5.844 -12.845  -3.609
   15    HD1  HIS   3           HD1      HIS   3  -7.999 -14.324  -4.762
   16    HD2  HIS   3           HD2      HIS   3  -7.445 -10.290  -5.852
   17    HE1  HIS   3           HE1      HIS   3  -9.307 -13.977  -6.924
   18    H    MET   4           H        MET   4  -6.840  -9.474  -2.133
   19    HA   MET   4           HA       MET   4  -9.411  -8.520  -3.227
   20   1HB   MET   4          HB2       MET   4  -9.703  -6.811  -1.577
   21   2HB   MET   4          HB3       MET   4  -9.678  -8.370  -0.757
   22   1HG   MET   4          HG2       MET   4  -7.321  -7.978  -0.086
   23   2HG   MET   4          HG3       MET   4  -7.334  -6.417  -0.900
   24   1HE   MET   4          HE1       MET   4  -9.706  -4.246   1.327
   25   2HE   MET   4          HE2       MET   4  -8.593  -4.256  -0.060
   26   3HE   MET   4          HE3       MET   4 -10.153  -5.111  -0.152
   27    H    GLN   5           H        GLN   5  -9.227  -6.469  -4.251
   28    HA   GLN   5           HA       GLN   5  -6.430  -5.774  -5.016
   29   1HB   GLN   5          HB2       GLN   5  -7.869  -6.813  -6.728
   30   2HB   GLN   5          HB3       GLN   5  -9.037  -5.491  -6.547
   31   1HG   GLN   5          HG2       GLN   5  -7.204  -3.890  -7.265
   32   2HG   GLN   5          HG3       GLN   5  -6.172  -5.294  -7.569
   33   1HE2  GLN   5          HE21      GLN   5  -6.835  -6.790  -9.348
   34   2HE2  GLN   5          HE22      GLN   5  -7.910  -6.174 -10.596
   35    H    VAL   6           H        VAL   6  -5.754  -3.647  -5.077
   36    HA   VAL   6           HA       VAL   6  -7.594  -1.492  -4.145
   37    HB   VAL   6           HB       VAL   6  -4.852  -1.993  -2.916
   38   1HG1  VAL   6          HG11      VAL   6  -5.580   0.378  -2.837
   39   2HG1  VAL   6          HG12      VAL   6  -7.132  -0.114  -2.136
   40   3HG1  VAL   6          HG13      VAL   6  -5.612  -0.341  -1.238
   41   1HG2  VAL   6          HG21      VAL   6  -6.063  -2.589  -0.817
   42   2HG2  VAL   6          HG22      VAL   6  -7.592  -2.592  -1.717
   43   3HG2  VAL   6          HG23      VAL   6  -6.318  -3.778  -2.088
   44    H    THR   7           H        THR   7  -7.031   0.537  -4.826
   45    HA   THR   7           HA       THR   7  -5.076   0.800  -7.053
   46    HB   THR   7           HB       THR   7  -7.332   2.610  -6.094
   47    HG1  THR   7           HG1      THR   7  -8.511   1.797  -7.718
   48   1HG2  THR   7          HG21      THR   7  -7.131   3.634  -8.365
   49   2HG2  THR   7          HG22      THR   7  -5.698   3.887  -7.363
   50   3HG2  THR   7          HG23      THR   7  -5.673   2.657  -8.652
   51    H    LEU   8           H        LEU   8  -3.239   1.905  -6.746
   52    HA   LEU   8           HA       LEU   8  -2.816   3.328  -4.140
   53   1HB   LEU   8          HB2       LEU   8  -0.700   1.875  -5.737
   54   2HB   LEU   8          HB3       LEU   8  -0.614   2.468  -4.087
   55    HG   LEU   8           HG       LEU   8  -2.006   0.010  -5.182
   56   1HD1  LEU   8          HD11      LEU   8   0.400  -0.061  -4.628
   57   2HD1  LEU   8          HD12      LEU   8   0.049   0.411  -2.964
   58   3HD1  LEU   8          HD13      LEU   8  -0.549  -1.141  -3.602
   59   1HD2  LEU   8          HD21      LEU   8  -3.518   1.003  -3.450
   60   2HD2  LEU   8          HD22      LEU   8  -2.768  -0.481  -2.859
   61   3HD2  LEU   8          HD23      LEU   8  -2.164   1.106  -2.320
   62    H    LYS   9           H        LYS   9  -2.175   5.420  -4.332
   63    HA   LYS   9           HA       LYS   9  -0.839   6.274  -6.856
   64   1HB   LYS   9          HB2       LYS   9  -1.792   8.411  -6.763
   65   2HB   LYS   9          HB3       LYS   9  -3.103   7.245  -6.624
   66   1HG   LYS   9          HG2       LYS   9  -3.087   7.584  -4.133
   67   2HG   LYS   9          HG3       LYS   9  -1.898   8.885  -4.373
   68   1HD   LYS   9          HD2       LYS   9  -4.713   8.786  -5.544
   69   2HD   LYS   9          HD3       LYS   9  -4.214   9.735  -4.137
   70   1HE   LYS   9          HE2       LYS   9  -2.623  11.011  -5.564
   71   2HE   LYS   9          HE3       LYS   9  -3.152  10.081  -6.975
   72   1HZ   LYS   9          HZ1       LYS   9  -4.902  11.850  -5.350
   73   2HZ   LYS   9          HZ2       LYS   9  -4.328  12.193  -6.837
   74   3HZ   LYS   9          HZ3       LYS   9  -5.395  10.975  -6.643
   75    H    THR  10           H        THR  10   0.831   7.758  -6.794
   76    HA   THR  10           HA       THR  10   2.499   7.366  -4.379
   77    HB   THR  10           HB       THR  10   4.356   7.940  -5.838
   78    HG1  THR  10           HG1      THR  10   3.865   8.280  -8.082
   79   1HG2  THR  10          HG21      THR  10   4.271   6.113  -7.421
   80   2HG2  THR  10          HG22      THR  10   3.486   5.598  -5.917
   81   3HG2  THR  10          HG23      THR  10   2.500   6.042  -7.332
   82    H    LEU  11           H        LEU  11   3.872   8.979  -3.523
   83    HA   LEU  11           HA       LEU  11   3.091  11.701  -3.368
   84   1HB   LEU  11          HB2       LEU  11   5.063  12.056  -2.192
   85   2HB   LEU  11          HB3       LEU  11   4.579  10.421  -1.789
   86    HG   LEU  11           HG       LEU  11   6.817  11.232  -3.710
   87   1HD1  LEU  11          HD11      LEU  11   8.307  10.356  -1.986
   88   2HD1  LEU  11          HD12      LEU  11   7.305  11.662  -1.338
   89   3HD1  LEU  11          HD13      LEU  11   6.918   9.972  -0.946
   90   1HD2  LEU  11          HD21      LEU  11   5.962   8.452  -2.792
   91   2HD2  LEU  11          HD22      LEU  11   5.962   9.077  -4.464
   92   3HD2  LEU  11          HD23      LEU  11   7.486   8.826  -3.621
   93    H    GLN  12           H        GLN  12   3.996  10.290  -6.183
   94    HA   GLN  12           HA       GLN  12   5.025  12.818  -7.375
   95   1HB   GLN  12          HB2       GLN  12   5.769   9.952  -8.083
   96   2HB   GLN  12          HB3       GLN  12   6.258  11.372  -9.005
   97   1HG   GLN  12          HG2       GLN  12   7.041  10.882  -6.097
   98   2HG   GLN  12          HG3       GLN  12   8.022  10.469  -7.491
   99   1HE2  GLN  12          HE21      GLN  12   6.622  13.283  -5.708
  100   2HE2  GLN  12          HE22      GLN  12   7.805  14.412  -6.361
  101    H    GLN  13           H        GLN  13   2.277  11.475  -6.971
  102    HA   GLN  13           HA       GLN  13   0.294  11.512  -8.011
  103   1HB   GLN  13          HB2       GLN  13   1.623  13.634  -9.737
  104   2HB   GLN  13          HB3       GLN  13  -0.107  13.353  -9.579
  105   1HG   GLN  13          HG2       GLN  13   0.369  15.189  -8.173
  106   2HG   GLN  13          HG3       GLN  13   0.052  13.817  -7.120
  107   1HE2  GLN  13          HE21      GLN  13   1.436  13.903  -5.332
  108   2HE2  GLN  13          HE22      GLN  13   3.131  14.370  -5.436
  109    H    GLN  14           H        GLN  14   1.462   9.266  -8.715
  110    HA   GLN  14           HA       GLN  14   0.350   8.751 -11.417
  111   1HB   GLN  14          HB2       GLN  14   2.861   8.768 -11.518
  112   2HB   GLN  14          HB3       GLN  14   2.900   7.590 -10.196
  113   1HG   GLN  14          HG2       GLN  14   3.305   6.521 -12.337
  114   2HG   GLN  14          HG3       GLN  14   1.847   5.906 -11.575
  115   1HE2  GLN  14          HE21      GLN  14   3.133   7.556 -14.412
  116   2HE2  GLN  14          HE22      GLN  14   1.587   7.686 -15.240
  117    H    THR  15           H        THR  15  -0.670   6.635 -11.528
  118    HA   THR  15           HA       THR  15  -1.198   5.390  -8.870
  119    HB   THR  15           HB       THR  15  -3.417   5.856 -10.852
  120    HG1  THR  15           HG1      THR  15  -3.952   7.700  -9.742
  121   1HG2  THR  15          HG21      THR  15  -3.407   5.459  -7.834
  122   2HG2  THR  15          HG22      THR  15  -4.841   5.718  -8.839
  123   3HG2  THR  15          HG23      THR  15  -3.862   4.247  -9.037
  124    H    PHE  16           H        PHE  16  -1.572   3.234  -8.784
  125    HA   PHE  16           HA       PHE  16  -1.705   1.570 -11.236
  126   1HB   PHE  16          HB2       PHE  16   0.225   0.245 -10.517
  127   2HB   PHE  16          HB3       PHE  16   0.687   1.899 -10.851
  128    HD1  PHE  16           HD1      PHE  16   0.803  -0.781  -8.395
  129    HD2  PHE  16           HD2      PHE  16   0.998   3.535  -8.828
  130    HE1  PHE  16           HE1      PHE  16   1.896  -0.592  -6.220
  131    HE2  PHE  16           HE2      PHE  16   1.997   3.690  -6.571
  132    HZ   PHE  16           HZ       PHE  16   2.480   1.627  -5.268
  133    H    LYS  17           H        LYS  17  -2.179  -0.754 -10.648
  134    HA   LYS  17           HA       LYS  17  -3.697  -0.949  -8.072
  135   1HB   LYS  17          HB2       LYS  17  -4.463  -1.779 -10.886
  136   2HB   LYS  17          HB3       LYS  17  -5.281  -2.405  -9.442
  137   1HG   LYS  17          HG2       LYS  17  -5.933  -0.209  -8.730
  138   2HG   LYS  17          HG3       LYS  17  -4.953   0.579  -9.968
  139   1HD   LYS  17          HD2       LYS  17  -7.187   0.718 -10.686
  140   2HD   LYS  17          HD3       LYS  17  -6.341  -0.455 -11.714
  141   1HE   LYS  17          HE2       LYS  17  -8.443  -1.478 -11.271
  142   2HE   LYS  17          HE3       LYS  17  -7.314  -2.286 -10.187
  143   1HZ   LYS  17          HZ1       LYS  17  -8.106  -0.565  -8.469
  144   2HZ   LYS  17          HZ2       LYS  17  -9.305  -0.206  -9.498
  145   3HZ   LYS  17          HZ3       LYS  17  -9.204  -1.722  -8.897
  146    H    ILE  18           H        ILE  18  -3.688  -2.641  -6.941
  147    HA   ILE  18           HA       ILE  18  -1.712  -4.837  -7.422
  148    HB   ILE  18           HB       ILE  18  -2.086  -2.850  -5.124
  149   1HG1  ILE  18          HG12      ILE  18  -0.769  -1.849  -6.822
  150   2HG1  ILE  18          HG13      ILE  18   0.293  -2.302  -5.506
  151   1HG2  ILE  18          HG21      ILE  18  -1.646  -4.855  -3.965
  152   2HG2  ILE  18          HG22      ILE  18  -0.423  -5.366  -5.146
  153   3HG2  ILE  18          HG23      ILE  18  -0.107  -4.003  -4.042
  154   1HD1  ILE  18          HD11      ILE  18   0.940  -4.382  -6.856
  155   2HD1  ILE  18          HD12      ILE  18   0.066  -3.658  -8.210
  156   3HD1  ILE  18          HD13      ILE  18   1.464  -2.828  -7.517
  157    H    ASP  19           H        ASP  19  -2.073  -6.748  -6.155
  158    HA   ASP  19           HA       ASP  19  -4.496  -6.845  -4.504
  159   1HB   ASP  19          HB2       ASP  19  -5.399  -8.796  -5.491
  160   2HB   ASP  19          HB3       ASP  19  -5.212  -7.596  -6.757
  161    H    ILE  20           H        ILE  20  -4.359  -8.118  -2.785
  162    HA   ILE  20           HA       ILE  20  -2.282 -10.130  -2.390
  163    HB   ILE  20           HB       ILE  20  -1.400  -9.287  -0.352
  164   1HG1  ILE  20          HG12      ILE  20  -3.130  -8.048   0.680
  165   2HG1  ILE  20          HG13      ILE  20  -1.711  -7.038   0.534
  166   1HG2  ILE  20          HG21      ILE  20  -1.051  -7.107  -2.438
  167   2HG2  ILE  20          HG22      ILE  20   0.045  -7.489  -1.089
  168   3HG2  ILE  20          HG23      ILE  20  -0.200  -8.662  -2.378
  169   1HD1  ILE  20          HD11      ILE  20  -2.826  -5.929  -1.487
  170   2HD1  ILE  20          HD12      ILE  20  -4.299  -6.839  -1.041
  171   3HD1  ILE  20          HD13      ILE  20  -3.604  -5.670   0.080
  172    H    ASP  21           H        ASP  21  -2.663 -11.210  -0.136
  173    HA   ASP  21           HA       ASP  21  -5.363 -12.082   0.123
  174   1HB   ASP  21          HB2       ASP  21  -3.310 -13.326   0.767
  175   2HB   ASP  21          HB3       ASP  21  -3.086 -12.219   2.115
  176    HA   PRO  22           HA       PRO  22  -7.008  -8.549   2.338
  177   1HB   PRO  22          HB2       PRO  22  -9.363  -9.557   3.341
  178   2HB   PRO  22          HB3       PRO  22  -9.098  -9.198   1.608
  179   1HG   PRO  22          HG2       PRO  22  -8.789 -11.870   3.009
  180   2HG   PRO  22          HG3       PRO  22  -9.713 -11.501   1.513
  181   1HD   PRO  22          HD2       PRO  22  -7.218 -12.505   1.362
  182   2HD   PRO  22          HD3       PRO  22  -7.730 -11.192   0.262
  183    H    GLU  23           H        GLU  23  -6.181 -11.484   4.048
  184    HA   GLU  23           HA       GLU  23  -6.300 -10.098   6.660
  185   1HB   GLU  23          HB2       GLU  23  -7.731 -12.092   6.225
  186   2HB   GLU  23          HB3       GLU  23  -6.271 -13.074   6.031
  187   1HG   GLU  23          HG2       GLU  23  -5.683 -12.846   8.300
  188   2HG   GLU  23          HG3       GLU  23  -6.684 -11.398   8.509
  189    H    GLU  24           H        GLU  24  -4.037 -10.588   4.304
  190    HA   GLU  24           HA       GLU  24  -1.743 -11.005   6.134
  191   1HB   GLU  24          HB2       GLU  24  -2.039 -10.203   3.229
  192   2HB   GLU  24          HB3       GLU  24  -0.542  -9.867   4.079
  193   1HG   GLU  24          HG2       GLU  24  -1.713 -12.665   4.054
  194   2HG   GLU  24          HG3       GLU  24  -0.718 -12.047   2.736
  195    H    THR  25           H        THR  25  -0.218  -9.247   6.550
  196    HA   THR  25           HA       THR  25  -1.616  -6.743   7.298
  197    HB   THR  25           HB       THR  25   0.384  -6.181   8.524
  198    HG1  THR  25           HG1      THR  25   2.148  -7.439   8.497
  199   1HG2  THR  25          HG21      THR  25   0.413  -7.946  10.200
  200   2HG2  THR  25          HG22      THR  25  -1.252  -7.713   9.637
  201   3HG2  THR  25          HG23      THR  25  -0.306  -9.103   9.066
  202    H    VAL  26           H        VAL  26  -0.392  -4.678   7.012
  203    HA   VAL  26           HA       VAL  26  -0.001  -4.081   4.258
  204    HB   VAL  26           HB       VAL  26   1.022  -2.552   6.664
  205   1HG1  VAL  26          HG11      VAL  26   0.666  -1.620   3.793
  206   2HG1  VAL  26          HG12      VAL  26   0.917  -0.548   5.189
  207   3HG1  VAL  26          HG13      VAL  26   2.179  -1.679   4.724
  208   1HG2  VAL  26          HG21      VAL  26  -1.048  -1.223   6.343
  209   2HG2  VAL  26          HG22      VAL  26  -1.525  -2.270   4.992
  210   3HG2  VAL  26          HG23      VAL  26  -1.435  -2.907   6.649
  211    H    LYS  27           H        LYS  27   2.311  -5.501   6.483
  212    HA   LYS  27           HA       LYS  27   4.779  -5.075   5.206
  213   1HB   LYS  27          HB2       LYS  27   4.399  -6.356   7.279
  214   2HB   LYS  27          HB3       LYS  27   3.672  -7.668   6.362
  215   1HG   LYS  27          HG2       LYS  27   6.477  -6.777   5.660
  216   2HG   LYS  27          HG3       LYS  27   6.210  -7.699   7.142
  217   1HD   LYS  27          HD2       LYS  27   5.139  -9.522   5.878
  218   2HD   LYS  27          HD3       LYS  27   5.396  -8.641   4.363
  219   1HE   LYS  27          HE2       LYS  27   7.845  -8.667   4.761
  220   2HE   LYS  27          HE3       LYS  27   7.590  -9.594   6.251
  221   1HZ   LYS  27          HZ1       LYS  27   6.633 -11.376   4.909
  222   2HZ   LYS  27          HZ2       LYS  27   6.767 -10.488   3.537
  223   3HZ   LYS  27          HZ3       LYS  27   8.113 -11.016   4.310
  224    H    ALA  28           H        ALA  28   2.193  -7.355   4.182
  225    HA   ALA  28           HA       ALA  28   3.799  -8.408   2.005
  226   1HB   ALA  28          HB1       ALA  28   2.025  -9.696   3.202
  227   2HB   ALA  28          HB2       ALA  28   0.795  -8.572   2.579
  228   3HB   ALA  28          HB3       ALA  28   1.700  -9.615   1.455
  229    H    LEU  29           H        LEU  29   1.212  -5.952   2.185
  230    HA   LEU  29           HA       LEU  29   0.932  -5.403  -0.624
  231   1HB   LEU  29          HB2       LEU  29  -0.819  -4.835   0.907
  232   2HB   LEU  29          HB3       LEU  29   0.298  -4.056   2.023
  233    HG   LEU  29           HG       LEU  29   0.664  -2.236   0.480
  234   1HD1  LEU  29          HD11      LEU  29  -1.542  -3.554  -1.189
  235   2HD1  LEU  29          HD12      LEU  29  -0.924  -1.907  -1.438
  236   3HD1  LEU  29          HD13      LEU  29   0.139  -3.294  -1.702
  237   1HD2  LEU  29          HD21      LEU  29  -1.492  -1.130   0.787
  238   2HD2  LEU  29          HD22      LEU  29  -2.283  -2.694   1.040
  239   3HD2  LEU  29          HD23      LEU  29  -1.096  -2.095   2.218
  240    H    LYS  30           H        LYS  30   3.030  -4.048   1.967
  241    HA   LYS  30           HA       LYS  30   4.235  -2.237   0.015
  242   1HB   LYS  30          HB2       LYS  30   4.268  -0.897   1.658
  243   2HB   LYS  30          HB3       LYS  30   3.770  -2.094   2.793
  244   1HG   LYS  30          HG2       LYS  30   6.690  -1.564   2.097
  245   2HG   LYS  30          HG3       LYS  30   5.780  -0.776   3.390
  246   1HD   LYS  30          HD2       LYS  30   5.267  -3.127   4.268
  247   2HD   LYS  30          HD3       LYS  30   6.553  -3.684   3.163
  248   1HE   LYS  30          HE2       LYS  30   8.129  -2.059   4.233
  249   2HE   LYS  30          HE3       LYS  30   6.841  -1.507   5.300
  250   1HZ   LYS  30          HZ1       LYS  30   7.861  -4.298   5.299
  251   2HZ   LYS  30          HZ2       LYS  30   8.319  -3.140   6.360
  252   3HZ   LYS  30          HZ3       LYS  30   6.774  -3.651   6.351
  253    H    GLU  31           H        GLU  31   5.293  -5.295   1.411
  254    HA   GLU  31           HA       GLU  31   7.941  -5.038   0.341
  255   1HB   GLU  31          HB2       GLU  31   8.331  -7.199   0.841
  256   2HB   GLU  31          HB3       GLU  31   7.066  -6.824   1.999
  257   1HG   GLU  31          HG2       GLU  31   5.412  -7.952   0.537
  258   2HG   GLU  31          HG3       GLU  31   6.694  -8.360  -0.609
  259    H    LYS  32           H        LYS  32   4.897  -6.150  -1.187
  260    HA   LYS  32           HA       LYS  32   6.237  -7.191  -3.477
  261   1HB   LYS  32          HB2       LYS  32   4.131  -7.803  -4.216
  262   2HB   LYS  32          HB3       LYS  32   3.958  -7.763  -2.472
  263   1HG   LYS  32          HG2       LYS  32   2.058  -6.633  -2.959
  264   2HG   LYS  32          HG3       LYS  32   3.147  -5.269  -2.901
  265   1HD   LYS  32          HD2       LYS  32   1.705  -5.083  -4.836
  266   2HD   LYS  32          HD3       LYS  32   3.320  -5.260  -5.388
  267   1HE   LYS  32          HE2       LYS  32   1.690  -6.580  -6.728
  268   2HE   LYS  32          HE3       LYS  32   3.025  -7.524  -6.087
  269   1HZ   LYS  32          HZ1       LYS  32   0.300  -7.492  -4.875
  270   2HZ   LYS  32          HZ2       LYS  32   0.883  -8.662  -5.841
  271   3HZ   LYS  32          HZ3       LYS  32   1.561  -8.413  -4.387
  272    H    ILE  33           H        ILE  33   4.941  -3.901  -2.935
  273    HA   ILE  33           HA       ILE  33   5.111  -3.232  -5.728
  274    HB   ILE  33           HB       ILE  33   4.535  -1.024  -5.200
  275   1HG1  ILE  33          HG12      ILE  33   3.961  -0.530  -2.660
  276   2HG1  ILE  33          HG13      ILE  33   5.297  -1.633  -2.343
  277   1HG2  ILE  33          HG21      ILE  33   2.952  -2.963  -3.491
  278   2HG2  ILE  33          HG22      ILE  33   2.390  -1.417  -4.115
  279   3HG2  ILE  33          HG23      ILE  33   2.798  -2.723  -5.243
  280   1HD1  ILE  33          HD11      ILE  33   6.825  -0.157  -3.594
  281   2HD1  ILE  33          HD12      ILE  33   5.456   0.827  -4.161
  282   3HD1  ILE  33          HD13      ILE  33   5.896   0.826  -2.453
  283    H    GLU  34           H        GLU  34   7.553  -3.294  -3.236
  284    HA   GLU  34           HA       GLU  34   9.461  -1.528  -4.480
  285   1HB   GLU  34          HB2       GLU  34   9.607  -2.507  -2.154
  286   2HB   GLU  34          HB3       GLU  34  10.068  -4.049  -2.897
  287   1HG   GLU  34          HG2       GLU  34  12.018  -2.835  -3.985
  288   2HG   GLU  34          HG3       GLU  34  11.565  -1.396  -3.078
  289    H    SER  35           H        SER  35   8.470  -4.899  -5.205
  290    HA   SER  35           HA       SER  35  10.543  -5.407  -7.152
  291   1HB   SER  35          HB2       SER  35   7.751  -6.599  -6.985
  292   2HB   SER  35          HB3       SER  35   9.118  -7.231  -7.915
  293    HG   SER  35           HG       SER  35   8.901  -8.297  -5.897
  294    H    GLU  36           H        GLU  36   7.800  -3.299  -7.294
  295    HA   GLU  36           HA       GLU  36   7.652  -3.377 -10.275
  296   1HB   GLU  36          HB2       GLU  36   5.945  -1.919  -8.226
  297   2HB   GLU  36          HB3       GLU  36   5.644  -2.003  -9.957
  298   1HG   GLU  36          HG2       GLU  36   5.519  -4.306  -7.961
  299   2HG   GLU  36          HG3       GLU  36   4.164  -3.525  -8.759
  300    H    LYS  37           H        LYS  37   8.568  -1.251  -7.602
  301    HA   LYS  37           HA       LYS  37   9.371   0.911  -9.538
  302   1HB   LYS  37          HB2       LYS  37   8.040   1.177  -6.814
  303   2HB   LYS  37          HB3       LYS  37   8.584   2.514  -7.849
  304   1HG   LYS  37          HG2       LYS  37   7.045   1.754  -9.640
  305   2HG   LYS  37          HG3       LYS  37   6.417   0.489  -8.562
  306   1HD   LYS  37          HD2       LYS  37   5.721   2.182  -6.930
  307   2HD   LYS  37          HD3       LYS  37   6.309   3.476  -7.986
  308   1HE   LYS  37          HE2       LYS  37   4.080   1.490  -8.630
  309   2HE   LYS  37          HE3       LYS  37   3.868   3.171  -8.138
  310   1HZ   LYS  37          HZ1       LYS  37   5.190   2.302 -10.650
  311   2HZ   LYS  37          HZ2       LYS  37   3.708   2.967 -10.537
  312   3HZ   LYS  37          HZ3       LYS  37   5.027   3.858 -10.172
  313    H    GLY  38           H        GLY  38  10.563  -1.078  -7.096
  314   1HA   GLY  38          HA2       GLY  38  12.773  -1.427  -6.655
  315   2HA   GLY  38          HA3       GLY  38  13.192   0.062  -7.476
  316    H    LYS  39           H        LYS  39  14.359  -1.027  -5.165
  317    HA   LYS  39           HA       LYS  39  13.933   0.240  -2.711
  318   1HB   LYS  39          HB2       LYS  39  15.645  -1.548  -3.489
  319   2HB   LYS  39          HB3       LYS  39  16.601  -0.223  -4.123
  320   1HG   LYS  39          HG2       LYS  39  17.567  -0.722  -2.052
  321   2HG   LYS  39          HG3       LYS  39  16.648   0.749  -1.767
  322   1HD   LYS  39          HD2       LYS  39  16.268  -0.677   0.119
  323   2HD   LYS  39          HD3       LYS  39  14.780  -0.712  -0.836
  324   1HE   LYS  39          HE2       LYS  39  15.671  -2.849  -1.934
  325   2HE   LYS  39          HE3       LYS  39  16.980  -2.828  -0.746
  326   1HZ   LYS  39          HZ1       LYS  39  14.076  -2.951  -0.155
  327   2HZ   LYS  39          HZ2       LYS  39  15.102  -4.213  -0.043
  328   3HZ   LYS  39          HZ3       LYS  39  15.260  -2.957   1.001
  329    H    ASP  40           H        ASP  40  15.209   1.602  -5.668
  330    HA   ASP  40           HA       ASP  40  16.446   3.955  -4.668
  331   1HB   ASP  40          HB2       ASP  40  16.761   2.907  -6.911
  332   2HB   ASP  40          HB3       ASP  40  15.146   3.445  -7.371
  333    H    ALA  41           H        ALA  41  13.033   3.290  -5.045
  334    HA   ALA  41           HA       ALA  41  12.384   6.158  -4.460
  335   1HB   ALA  41          HB1       ALA  41  11.051   4.349  -6.513
  336   2HB   ALA  41          HB2       ALA  41  10.536   5.995  -6.080
  337   3HB   ALA  41          HB3       ALA  41  12.109   5.734  -6.858
  338    H    PHE  42           H        PHE  42  11.462   2.759  -3.958
  339    HA   PHE  42           HA       PHE  42   9.649   3.636  -1.756
  340   1HB   PHE  42          HB2       PHE  42   8.943   1.617  -3.915
  341   2HB   PHE  42          HB3       PHE  42   8.026   1.907  -2.441
  342    HD1  PHE  42           HD1      PHE  42   8.983   3.332  -5.712
  343    HD2  PHE  42           HD2      PHE  42   6.636   3.893  -2.142
  344    HE1  PHE  42           HE1      PHE  42   7.803   5.238  -6.787
  345    HE2  PHE  42           HE2      PHE  42   5.450   5.792  -3.221
  346    HZ   PHE  42           HZ       PHE  42   6.058   6.481  -5.535
  347    HA   PRO  43           HA       PRO  43  12.708   0.257  -0.650
  348   1HB   PRO  43          HB2       PRO  43  13.936   1.428   1.491
  349   2HB   PRO  43          HB3       PRO  43  14.449   1.686  -0.203
  350   1HG   PRO  43          HG2       PRO  43  12.637   3.424   1.479
  351   2HG   PRO  43          HG3       PRO  43  14.044   3.928   0.480
  352   1HD   PRO  43          HD2       PRO  43  11.482   4.128  -0.423
  353   2HD   PRO  43          HD3       PRO  43  12.823   3.677  -1.517
  354    H    VAL  44           H        VAL  44  11.820  -1.358   0.518
  355    HA   VAL  44           HA       VAL  44   9.611  -1.226   2.280
  356    HB   VAL  44           HB       VAL  44  11.852  -3.238   1.955
  357   1HG1  VAL  44          HG11      VAL  44  10.895  -3.632   4.221
  358   2HG1  VAL  44          HG12      VAL  44   9.267  -3.678   3.496
  359   3HG1  VAL  44          HG13      VAL  44  10.468  -4.910   3.081
  360   1HG2  VAL  44          HG21      VAL  44  10.248  -2.829   0.064
  361   2HG2  VAL  44          HG22      VAL  44  10.104  -4.459   0.726
  362   3HG2  VAL  44          HG23      VAL  44   8.908  -3.194   1.145
  363    H    ALA  45           H        ALA  45  12.973  -0.595   3.045
  364    HA   ALA  45           HA       ALA  45  12.726  -0.655   5.912
  365   1HB   ALA  45          HB1       ALA  45  14.751   0.701   4.073
  366   2HB   ALA  45          HB2       ALA  45  14.980   0.365   5.800
  367   3HB   ALA  45          HB3       ALA  45  14.846  -0.981   4.649
  368    H    GLY  46           H        GLY  46  11.482   1.695   3.733
  369   1HA   GLY  46          HA2       GLY  46  11.080   3.631   5.944
  370   2HA   GLY  46          HA3       GLY  46  12.094   4.165   4.607
  371    H    GLN  47           H        GLN  47   9.800   2.275   3.049
  372    HA   GLN  47           HA       GLN  47   8.224   4.590   2.296
  373   1HB   GLN  47          HB2       GLN  47   6.938   3.177   0.902
  374   2HB   GLN  47          HB3       GLN  47   8.648   2.814   0.693
  375   1HG   GLN  47          HG2       GLN  47   8.434   0.745   1.947
  376   2HG   GLN  47          HG3       GLN  47   6.809   1.168   2.473
  377   1HE2  GLN  47          HE21      GLN  47   8.680  -0.120  -0.297
  378   2HE2  GLN  47          HE22      GLN  47   7.214  -0.679  -1.076
  379    H    LYS  48           H        LYS  48   5.951   4.869   2.508
  380    HA   LYS  48           HA       LYS  48   4.657   3.823   4.964
  381   1HB   LYS  48          HB2       LYS  48   6.078   5.941   5.354
  382   2HB   LYS  48          HB3       LYS  48   4.991   6.787   4.271
  383   1HG   LYS  48          HG2       LYS  48   4.477   7.213   6.629
  384   2HG   LYS  48          HG3       LYS  48   3.120   6.461   5.807
  385   1HD   LYS  48          HD2       LYS  48   3.473   5.555   8.087
  386   2HD   LYS  48          HD3       LYS  48   3.565   4.323   6.843
  387   1HE   LYS  48          HE2       LYS  48   5.258   3.915   8.511
  388   2HE   LYS  48          HE3       LYS  48   6.029   4.298   6.973
  389   1HZ   LYS  48          HZ1       LYS  48   6.587   6.470   7.786
  390   2HZ   LYS  48          HZ2       LYS  48   5.642   6.308   9.129
  391   3HZ   LYS  48          HZ3       LYS  48   7.005   5.431   8.953
  392    H    LEU  49           H        LEU  49   2.321   4.238   5.005
  393    HA   LEU  49           HA       LEU  49   1.082   4.850   2.365
  394   1HB   LEU  49          HB2       LEU  49   0.715   2.274   3.970
  395   2HB   LEU  49          HB3       LEU  49  -0.424   2.857   2.769
  396    HG   LEU  49           HG       LEU  49   1.682   2.946   1.183
  397   1HD1  LEU  49          HD11      LEU  49   3.222   1.100   1.515
  398   2HD1  LEU  49          HD12      LEU  49   3.344   2.147   2.919
  399   3HD1  LEU  49          HD13      LEU  49   2.427   0.638   3.041
  400   1HD2  LEU  49          HD21      LEU  49   0.246   0.371   1.938
  401   2HD2  LEU  49          HD22      LEU  49  -0.319   1.599   0.785
  402   3HD2  LEU  49          HD23      LEU  49   1.130   0.658   0.420
  403    H    ILE  50           H        ILE  50  -1.073   5.468   2.446
  404    HA   ILE  50           HA       ILE  50  -2.493   5.795   5.053
  405    HB   ILE  50           HB       ILE  50  -1.812   7.972   3.034
  406   1HG1  ILE  50          HG12      ILE  50  -0.241   7.759   4.924
  407   2HG1  ILE  50          HG13      ILE  50  -1.095   9.289   4.923
  408   1HG2  ILE  50          HG21      ILE  50  -3.386   9.477   4.353
  409   2HG2  ILE  50          HG22      ILE  50  -4.151   8.318   3.278
  410   3HG2  ILE  50          HG23      ILE  50  -4.097   7.994   5.034
  411   1HD1  ILE  50          HD11      ILE  50  -1.661   6.919   6.742
  412   2HD1  ILE  50          HD12      ILE  50  -0.972   8.485   7.195
  413   3HD1  ILE  50          HD13      ILE  50  -2.674   8.374   6.689
  414    H    TYR  51           H        TYR  51  -4.635   5.354   4.911
  415    HA   TYR  51           HA       TYR  51  -5.889   5.194   2.190
  416   1HB   TYR  51          HB2       TYR  51  -5.890   3.034   3.291
  417   2HB   TYR  51          HB3       TYR  51  -6.659   3.724   4.712
  418    HD1  TYR  51           HD1      TYR  51  -8.803   2.818   4.883
  419    HD2  TYR  51           HD2      TYR  51  -7.407   4.072   0.999
  420    HE1  TYR  51           HE1      TYR  51 -11.039   2.330   3.923
  421    HE2  TYR  51           HE2      TYR  51  -9.640   3.591   0.043
  422    HH   TYR  51           HH       TYR  51 -12.332   2.314   2.043
  423    H    ALA  52           H        ALA  52  -6.152   7.395   2.109
  424    HA   ALA  52           HA       ALA  52  -7.142   9.408   2.327
  425   1HB   ALA  52          HB1       ALA  52  -9.568   9.283   2.118
  426   2HB   ALA  52          HB2       ALA  52  -8.805   7.962   1.219
  427   3HB   ALA  52          HB3       ALA  52  -9.570   7.638   2.790
  428    H    GLY  53           H        GLY  53  -6.054   8.528   4.928
  429   1HA   GLY  53          HA2       GLY  53  -6.130  10.333   6.724
  430   2HA   GLY  53          HA3       GLY  53  -7.843   9.948   6.874
  431    H    LYS  54           H        LYS  54  -6.595   6.980   6.318
  432    HA   LYS  54           HA       LYS  54  -6.310   6.347   9.230
  433   1HB   LYS  54          HB2       LYS  54  -6.727   4.412   6.914
  434   2HB   LYS  54          HB3       LYS  54  -6.797   4.058   8.642
  435   1HG   LYS  54          HG2       LYS  54  -8.775   5.690   8.767
  436   2HG   LYS  54          HG3       LYS  54  -8.748   5.695   6.991
  437   1HD   LYS  54          HD2       LYS  54  -8.921   3.135   7.115
  438   2HD   LYS  54          HD3       LYS  54  -9.258   3.334   8.843
  439   1HE   LYS  54          HE2       LYS  54 -11.179   4.839   8.260
  440   2HE   LYS  54          HE3       LYS  54 -10.831   4.588   6.546
  441   1HZ   LYS  54          HZ1       LYS  54 -12.565   3.082   7.235
  442   2HZ   LYS  54          HZ2       LYS  54 -11.225   2.180   6.927
  443   3HZ   LYS  54          HZ3       LYS  54 -11.673   2.493   8.469
  444    H    ILE  55           H        ILE  55  -4.586   5.173   9.994
  445    HA   ILE  55           HA       ILE  55  -2.117   5.555   8.402
  446    HB   ILE  55           HB       ILE  55  -2.296   4.906  11.366
  447   1HG1  ILE  55          HG12      ILE  55  -3.578   6.912  11.209
  448   2HG1  ILE  55          HG13      ILE  55  -2.007   7.272  11.890
  449   1HG2  ILE  55          HG21      ILE  55  -0.102   4.550  10.344
  450   2HG2  ILE  55          HG22      ILE  55  -0.125   6.177   9.637
  451   3HG2  ILE  55          HG23      ILE  55  -0.048   5.965  11.400
  452   1HD1  ILE  55          HD11      ILE  55  -2.686   9.038  10.368
  453   2HD1  ILE  55          HD12      ILE  55  -1.276   8.211   9.688
  454   3HD1  ILE  55          HD13      ILE  55  -2.909   7.883   9.048
  455    H    LEU  56           H        LEU  56  -2.136   3.809   7.073
  456    HA   LEU  56           HA       LEU  56  -2.609   1.082   7.787
  457   1HB   LEU  56          HB2       LEU  56  -1.459   2.601   5.472
  458   2HB   LEU  56          HB3       LEU  56  -1.027   0.910   5.586
  459    HG   LEU  56           HG       LEU  56  -3.328   0.191   5.534
  460   1HD1  LEU  56          HD11      LEU  56  -4.479   1.992   6.768
  461   2HD1  LEU  56          HD12      LEU  56  -4.129   3.133   5.454
  462   3HD1  LEU  56          HD13      LEU  56  -5.213   1.743   5.192
  463   1HD2  LEU  56          HD21      LEU  56  -3.939   0.959   3.278
  464   2HD2  LEU  56          HD22      LEU  56  -2.829   2.337   3.426
  465   3HD2  LEU  56          HD23      LEU  56  -2.195   0.673   3.389
  466    H    ASN  57           H        ASN  57  -1.407  -0.483   8.613
  467    HA   ASN  57           HA       ASN  57   1.232   0.280   9.773
  468   1HB   ASN  57          HB2       ASN  57  -0.660   0.674  11.273
  469   2HB   ASN  57          HB3       ASN  57  -1.269  -0.946  11.012
  470   1HD2  ASN  57          HD21      ASN  57   0.982   0.982  12.839
  471   2HD2  ASN  57          HD22      ASN  57   1.651  -0.360  13.756
  472    H    ASP  58           H        ASP  58   2.793  -1.166   9.851
  473    HA   ASP  58           HA       ASP  58   2.903  -3.335   8.102
  474   1HB   ASP  58          HB2       ASP  58   4.747  -1.876   9.022
  475   2HB   ASP  58          HB3       ASP  58   4.665  -2.788  10.527
  476    H    ASP  59           H        ASP  59   1.607  -3.435  11.305
  477    HA   ASP  59           HA       ASP  59   1.840  -6.412  11.449
  478   1HB   ASP  59          HB2       ASP  59   3.266  -5.056  13.028
  479   2HB   ASP  59          HB3       ASP  59   1.784  -4.421  13.742
  480    H    THR  60           H        THR  60  -0.406  -4.310  10.541
  481    HA   THR  60           HA       THR  60  -2.646  -5.796  11.863
  482    HB   THR  60           HB       THR  60  -2.471  -2.828  11.294
  483    HG1  THR  60           HG1      THR  60  -1.637  -3.518  13.244
  484   1HG2  THR  60          HG21      THR  60  -4.722  -3.545  10.632
  485   2HG2  THR  60          HG22      THR  60  -4.894  -4.471  12.146
  486   3HG2  THR  60          HG23      THR  60  -4.782  -2.695  12.180
  487    H    ALA  61           H        ALA  61  -4.233  -6.517  10.603
  488    HA   ALA  61           HA       ALA  61  -3.473  -7.170   7.942
  489   1HB   ALA  61          HB1       ALA  61  -5.511  -8.530   7.993
  490   2HB   ALA  61          HB2       ALA  61  -4.519  -8.744   9.445
  491   3HB   ALA  61          HB3       ALA  61  -5.995  -7.746   9.517
  492    H    LEU  62           H        LEU  62  -4.380  -6.764   5.944
  493    HA   LEU  62           HA       LEU  62  -5.195  -4.288   5.181
  494   1HB   LEU  62          HB2       LEU  62  -5.238  -7.057   4.104
  495   2HB   LEU  62          HB3       LEU  62  -6.376  -5.997   3.321
  496    HG   LEU  62           HG       LEU  62  -4.156  -6.218   2.265
  497   1HD1  LEU  62          HD11      LEU  62  -4.038  -3.870   1.602
  498   2HD1  LEU  62          HD12      LEU  62  -5.727  -4.314   1.843
  499   3HD1  LEU  62          HD13      LEU  62  -4.873  -3.370   3.086
  500   1HD2  LEU  62          HD21      LEU  62  -2.643  -6.151   4.172
  501   2HD2  LEU  62          HD22      LEU  62  -2.250  -4.898   2.995
  502   3HD2  LEU  62          HD23      LEU  62  -3.080  -4.457   4.496
  503    H    LYS  63           H        LYS  63  -7.576  -6.930   5.763
  504    HA   LYS  63           HA       LYS  63  -9.813  -5.276   5.200
  505   1HB   LYS  63          HB2       LYS  63 -11.156  -7.040   5.715
  506   2HB   LYS  63          HB3       LYS  63  -9.676  -7.815   5.200
  507   1HG   LYS  63          HG2       LYS  63 -10.775  -7.533   8.019
  508   2HG   LYS  63          HG3       LYS  63 -10.613  -9.003   7.049
  509   1HD   LYS  63          HD2       LYS  63  -8.241  -9.062   7.329
  510   2HD   LYS  63          HD3       LYS  63  -8.203  -7.430   8.016
  511   1HE   LYS  63          HE2       LYS  63  -7.950  -9.124   9.778
  512   2HE   LYS  63          HE3       LYS  63  -9.384  -8.127   9.990
  513   1HZ   LYS  63          HZ1       LYS  63  -9.366 -10.940   9.000
  514   2HZ   LYS  63          HZ2       LYS  63  -9.933 -10.401  10.419
  515   3HZ   LYS  63          HZ3       LYS  63 -10.703  -9.984   9.049
  516    H    GLU  64           H        GLU  64  -7.956  -5.206   8.119
  517    HA   GLU  64           HA       GLU  64 -10.087  -4.305   9.898
  518   1HB   GLU  64          HB2       GLU  64  -7.069  -3.934  10.058
  519   2HB   GLU  64          HB3       GLU  64  -8.197  -3.520  11.334
  520   1HG   GLU  64          HG2       GLU  64  -7.854  -6.346  10.251
  521   2HG   GLU  64          HG3       GLU  64  -7.004  -5.707  11.645
  522    H    TYR  65           H        TYR  65  -8.071  -2.745   7.499
  523    HA   TYR  65           HA       TYR  65  -8.754  -0.014   8.395
  524   1HB   TYR  65          HB2       TYR  65  -7.563  -0.767   5.737
  525   2HB   TYR  65          HB3       TYR  65  -7.474   0.780   6.559
  526    HD1  TYR  65           HD1      TYR  65  -6.229   0.702   8.975
  527    HD2  TYR  65           HD2      TYR  65  -5.778  -2.206   5.814
  528    HE1  TYR  65           HE1      TYR  65  -4.105  -0.093   9.990
  529    HE2  TYR  65           HE2      TYR  65  -3.694  -3.043   6.886
  530    HH   TYR  65           HH       TYR  65  -2.248  -2.814   8.636
  531    H    LYS  66           H        LYS  66 -10.478  -2.398   6.832
  532    HA   LYS  66           HA       LYS  66 -12.178  -2.604   5.362
  533   1HB   LYS  66          HB2       LYS  66 -13.041   0.019   6.632
  534   2HB   LYS  66          HB3       LYS  66 -14.081  -1.090   5.726
  535   1HG   LYS  66          HG2       LYS  66 -13.591  -2.895   7.373
  536   2HG   LYS  66          HG3       LYS  66 -12.623  -1.752   8.323
  537   1HD   LYS  66          HD2       LYS  66 -14.617  -0.307   8.626
  538   2HD   LYS  66          HD3       LYS  66 -15.591  -1.461   7.687
  539   1HE   LYS  66          HE2       LYS  66 -15.063  -3.243   9.339
  540   2HE   LYS  66          HE3       LYS  66 -14.100  -2.093  10.276
  541   1HZ   LYS  66          HZ1       LYS  66 -16.344  -2.309  11.178
  542   2HZ   LYS  66          HZ2       LYS  66 -16.130  -0.787  10.632
  543   3HZ   LYS  66          HZ3       LYS  66 -17.019  -1.851   9.766
  544    H    ILE  67           H        ILE  67 -10.049  -1.903   3.973
  545    HA   ILE  67           HA       ILE  67 -10.400   0.331   2.193
  546    HB   ILE  67           HB       ILE  67  -8.772  -2.167   1.668
  547   1HG1  ILE  67          HG12      ILE  67  -8.203   0.265   3.378
  548   2HG1  ILE  67          HG13      ILE  67  -8.050  -1.458   3.758
  549   1HG2  ILE  67          HG21      ILE  67  -8.543   0.693   0.615
  550   2HG2  ILE  67          HG22      ILE  67  -7.439  -0.644   0.244
  551   3HG2  ILE  67          HG23      ILE  67  -9.086  -0.723  -0.323
  552   1HD1  ILE  67          HD11      ILE  67  -5.856  -0.591   3.581
  553   2HD1  ILE  67          HD12      ILE  67  -6.134  -1.566   2.119
  554   3HD1  ILE  67          HD13      ILE  67  -6.214   0.213   2.044
  555    H    ASP  68           H        ASP  68 -11.165   0.391   0.077
  556    HA   ASP  68           HA       ASP  68 -13.060  -1.789  -0.730
  557   1HB   ASP  68          HB2       ASP  68 -14.227   0.132   0.203
  558   2HB   ASP  68          HB3       ASP  68 -13.353   1.221  -0.874
  559    H    GLU  69           H        GLU  69 -13.146  -2.396  -2.819
  560    HA   GLU  69           HA       GLU  69 -10.702  -2.148  -4.241
  561   1HB   GLU  69          HB2       GLU  69 -13.264  -3.453  -5.222
  562   2HB   GLU  69          HB3       GLU  69 -11.610  -3.776  -5.758
  563   1HG   GLU  69          HG2       GLU  69 -11.130  -4.451  -3.294
  564   2HG   GLU  69          HG3       GLU  69 -12.877  -4.470  -3.084
  565    H    LYS  70           H        LYS  70 -13.334  -0.015  -4.472
  566    HA   LYS  70           HA       LYS  70 -12.204   1.037  -7.040
  567   1HB   LYS  70          HB2       LYS  70 -14.335   1.979  -7.660
  568   2HB   LYS  70          HB3       LYS  70 -14.384   0.236  -7.534
  569   1HG   LYS  70          HG2       LYS  70 -16.449   1.164  -6.728
  570   2HG   LYS  70          HG3       LYS  70 -15.607   0.381  -5.397
  571   1HD   LYS  70          HD2       LYS  70 -14.817   2.622  -4.628
  572   2HD   LYS  70          HD3       LYS  70 -15.692   3.388  -5.965
  573   1HE   LYS  70          HE2       LYS  70 -17.818   2.555  -4.978
  574   2HE   LYS  70          HE3       LYS  70 -16.894   1.700  -3.727
  575   1HZ   LYS  70          HZ1       LYS  70 -17.012   4.644  -4.096
  576   2HZ   LYS  70          HZ2       LYS  70 -17.601   3.800  -2.827
  577   3HZ   LYS  70          HZ3       LYS  70 -15.976   3.907  -3.072
  578    H    ASN  71           H        ASN  71 -11.916   1.531  -3.919
  579    HA   ASN  71           HA       ASN  71 -11.672   4.519  -4.128
  580   1HB   ASN  71          HB2       ASN  71 -11.559   2.605  -1.751
  581   2HB   ASN  71          HB3       ASN  71 -11.168   4.313  -1.659
  582   1HD2  ASN  71          HD21      ASN  71 -12.915   3.646   0.086
  583   2HD2  ASN  71          HD22      ASN  71 -14.524   4.193  -0.378
  584    H    PHE  72           H        PHE  72  -9.509   5.236  -2.916
  585    HA   PHE  72           HA       PHE  72  -7.300   3.415  -3.659
  586   1HB   PHE  72          HB2       PHE  72  -6.048   5.181  -4.756
  587   2HB   PHE  72          HB3       PHE  72  -7.548   4.813  -5.566
  588    HD1  PHE  72           HD1      PHE  72  -8.816   6.578  -6.367
  589    HD2  PHE  72           HD2      PHE  72  -6.133   7.277  -3.059
  590    HE1  PHE  72           HE1      PHE  72  -9.269   9.003  -6.510
  591    HE2  PHE  72           HE2      PHE  72  -6.648   9.697  -3.159
  592    HZ   PHE  72           HZ       PHE  72  -8.217  10.573  -4.883
  593    H    VAL  73           H        VAL  73  -5.248   3.977  -2.988
  594    HA   VAL  73           HA       VAL  73  -5.034   5.011  -0.178
  595    HB   VAL  73           HB       VAL  73  -3.989   2.527  -1.583
  596   1HG1  VAL  73          HG11      VAL  73  -3.005   3.508   1.121
  597   2HG1  VAL  73          HG12      VAL  73  -2.681   1.927   0.400
  598   3HG1  VAL  73          HG13      VAL  73  -2.031   3.375  -0.363
  599   1HG2  VAL  73          HG21      VAL  73  -4.960   1.322   0.302
  600   2HG2  VAL  73          HG22      VAL  73  -5.442   2.848   1.055
  601   3HG2  VAL  73          HG23      VAL  73  -6.189   2.330  -0.475
  602    H    VAL  74           H        VAL  74  -3.012   6.027   0.285
  603    HA   VAL  74           HA       VAL  74  -1.464   6.907  -2.122
  604    HB   VAL  74           HB       VAL  74  -1.641   8.412   0.501
  605   1HG1  VAL  74          HG11      VAL  74   0.331   8.971  -0.860
  606   2HG1  VAL  74          HG12      VAL  74  -0.679   9.140  -2.313
  607   3HG1  VAL  74          HG13      VAL  74  -0.833  10.291  -0.968
  608   1HG2  VAL  74          HG21      VAL  74  -3.253   8.839  -2.049
  609   2HG2  VAL  74          HG22      VAL  74  -3.899   8.420  -0.450
  610   3HG2  VAL  74          HG23      VAL  74  -3.149   9.994  -0.704
  611    H    VAL  75           H        VAL  75   0.723   6.723  -2.107
  612    HA   VAL  75           HA       VAL  75   2.043   5.331   0.194
  613    HB   VAL  75           HB       VAL  75   2.701   4.916  -2.719
  614   1HG1  VAL  75          HG11      VAL  75   4.516   4.376  -1.140
  615   2HG1  VAL  75          HG12      VAL  75   3.426   3.310  -0.237
  616   3HG1  VAL  75          HG13      VAL  75   3.883   2.917  -1.906
  617   1HG2  VAL  75          HG21      VAL  75   1.592   2.686  -2.528
  618   2HG2  VAL  75          HG22      VAL  75   0.903   3.196  -0.972
  619   3HG2  VAL  75          HG23      VAL  75   0.456   4.033  -2.471
  620    H    MET  76           H        MET  76   3.896   6.102   0.856
  621    HA   MET  76           HA       MET  76   5.235   8.439  -0.428
  622   1HB   MET  76          HB2       MET  76   4.263   8.276   2.458
  623   2HB   MET  76          HB3       MET  76   5.090   9.641   1.703
  624   1HG   MET  76          HG2       MET  76   3.143   9.956   0.185
  625   2HG   MET  76          HG3       MET  76   2.311   8.628   1.006
  626   1HE   MET  76          HE1       MET  76   0.847  11.314   0.675
  627   2HE   MET  76          HE2       MET  76   0.182   9.962   1.624
  628   3HE   MET  76          HE3       MET  76   0.207  11.600   2.308
  629    H    VAL  77           H        VAL  77   7.226   9.049   1.161
  630    HA   VAL  77           HA       VAL  77   8.293   6.659   2.546
  631    HB   VAL  77           HB       VAL  77  10.534   7.310   2.006
  632   1HG1  VAL  77          HG11      VAL  77   9.427   5.645   0.561
  633   2HG1  VAL  77          HG12      VAL  77   8.949   6.940  -0.560
  634   3HG1  VAL  77          HG13      VAL  77  10.664   6.565  -0.306
  635   1HG2  VAL  77          HG21      VAL  77  11.103   8.926   0.247
  636   2HG2  VAL  77          HG22      VAL  77   9.400   9.411   0.135
  637   3HG2  VAL  77          HG23      VAL  77  10.325   9.702   1.631
  638    H    THR  78           H        THR  78   9.488   7.071   4.429
  639    HA   THR  78           HA       THR  78   9.732   9.821   5.398
  640    HB   THR  78           HB       THR  78   8.944   9.052   7.683
  641    HG1  THR  78           HG1      THR  78   9.044   6.784   7.217
  642   1HG2  THR  78          HG21      THR  78   7.428  10.366   6.199
  643   2HG2  THR  78          HG22      THR  78   6.747   8.838   5.593
  644   3HG2  THR  78          HG23      THR  78   6.578   9.274   7.306
  645    H    LYS  79           H        LYS  79  11.107   9.766   7.403
  646    HA   LYS  79           HA       LYS  79  13.499   8.843   7.874
  647   1HB   LYS  79          HB2       LYS  79  11.958   9.879   9.486
  648   2HB   LYS  79          HB3       LYS  79  11.051   8.373   9.595
  649   1HG   LYS  79          HG2       LYS  79  12.426   8.600  11.576
  650   2HG   LYS  79          HG3       LYS  79  13.046   7.264  10.626
  651   1HD   LYS  79          HD2       LYS  79  14.784   8.991   9.675
  652   2HD   LYS  79          HD3       LYS  79  14.197  10.061  10.949
  653   1HE   LYS  79          HE2       LYS  79  16.079   9.022  11.903
  654   2HE   LYS  79          HE3       LYS  79  14.708   8.150  12.597
  655   1HZ   LYS  79          HZ1       LYS  79  16.375   6.575  11.823
  656   2HZ   LYS  79          HZ2       LYS  79  15.088   6.415  10.847
  657   3HZ   LYS  79          HZ3       LYS  79  16.414   7.236  10.332
  658    HA   PRO  80           HA       PRO  80  13.546   4.334   6.958
  659   1HB   PRO  80          HB2       PRO  80  16.342   4.828   7.994
  660   2HB   PRO  80          HB3       PRO  80  15.814   3.793   6.631
  661   1HG   PRO  80          HG2       PRO  80  16.848   6.243   6.141
  662   2HG   PRO  80          HG3       PRO  80  15.387   5.703   5.252
  663   1HD   PRO  80          HD2       PRO  80  15.555   7.544   7.647
  664   2HD   PRO  80          HD3       PRO  80  14.563   7.699   6.164
  665    H    LYS  81           H        LYS  81  13.527   2.489   8.246
  666    HA   LYS  81           HA       LYS  81  12.391   2.740  10.735
  667   1HB   LYS  81          HB2       LYS  81  12.394   0.358  10.872
  668   2HB   LYS  81          HB3       LYS  81  12.171   0.821   9.187
  669   1HG   LYS  81          HG2       LYS  81  14.600   0.334   8.758
  670   2HG   LYS  81          HG3       LYS  81  14.772  -0.170  10.453
  671   1HD   LYS  81          HD2       LYS  81  12.933  -1.871  10.041
  672   2HD   LYS  81          HD3       LYS  81  13.041  -1.494   8.320
  673   1HE   LYS  81          HE2       LYS  81  15.328  -2.506  10.082
  674   2HE   LYS  81          HE3       LYS  81  14.335  -3.526   9.045
  675   1HZ   LYS  81          HZ1       LYS  81  16.408  -2.938   7.958
  676   2HZ   LYS  81          HZ2       LYS  81  15.168  -2.295   7.120
  677   3HZ   LYS  81          HZ3       LYS  81  16.102  -1.343   8.077
  678    H    ALA  82           H        ALA  82  15.844   2.611  10.324
  679    HA   ALA  82           HA       ALA  82  16.502   1.774  13.021
  680   1HB   ALA  82          HB1       ALA  82  18.772   2.515  12.390
  681   2HB   ALA  82          HB2       ALA  82  18.050   1.480  11.144
  682   3HB   ALA  82          HB3       ALA  82  18.130   3.240  10.899
  683    H    VAL  83           H        VAL  83  15.550   2.984  14.620
  684    HA   VAL  83           HA       VAL  83  16.371   5.819  14.905
  685    HB   VAL  83           HB       VAL  83  14.139   5.723  13.803
  686   1HG1  VAL  83          HG11      VAL  83  13.106   4.631  16.450
  687   2HG1  VAL  83          HG12      VAL  83  12.139   5.137  15.051
  688   3HG1  VAL  83          HG13      VAL  83  13.196   3.725  14.924
  689   1HG2  VAL  83          HG21      VAL  83  14.857   7.677  15.164
  690   2HG2  VAL  83          HG22      VAL  83  13.103   7.443  15.092
  691   3HG2  VAL  83          HG23      VAL  83  13.985   6.988  16.557
  692    H    SER  84           H        SER  84  16.252   6.645  17.056
  693    HA   SER  84           HA       SER  84  16.238   4.612  19.252
  694   1HB   SER  84          HB2       SER  84  18.290   6.811  18.807
  695   2HB   SER  84          HB3       SER  84  18.200   5.744  20.220
  696    HG   SER  84           HG       SER  84  19.719   5.008  18.653
  697    H    THR  85           H        THR  85  15.718   5.361  21.306
  698    HA   THR  85           HA       THR  85  13.785   7.455  21.592
  699    HB   THR  85           HB       THR  85  14.180   7.069  24.072
  700    HG1  THR  85           HG1      THR  85  16.345   6.290  23.768
  701   1HG2  THR  85          HG21      THR  85  12.421   5.880  22.811
  702   2HG2  THR  85          HG22      THR  85  13.586   4.615  22.360
  703   3HG2  THR  85          HG23      THR  85  13.139   4.851  24.062
  Start of MODEL    6
    1   1H    GLY   1           H1       GLY   1  -7.760 -16.403  -6.644
    2   2H    GLY   1           H2       GLY   1  -9.235 -17.113  -6.710
    3   3H    GLY   1           H3       GLY   1  -7.885 -18.003  -6.979
    4   1HA   GLY   1          HA2       GLY   1  -8.732 -18.488  -4.793
    5   2HA   GLY   1          HA3       GLY   1  -7.153 -17.689  -4.707
    6    H    SER   2           H        SER   2  -7.871 -17.187  -2.495
    7    HA   SER   2           HA       SER   2 -10.093 -15.473  -1.930
    8   1HB   SER   2          HB2       SER   2  -7.634 -16.072  -0.245
    9   2HB   SER   2          HB3       SER   2  -9.184 -15.433   0.336
   10    HG   SER   2           HG       SER   2  -9.023 -17.707   0.629
   11    H    HIS   3           H        HIS   3  -7.319 -14.517  -3.469
   12    HA   HIS   3           HA       HIS   3  -6.469 -12.144  -2.233
   13   1HB   HIS   3          HB2       HIS   3  -5.664 -11.572  -4.544
   14   2HB   HIS   3          HB3       HIS   3  -5.183 -13.154  -3.947
   15    HD1  HIS   3           HD1      HIS   3  -8.579 -12.412  -5.680
   16    HD2  HIS   3           HD2      HIS   3  -4.995 -14.561  -6.145
   17    HE1  HIS   3           HE1      HIS   3  -8.885 -13.861  -7.758
   18    H    MET   4           H        MET   4  -6.753  -9.973  -2.742
   19    HA   MET   4           HA       MET   4  -9.245  -9.037  -4.063
   20   1HB   MET   4          HB2       MET   4  -9.702  -9.304  -1.643
   21   2HB   MET   4          HB3       MET   4  -8.290  -8.308  -1.252
   22   1HG   MET   4          HG2       MET   4  -9.316  -6.359  -2.250
   23   2HG   MET   4          HG3       MET   4 -10.659  -7.329  -2.881
   24   1HE   MET   4          HE1       MET   4 -12.396  -5.038  -0.267
   25   2HE   MET   4          HE2       MET   4 -11.036  -4.636  -1.338
   26   3HE   MET   4          HE3       MET   4 -12.383  -5.626  -1.945
   27    H    GLN   5           H        GLN   5  -9.068  -6.767  -4.733
   28    HA   GLN   5           HA       GLN   5  -6.251  -6.085  -5.341
   29   1HB   GLN   5          HB2       GLN   5  -8.692  -4.887  -6.643
   30   2HB   GLN   5          HB3       GLN   5  -7.010  -4.855  -7.177
   31   1HG   GLN   5          HG2       GLN   5  -7.139  -7.376  -7.453
   32   2HG   GLN   5          HG3       GLN   5  -8.877  -7.261  -7.149
   33   1HE2  GLN   5          HE21      GLN   5 -10.141  -5.710  -8.680
   34   2HE2  GLN   5          HE22      GLN   5  -9.544  -5.665 -10.342
   35    H    VAL   6           H        VAL   6  -5.450  -3.945  -5.240
   36    HA   VAL   6           HA       VAL   6  -7.055  -1.911  -3.773
   37    HB   VAL   6           HB       VAL   6  -4.158  -2.496  -3.030
   38   1HG1  VAL   6          HG11      VAL   6  -6.272  -0.660  -1.814
   39   2HG1  VAL   6          HG12      VAL   6  -4.663  -0.967  -1.122
   40   3HG1  VAL   6          HG13      VAL   6  -4.812  -0.151  -2.672
   41   1HG2  VAL   6          HG21      VAL   6  -6.687  -3.180  -1.465
   42   2HG2  VAL   6          HG22      VAL   6  -5.515  -4.334  -2.133
   43   3HG2  VAL   6          HG23      VAL   6  -5.032  -3.257  -0.826
   44    H    THR   7           H        THR   7  -6.608   0.196  -4.395
   45    HA   THR   7           HA       THR   7  -4.820   0.600  -6.765
   46    HB   THR   7           HB       THR   7  -7.241   2.170  -5.808
   47    HG1  THR   7           HG1      THR   7  -8.208   1.313  -7.598
   48   1HG2  THR   7          HG21      THR   7  -7.052   3.373  -7.979
   49   2HG2  THR   7          HG22      THR   7  -5.678   3.697  -6.926
   50   3HG2  THR   7          HG23      THR   7  -5.498   2.564  -8.287
   51    H    LEU   8           H        LEU   8  -3.125   1.912  -6.561
   52    HA   LEU   8           HA       LEU   8  -2.648   3.282  -3.946
   53   1HB   LEU   8          HB2       LEU   8  -0.579   1.975  -5.734
   54   2HB   LEU   8          HB3       LEU   8  -0.335   2.692  -4.149
   55    HG   LEU   8           HG       LEU   8  -1.694   0.078  -4.864
   56   1HD1  LEU   8          HD11      LEU   8   0.065  -0.839  -3.409
   57   2HD1  LEU   8          HD12      LEU   8   0.770   0.195  -4.649
   58   3HD1  LEU   8          HD13      LEU   8   0.618   0.796  -2.994
   59   1HD2  LEU   8          HD21      LEU   8  -2.105  -0.246  -2.424
   60   2HD2  LEU   8          HD22      LEU   8  -1.549   1.415  -2.107
   61   3HD2  LEU   8          HD23      LEU   8  -3.025   1.128  -3.039
   62    H    LYS   9           H        LYS   9  -2.318   5.381  -4.080
   63    HA   LYS   9           HA       LYS   9  -1.224   6.686  -6.550
   64   1HB   LYS   9          HB2       LYS   9  -2.508   7.851  -4.031
   65   2HB   LYS   9          HB3       LYS   9  -1.835   8.804  -5.357
   66   1HG   LYS   9          HG2       LYS   9  -3.465   7.763  -6.916
   67   2HG   LYS   9          HG3       LYS   9  -4.187   6.879  -5.552
   68   1HD   LYS   9          HD2       LYS   9  -5.569   8.761  -5.939
   69   2HD   LYS   9          HD3       LYS   9  -4.639   9.140  -4.477
   70   1HE   LYS   9          HE2       LYS   9  -3.078  10.520  -5.829
   71   2HE   LYS   9          HE3       LYS   9  -3.957  10.083  -7.300
   72   1HZ   LYS   9          HZ1       LYS   9  -5.101  11.616  -5.023
   73   2HZ   LYS   9          HZ2       LYS   9  -4.663  12.248  -6.462
   74   3HZ   LYS   9          HZ3       LYS   9  -5.916  11.207  -6.381
   75    H    THR  10           H        THR  10   0.531   8.252  -6.240
   76    HA   THR  10           HA       THR  10   2.180   7.885  -3.762
   77    HB   THR  10           HB       THR  10   4.176   7.566  -5.003
   78    HG1  THR  10           HG1      THR  10   4.176   7.504  -7.241
   79   1HG2  THR  10          HG21      THR  10   2.146   5.736  -6.343
   80   2HG2  THR  10          HG22      THR  10   3.878   5.444  -6.123
   81   3HG2  THR  10          HG23      THR  10   2.810   5.485  -4.712
   82    H    LEU  11           H        LEU  11   3.946   9.444  -3.549
   83    HA   LEU  11           HA       LEU  11   3.143  12.165  -3.804
   84   1HB   LEU  11          HB2       LEU  11   5.937  11.004  -3.446
   85   2HB   LEU  11          HB3       LEU  11   5.465  12.669  -3.121
   86    HG   LEU  11           HG       LEU  11   4.485  10.213  -1.605
   87   1HD1  LEU  11          HD11      LEU  11   6.356  12.476  -0.804
   88   2HD1  LEU  11          HD12      LEU  11   5.802  11.164   0.254
   89   3HD1  LEU  11          HD13      LEU  11   6.828  10.797  -1.146
   90   1HD2  LEU  11          HD21      LEU  11   3.508  11.848  -0.009
   91   2HD2  LEU  11          HD22      LEU  11   3.908  13.169  -1.130
   92   3HD2  LEU  11          HD23      LEU  11   2.725  11.919  -1.589
   93    H    GLN  12           H        GLN  12   4.738  10.107  -6.103
   94    HA   GLN  12           HA       GLN  12   5.777  12.206  -7.824
   95   1HB   GLN  12          HB2       GLN  12   5.405   9.205  -8.181
   96   2HB   GLN  12          HB3       GLN  12   6.202  10.260  -9.338
   97   1HG   GLN  12          HG2       GLN  12   7.948   9.237  -8.141
   98   2HG   GLN  12          HG3       GLN  12   7.877  10.908  -7.607
   99   1HE2  GLN  12          HE21      GLN  12   9.130  10.217  -5.691
  100   2HE2  GLN  12          HE22      GLN  12   8.297   9.367  -4.395
  101    H    GLN  13           H        GLN  13   2.631  11.614  -7.249
  102    HA   GLN  13           HA       GLN  13   0.709  12.135  -8.280
  103   1HB   GLN  13          HB2       GLN  13   2.332  13.605 -10.384
  104   2HB   GLN  13          HB3       GLN  13   0.652  13.876  -9.930
  105   1HG   GLN  13          HG2       GLN  13   3.128  14.459  -8.257
  106   2HG   GLN  13          HG3       GLN  13   2.029  15.622  -8.981
  107   1HE2  GLN  13          HE21      GLN  13   2.747  13.944  -6.110
  108   2HE2  GLN  13          HE22      GLN  13   1.206  14.228  -5.296
  109    H    GLN  14           H        GLN  14   1.287   9.633  -8.688
  110    HA   GLN  14           HA       GLN  14   0.089   9.003 -11.309
  111   1HB   GLN  14          HB2       GLN  14   1.670   7.123 -11.663
  112   2HB   GLN  14          HB3       GLN  14   2.438   8.707 -11.787
  113   1HG   GLN  14          HG2       GLN  14   3.373   8.442  -9.506
  114   2HG   GLN  14          HG3       GLN  14   2.577   6.869  -9.351
  115   1HE2  GLN  14          HE21      GLN  14   4.997   8.654 -11.366
  116   2HE2  GLN  14          HE22      GLN  14   5.925   7.209 -11.739
  117    H    THR  15           H        THR  15  -0.757   6.758 -11.350
  118    HA   THR  15           HA       THR  15  -1.296   5.584  -8.691
  119    HB   THR  15           HB       THR  15  -3.587   5.761 -10.637
  120    HG1  THR  15           HG1      THR  15  -3.042   7.901 -10.344
  121   1HG2  THR  15          HG21      THR  15  -3.851   4.295  -8.711
  122   2HG2  THR  15          HG22      THR  15  -3.446   5.620  -7.614
  123   3HG2  THR  15          HG23      THR  15  -4.932   5.697  -8.574
  124    H    PHE  16           H        PHE  16  -1.651   3.363  -8.691
  125    HA   PHE  16           HA       PHE  16  -1.907   1.828 -11.176
  126   1HB   PHE  16          HB2       PHE  16  -0.019   0.371 -10.696
  127   2HB   PHE  16          HB3       PHE  16   0.535   2.011 -10.941
  128    HD1  PHE  16           HD1      PHE  16   0.389  -0.816  -8.541
  129    HD2  PHE  16           HD2      PHE  16   1.216   3.426  -8.954
  130    HE1  PHE  16           HE1      PHE  16   1.795  -0.884  -6.557
  131    HE2  PHE  16           HE2      PHE  16   2.508   3.353  -6.838
  132    HZ   PHE  16           HZ       PHE  16   2.845   1.190  -5.657
  133    H    LYS  17           H        LYS  17  -2.187  -0.594 -10.504
  134    HA   LYS  17           HA       LYS  17  -3.262  -0.929  -7.798
  135   1HB   LYS  17          HB2       LYS  17  -5.406  -1.873  -8.695
  136   2HB   LYS  17          HB3       LYS  17  -5.189  -0.132  -8.827
  137   1HG   LYS  17          HG2       LYS  17  -4.502  -0.445 -11.252
  138   2HG   LYS  17          HG3       LYS  17  -4.997  -2.152 -11.090
  139   1HD   LYS  17          HD2       LYS  17  -7.259  -1.338 -10.349
  140   2HD   LYS  17          HD3       LYS  17  -6.685   0.332 -10.572
  141   1HE   LYS  17          HE2       LYS  17  -6.268  -0.142 -12.982
  142   2HE   LYS  17          HE3       LYS  17  -6.844  -1.798 -12.760
  143   1HZ   LYS  17          HZ1       LYS  17  -8.596  -0.361 -13.636
  144   2HZ   LYS  17          HZ2       LYS  17  -9.024  -0.887 -12.153
  145   3HZ   LYS  17          HZ3       LYS  17  -8.489   0.645 -12.357
  146    H    ILE  18           H        ILE  18  -3.325  -2.864  -7.023
  147    HA   ILE  18           HA       ILE  18  -2.091  -5.162  -8.430
  148    HB   ILE  18           HB       ILE  18  -0.707  -5.248  -6.171
  149   1HG1  ILE  18          HG12      ILE  18   0.277  -3.119  -5.492
  150   2HG1  ILE  18          HG13      ILE  18  -0.859  -2.230  -6.498
  151   1HG2  ILE  18          HG21      ILE  18   1.212  -4.252  -7.377
  152   2HG2  ILE  18          HG22      ILE  18   0.234  -5.265  -8.451
  153   3HG2  ILE  18          HG23      ILE  18   0.096  -3.497  -8.529
  154   1HD1  ILE  18          HD11      ILE  18  -2.731  -3.132  -5.114
  155   2HD1  ILE  18          HD12      ILE  18  -1.547  -3.988  -4.100
  156   3HD1  ILE  18          HD13      ILE  18  -1.570  -2.211  -4.168
  157    H    ASP  19           H        ASP  19  -1.909  -7.009  -6.554
  158    HA   ASP  19           HA       ASP  19  -4.413  -7.043  -4.994
  159   1HB   ASP  19          HB2       ASP  19  -5.171  -9.097  -5.903
  160   2HB   ASP  19          HB3       ASP  19  -4.894  -8.006  -7.251
  161    H    ILE  20           H        ILE  20  -4.416  -8.324  -3.230
  162    HA   ILE  20           HA       ILE  20  -2.232 -10.149  -2.561
  163    HB   ILE  20           HB       ILE  20  -1.641  -9.197  -0.480
  164   1HG1  ILE  20          HG12      ILE  20  -3.588  -8.169   0.386
  165   2HG1  ILE  20          HG13      ILE  20  -2.293  -6.997   0.351
  166   1HG2  ILE  20          HG21      ILE  20  -0.347  -8.432  -2.400
  167   2HG2  ILE  20          HG22      ILE  20  -1.364  -6.984  -2.544
  168   3HG2  ILE  20          HG23      ILE  20  -0.369  -7.251  -1.093
  169   1HD1  ILE  20          HD11      ILE  20  -3.346  -5.967  -1.705
  170   2HD1  ILE  20          HD12      ILE  20  -4.710  -7.100  -1.496
  171   3HD1  ILE  20          HD13      ILE  20  -4.354  -5.914  -0.247
  172    H    ASP  21           H        ASP  21  -2.785 -11.269  -0.356
  173    HA   ASP  21           HA       ASP  21  -5.653 -11.877  -0.180
  174   1HB   ASP  21          HB2       ASP  21  -3.239 -12.699   1.448
  175   2HB   ASP  21          HB3       ASP  21  -4.892 -13.155   1.873
  176    HA   PRO  22           HA       PRO  22  -6.212  -8.187   2.322
  177   1HB   PRO  22          HB2       PRO  22  -8.875  -8.353   2.925
  178   2HB   PRO  22          HB3       PRO  22  -8.257  -7.973   1.289
  179   1HG   PRO  22          HG2       PRO  22  -9.125 -10.672   2.368
  180   2HG   PRO  22          HG3       PRO  22  -9.625  -9.885   0.837
  181   1HD   PRO  22          HD2       PRO  22  -7.638 -11.743   0.917
  182   2HD   PRO  22          HD3       PRO  22  -7.531 -10.331  -0.175
  183    H    GLU  23           H        GLU  23  -6.599 -11.379   3.568
  184    HA   GLU  23           HA       GLU  23  -6.907 -10.668   6.384
  185   1HB   GLU  23          HB2       GLU  23  -6.049 -13.241   5.004
  186   2HB   GLU  23          HB3       GLU  23  -6.342 -13.065   6.740
  187   1HG   GLU  23          HG2       GLU  23  -8.691 -12.354   6.253
  188   2HG   GLU  23          HG3       GLU  23  -8.414 -12.672   4.539
  189    H    GLU  24           H        GLU  24  -4.236 -10.308   4.259
  190    HA   GLU  24           HA       GLU  24  -2.183 -10.947   6.311
  191   1HB   GLU  24          HB2       GLU  24  -1.964  -9.908   3.457
  192   2HB   GLU  24          HB3       GLU  24  -0.600 -10.216   4.519
  193   1HG   GLU  24          HG2       GLU  24  -2.597 -12.334   3.628
  194   2HG   GLU  24          HG3       GLU  24  -1.016 -12.059   2.905
  195    H    THR  25           H        THR  25  -0.492  -9.323   6.758
  196    HA   THR  25           HA       THR  25  -1.605  -6.786   7.648
  197    HB   THR  25           HB       THR  25   0.695  -6.320   8.406
  198    HG1  THR  25           HG1      THR  25   2.220  -7.992   8.190
  199   1HG2  THR  25          HG21      THR  25  -0.219  -9.125   9.179
  200   2HG2  THR  25          HG22      THR  25   0.846  -8.052  10.112
  201   3HG2  THR  25          HG23      THR  25  -0.853  -7.614   9.864
  202    H    VAL  26           H        VAL  26  -0.585  -4.706   7.165
  203    HA   VAL  26           HA       VAL  26  -0.582  -3.991   4.433
  204    HB   VAL  26           HB       VAL  26   0.797  -2.675   6.795
  205   1HG1  VAL  26          HG11      VAL  26   1.749  -1.736   4.731
  206   2HG1  VAL  26          HG12      VAL  26   0.112  -1.419   4.109
  207   3HG1  VAL  26          HG13      VAL  26   0.732  -0.564   5.545
  208   1HG2  VAL  26          HG21      VAL  26  -1.734  -2.966   6.952
  209   2HG2  VAL  26          HG22      VAL  26  -1.152  -1.317   7.037
  210   3HG2  VAL  26          HG23      VAL  26  -1.858  -1.914   5.527
  211    H    LYS  27           H        LYS  27   2.112  -5.172   6.378
  212    HA   LYS  27           HA       LYS  27   4.341  -4.681   4.803
  213   1HB   LYS  27          HB2       LYS  27   4.001  -5.964   7.056
  214   2HB   LYS  27          HB3       LYS  27   3.869  -7.402   6.037
  215   1HG   LYS  27          HG2       LYS  27   6.125  -6.803   5.043
  216   2HG   LYS  27          HG3       LYS  27   6.187  -5.420   6.143
  217   1HD   LYS  27          HD2       LYS  27   5.781  -7.253   8.028
  218   2HD   LYS  27          HD3       LYS  27   6.304  -8.378   6.768
  219   1HE   LYS  27          HE2       LYS  27   8.333  -7.898   7.805
  220   2HE   LYS  27          HE3       LYS  27   8.331  -6.727   6.481
  221   1HZ   LYS  27          HZ1       LYS  27   7.680  -6.225   9.331
  222   2HZ   LYS  27          HZ2       LYS  27   8.882  -5.542   8.465
  223   3HZ   LYS  27          HZ3       LYS  27   7.310  -5.131   8.194
  224    H    ALA  28           H        ALA  28   1.844  -7.181   4.177
  225    HA   ALA  28           HA       ALA  28   3.346  -8.485   2.103
  226   1HB   ALA  28          HB1       ALA  28   1.181  -9.641   1.687
  227   2HB   ALA  28          HB2       ALA  28   1.515  -9.551   3.432
  228   3HB   ALA  28          HB3       ALA  28   0.341  -8.437   2.682
  229    H    LEU  29           H        LEU  29   1.258  -5.659   1.993
  230    HA   LEU  29           HA       LEU  29   1.300  -5.688  -0.973
  231   1HB   LEU  29          HB2       LEU  29  -0.650  -4.701  -0.972
  232   2HB   LEU  29          HB3       LEU  29  -0.734  -5.068   0.729
  233    HG   LEU  29           HG       LEU  29   0.425  -2.742   1.056
  234   1HD1  LEU  29          HD11      LEU  29   0.872  -2.216  -1.351
  235   2HD1  LEU  29          HD12      LEU  29  -0.852  -2.405  -1.705
  236   3HD1  LEU  29          HD13      LEU  29  -0.286  -1.078  -0.673
  237   1HD2  LEU  29          HD21      LEU  29  -2.457  -2.962   0.077
  238   2HD2  LEU  29          HD22      LEU  29  -1.885  -3.302   1.717
  239   3HD2  LEU  29          HD23      LEU  29  -1.794  -1.654   1.086
  240    H    LYS  30           H        LYS  30   2.607  -3.960   1.824
  241    HA   LYS  30           HA       LYS  30   3.984  -1.978   0.261
  242   1HB   LYS  30          HB2       LYS  30   3.378  -1.741   2.644
  243   2HB   LYS  30          HB3       LYS  30   4.429  -3.073   3.099
  244   1HG   LYS  30          HG2       LYS  30   5.739  -0.874   1.597
  245   2HG   LYS  30          HG3       LYS  30   5.100  -0.384   3.157
  246   1HD   LYS  30          HD2       LYS  30   6.783  -2.891   2.971
  247   2HD   LYS  30          HD3       LYS  30   7.578  -1.323   2.903
  248   1HE   LYS  30          HE2       LYS  30   5.574  -1.826   5.098
  249   2HE   LYS  30          HE3       LYS  30   7.162  -2.579   5.221
  250   1HZ   LYS  30          HZ1       LYS  30   8.201  -0.421   5.091
  251   2HZ   LYS  30          HZ2       LYS  30   6.778   0.359   4.871
  252   3HZ   LYS  30          HZ3       LYS  30   7.093  -0.391   6.293
  253    H    GLU  31           H        GLU  31   5.025  -5.226   1.319
  254    HA   GLU  31           HA       GLU  31   7.686  -4.975   0.325
  255   1HB   GLU  31          HB2       GLU  31   7.930  -7.256   0.655
  256   2HB   GLU  31          HB3       GLU  31   6.777  -6.764   1.893
  257   1HG   GLU  31          HG2       GLU  31   4.930  -7.685   0.550
  258   2HG   GLU  31          HG3       GLU  31   6.069  -8.184  -0.701
  259    H    LYS  32           H        LYS  32   4.682  -5.841  -1.362
  260    HA   LYS  32           HA       LYS  32   6.089  -7.048  -3.559
  261   1HB   LYS  32          HB2       LYS  32   4.019  -7.744  -4.313
  262   2HB   LYS  32          HB3       LYS  32   3.843  -7.670  -2.571
  263   1HG   LYS  32          HG2       LYS  32   1.914  -6.624  -3.010
  264   2HG   LYS  32          HG3       LYS  32   2.931  -5.205  -3.128
  265   1HD   LYS  32          HD2       LYS  32   1.259  -5.342  -4.929
  266   2HD   LYS  32          HD3       LYS  32   2.892  -5.260  -5.539
  267   1HE   LYS  32          HE2       LYS  32   1.469  -6.847  -6.812
  268   2HE   LYS  32          HE3       LYS  32   2.918  -7.586  -6.145
  269   1HZ   LYS  32          HZ1       LYS  32   0.997  -9.006  -5.819
  270   2HZ   LYS  32          HZ2       LYS  32   1.543  -8.539  -4.363
  271   3HZ   LYS  32          HZ3       LYS  32   0.177  -7.885  -4.987
  272    H    ILE  33           H        ILE  33   4.889  -3.761  -3.143
  273    HA   ILE  33           HA       ILE  33   5.162  -3.155  -5.979
  274    HB   ILE  33           HB       ILE  33   4.484  -0.993  -5.528
  275   1HG1  ILE  33          HG12      ILE  33   3.958  -0.344  -3.008
  276   2HG1  ILE  33          HG13      ILE  33   5.325  -1.395  -2.654
  277   1HG2  ILE  33          HG21      ILE  33   2.967  -2.794  -3.611
  278   2HG2  ILE  33          HG22      ILE  33   2.375  -1.345  -4.398
  279   3HG2  ILE  33          HG23      ILE  33   2.785  -2.762  -5.379
  280   1HD1  ILE  33          HD11      ILE  33   6.792   0.045  -4.031
  281   2HD1  ILE  33          HD12      ILE  33   5.383   0.956  -4.623
  282   3HD1  ILE  33          HD13      ILE  33   5.860   1.071  -2.931
  283    H    GLU  34           H        GLU  34   7.409  -3.137  -3.291
  284    HA   GLU  34           HA       GLU  34   9.457  -1.541  -4.548
  285   1HB   GLU  34          HB2       GLU  34   9.476  -2.351  -2.163
  286   2HB   GLU  34          HB3       GLU  34   9.863  -3.971  -2.776
  287   1HG   GLU  34          HG2       GLU  34  11.902  -2.932  -3.899
  288   2HG   GLU  34          HG3       GLU  34  11.524  -1.431  -3.061
  289    H    SER  35           H        SER  35   8.397  -4.943  -5.067
  290    HA   SER  35           HA       SER  35  10.514  -5.644  -6.883
  291   1HB   SER  35          HB2       SER  35   7.670  -6.714  -6.840
  292   2HB   SER  35          HB3       SER  35   9.083  -7.467  -7.589
  293    HG   SER  35           HG       SER  35   8.649  -8.360  -5.526
  294    H    GLU  36           H        GLU  36   7.853  -3.470  -7.326
  295    HA   GLU  36           HA       GLU  36   7.893  -3.719 -10.302
  296   1HB   GLU  36          HB2       GLU  36   6.105  -2.119  -8.432
  297   2HB   GLU  36          HB3       GLU  36   5.922  -2.238 -10.177
  298   1HG   GLU  36          HG2       GLU  36   5.603  -4.509  -8.168
  299   2HG   GLU  36          HG3       GLU  36   4.313  -3.677  -9.020
  300    H    LYS  37           H        LYS  37   8.623  -1.410  -7.707
  301    HA   LYS  37           HA       LYS  37   9.634   0.587  -9.721
  302   1HB   LYS  37          HB2       LYS  37   8.099   1.039  -7.136
  303   2HB   LYS  37          HB3       LYS  37   8.774   2.314  -8.169
  304   1HG   LYS  37          HG2       LYS  37   7.358   1.602 -10.047
  305   2HG   LYS  37          HG3       LYS  37   6.662   0.303  -9.060
  306   1HD   LYS  37          HD2       LYS  37   5.805   1.952  -7.448
  307   2HD   LYS  37          HD3       LYS  37   6.421   3.278  -8.450
  308   1HE   LYS  37          HE2       LYS  37   4.431   1.168  -9.408
  309   2HE   LYS  37          HE3       LYS  37   3.954   2.719  -8.717
  310   1HZ   LYS  37          HZ1       LYS  37   4.025   2.726 -11.169
  311   2HZ   LYS  37          HZ2       LYS  37   4.958   3.880 -10.519
  312   3HZ   LYS  37          HZ3       LYS  37   5.643   2.518 -11.143
  313    H    GLY  38           H        GLY  38  10.626  -1.275  -7.105
  314   1HA   GLY  38          HA2       GLY  38  12.784  -1.658  -6.492
  315   2HA   GLY  38          HA3       GLY  38  13.304  -0.267  -7.423
  316    H    LYS  39           H        LYS  39  14.361  -1.139  -4.995
  317    HA   LYS  39           HA       LYS  39  13.900   0.407  -2.671
  318   1HB   LYS  39          HB2       LYS  39  16.579  -0.297  -3.979
  319   2HB   LYS  39          HB3       LYS  39  16.371   0.303  -2.344
  320   1HG   LYS  39          HG2       LYS  39  16.796  -1.983  -2.225
  321   2HG   LYS  39          HG3       LYS  39  15.115  -1.723  -1.733
  322   1HD   LYS  39          HD2       LYS  39  14.274  -2.742  -3.714
  323   2HD   LYS  39          HD3       LYS  39  15.806  -2.528  -4.574
  324   1HE   LYS  39          HE2       LYS  39  15.481  -4.861  -4.039
  325   2HE   LYS  39          HE3       LYS  39  16.900  -4.204  -3.219
  326   1HZ   LYS  39          HZ1       LYS  39  14.242  -4.599  -1.925
  327   2HZ   LYS  39          HZ2       LYS  39  15.521  -5.608  -1.748
  328   3HZ   LYS  39          HZ3       LYS  39  15.597  -4.082  -1.172
  329    H    ASP  40           H        ASP  40  15.344   1.275  -5.674
  330    HA   ASP  40           HA       ASP  40  16.558   3.762  -5.129
  331   1HB   ASP  40          HB2       ASP  40  16.780   2.391  -7.201
  332   2HB   ASP  40          HB3       ASP  40  15.149   2.867  -7.674
  333    H    ALA  41           H        ALA  41  13.139   3.081  -5.272
  334    HA   ALA  41           HA       ALA  41  12.520   5.988  -4.942
  335   1HB   ALA  41          HB1       ALA  41  11.139   3.999  -6.785
  336   2HB   ALA  41          HB2       ALA  41  10.607   5.673  -6.479
  337   3HB   ALA  41          HB3       ALA  41  12.161   5.361  -7.280
  338    H    PHE  42           H        PHE  42  11.606   2.630  -4.125
  339    HA   PHE  42           HA       PHE  42   9.819   3.677  -1.980
  340   1HB   PHE  42          HB2       PHE  42   9.065   1.544  -4.007
  341   2HB   PHE  42          HB3       PHE  42   8.141   1.977  -2.574
  342    HD1  PHE  42           HD1      PHE  42   6.845   4.046  -2.421
  343    HD2  PHE  42           HD2      PHE  42   9.108   3.054  -5.952
  344    HE1  PHE  42           HE1      PHE  42   5.663   5.830  -3.681
  345    HE2  PHE  42           HE2      PHE  42   7.931   4.849  -7.212
  346    HZ   PHE  42           HZ       PHE  42   6.215   6.239  -6.074
  347    HA   PRO  43           HA       PRO  43  12.777   0.232  -0.708
  348   1HB   PRO  43          HB2       PRO  43  14.074   1.476   1.354
  349   2HB   PRO  43          HB3       PRO  43  14.564   1.650  -0.357
  350   1HG   PRO  43          HG2       PRO  43  12.862   3.536   1.296
  351   2HG   PRO  43          HG3       PRO  43  14.239   3.936   0.221
  352   1HD   PRO  43          HD2       PRO  43  11.621   4.142  -0.572
  353   2HD   PRO  43          HD3       PRO  43  12.925   3.690  -1.704
  354    H    VAL  44           H        VAL  44  11.845  -1.287   0.551
  355    HA   VAL  44           HA       VAL  44   9.537  -0.937   2.082
  356    HB   VAL  44           HB       VAL  44  11.632  -3.107   2.028
  357   1HG1  VAL  44          HG11      VAL  44  10.744  -3.345   4.293
  358   2HG1  VAL  44          HG12      VAL  44   9.077  -3.219   3.692
  359   3HG1  VAL  44          HG13      VAL  44  10.084  -4.610   3.256
  360   1HG2  VAL  44          HG21      VAL  44   8.689  -3.035   1.211
  361   2HG2  VAL  44          HG22      VAL  44  10.039  -2.733   0.111
  362   3HG2  VAL  44          HG23      VAL  44   9.869  -4.323   0.865
  363    H    ALA  45           H        ALA  45  12.838  -0.621   3.245
  364    HA   ALA  45           HA       ALA  45  12.250  -0.466   6.039
  365   1HB   ALA  45          HB1       ALA  45  14.582   0.652   4.418
  366   2HB   ALA  45          HB2       ALA  45  14.564   0.378   6.174
  367   3HB   ALA  45          HB3       ALA  45  14.467  -1.003   5.069
  368    H    GLY  46           H        GLY  46  11.414   1.829   3.642
  369   1HA   GLY  46          HA2       GLY  46  11.044   3.965   5.709
  370   2HA   GLY  46          HA3       GLY  46  11.927   4.310   4.225
  371    H    GLN  47           H        GLN  47   9.714   2.399   2.837
  372    HA   GLN  47           HA       GLN  47   7.849   4.599   2.358
  373   1HB   GLN  47          HB2       GLN  47   6.731   3.229   0.778
  374   2HB   GLN  47          HB3       GLN  47   8.464   3.227   0.474
  375   1HG   GLN  47          HG2       GLN  47   8.721   0.986   1.119
  376   2HG   GLN  47          HG3       GLN  47   7.228   0.958   2.041
  377   1HE2  GLN  47          HE21      GLN  47   8.580  -0.073  -0.902
  378   2HE2  GLN  47          HE22      GLN  47   7.022  -0.438  -1.631
  379    H    LYS  48           H        LYS  48   5.763   4.796   2.859
  380    HA   LYS  48           HA       LYS  48   4.464   3.087   4.934
  381   1HB   LYS  48          HB2       LYS  48   4.692   6.119   5.118
  382   2HB   LYS  48          HB3       LYS  48   3.997   5.010   6.305
  383   1HG   LYS  48          HG2       LYS  48   6.341   3.987   6.511
  384   2HG   LYS  48          HG3       LYS  48   6.912   5.363   5.536
  385   1HD   LYS  48          HD2       LYS  48   6.025   6.935   7.240
  386   2HD   LYS  48          HD3       LYS  48   5.455   5.553   8.205
  387   1HE   LYS  48          HE2       LYS  48   7.813   4.706   8.322
  388   2HE   LYS  48          HE3       LYS  48   8.356   6.139   7.444
  389   1HZ   LYS  48          HZ1       LYS  48   7.490   7.497   9.300
  390   2HZ   LYS  48          HZ2       LYS  48   7.017   6.155  10.103
  391   3HZ   LYS  48          HZ3       LYS  48   8.602   6.430   9.843
  392    H    LEU  49           H        LEU  49   2.134   3.677   5.191
  393    HA   LEU  49           HA       LEU  49   0.953   4.674   2.639
  394   1HB   LEU  49          HB2       LEU  49   0.395   1.993   3.973
  395   2HB   LEU  49          HB3       LEU  49  -0.588   2.717   2.706
  396    HG   LEU  49           HG       LEU  49   1.750   2.847   1.415
  397   1HD1  LEU  49          HD11      LEU  49   2.056   0.330   3.122
  398   2HD1  LEU  49          HD12      LEU  49   3.092   0.821   1.763
  399   3HD1  LEU  49          HD13      LEU  49   3.095   1.752   3.257
  400   1HD2  LEU  49          HD21      LEU  49   0.039   0.343   1.671
  401   2HD2  LEU  49          HD22      LEU  49  -0.214   1.714   0.565
  402   3HD2  LEU  49          HD23      LEU  49   1.193   0.675   0.355
  403    H    ILE  50           H        ILE  50  -1.156   5.248   2.630
  404    HA   ILE  50           HA       ILE  50  -2.543   5.974   5.184
  405    HB   ILE  50           HB       ILE  50  -1.673   7.641   2.816
  406   1HG1  ILE  50          HG12      ILE  50  -0.325   7.635   4.940
  407   2HG1  ILE  50          HG13      ILE  50  -0.834   9.205   4.341
  408   1HG2  ILE  50          HG21      ILE  50  -3.177   9.508   3.566
  409   2HG2  ILE  50          HG22      ILE  50  -3.998   8.172   2.769
  410   3HG2  ILE  50          HG23      ILE  50  -4.069   8.320   4.545
  411   1HD1  ILE  50          HD11      ILE  50  -2.122   7.714   6.658
  412   2HD1  ILE  50          HD12      ILE  50  -1.047   9.121   6.765
  413   3HD1  ILE  50          HD13      ILE  50  -2.656   9.290   6.050
  414    H    TYR  51           H        TYR  51  -4.803   5.834   5.111
  415    HA   TYR  51           HA       TYR  51  -6.077   5.379   2.435
  416   1HB   TYR  51          HB2       TYR  51  -5.914   3.258   3.612
  417   2HB   TYR  51          HB3       TYR  51  -6.751   3.932   5.005
  418    HD1  TYR  51           HD1      TYR  51  -8.920   3.073   5.180
  419    HD2  TYR  51           HD2      TYR  51  -7.325   3.864   1.251
  420    HE1  TYR  51           HE1      TYR  51 -10.957   2.096   4.150
  421    HE2  TYR  51           HE2      TYR  51  -9.408   2.976   0.224
  422    HH   TYR  51           HH       TYR  51 -12.000   1.504   2.223
  423    H    ALA  52           H        ALA  52  -6.621   7.448   2.193
  424    HA   ALA  52           HA       ALA  52  -7.849   9.324   2.257
  425   1HB   ALA  52          HB1       ALA  52  -9.494   7.539   1.750
  426   2HB   ALA  52          HB2       ALA  52  -9.925   7.467   3.473
  427   3HB   ALA  52          HB3       ALA  52 -10.237   8.945   2.536
  428    H    GLY  53           H        GLY  53  -6.356   8.756   4.933
  429   1HA   GLY  53          HA2       GLY  53  -6.383  11.010   6.271
  430   2HA   GLY  53          HA3       GLY  53  -7.975  10.452   6.789
  431    H    LYS  54           H        LYS  54  -6.454   7.592   6.658
  432    HA   LYS  54           HA       LYS  54  -5.198   7.812   9.375
  433   1HB   LYS  54          HB2       LYS  54  -6.255   5.830  10.075
  434   2HB   LYS  54          HB3       LYS  54  -7.512   6.864   9.388
  435   1HG   LYS  54          HG2       LYS  54  -7.264   5.479   7.234
  436   2HG   LYS  54          HG3       LYS  54  -6.278   4.356   8.172
  437   1HD   LYS  54          HD2       LYS  54  -9.176   5.137   8.724
  438   2HD   LYS  54          HD3       LYS  54  -8.623   3.618   8.009
  439   1HE   LYS  54          HE2       LYS  54  -7.403   3.071  10.113
  440   2HE   LYS  54          HE3       LYS  54  -7.954   4.590  10.828
  441   1HZ   LYS  54          HZ1       LYS  54 -10.243   3.799  10.610
  442   2HZ   LYS  54          HZ2       LYS  54  -9.748   2.391   9.945
  443   3HZ   LYS  54          HZ3       LYS  54  -9.373   2.741  11.493
  444    H    ILE  55           H        ILE  55  -3.674   6.145   9.936
  445    HA   ILE  55           HA       ILE  55  -1.877   5.677   7.615
  446    HB   ILE  55           HB       ILE  55  -1.352   5.677  10.619
  447   1HG1  ILE  55          HG12      ILE  55  -0.447   7.706   8.530
  448   2HG1  ILE  55          HG13      ILE  55  -1.887   7.933   9.525
  449   1HG2  ILE  55          HG21      ILE  55   0.608   5.447   8.279
  450   2HG2  ILE  55          HG22      ILE  55   1.066   5.622   9.985
  451   3HG2  ILE  55          HG23      ILE  55   0.240   4.172   9.461
  452   1HD1  ILE  55          HD11      ILE  55  -0.108   9.177  10.514
  453   2HD1  ILE  55          HD12      ILE  55  -0.464   7.804  11.579
  454   3HD1  ILE  55          HD13      ILE  55   0.976   7.781  10.530
  455    H    LEU  56           H        LEU  56  -1.391   3.752   6.890
  456    HA   LEU  56           HA       LEU  56  -2.670   1.328   7.956
  457   1HB   LEU  56          HB2       LEU  56  -1.445   2.256   5.405
  458   2HB   LEU  56          HB3       LEU  56  -1.173   0.572   5.782
  459    HG   LEU  56           HG       LEU  56  -3.574   0.157   6.001
  460   1HD1  LEU  56          HD11      LEU  56  -5.218   1.850   5.331
  461   2HD1  LEU  56          HD12      LEU  56  -4.350   2.387   6.760
  462   3HD1  LEU  56          HD13      LEU  56  -3.928   3.070   5.177
  463   1HD2  LEU  56          HD21      LEU  56  -2.458  -0.068   3.798
  464   2HD2  LEU  56          HD22      LEU  56  -4.148   0.425   3.626
  465   3HD2  LEU  56          HD23      LEU  56  -2.854   1.626   3.427
  466    H    ASN  57           H        ASN  57  -1.780   0.436   9.663
  467    HA   ASN  57           HA       ASN  57   1.007   0.616  10.377
  468   1HB   ASN  57          HB2       ASN  57  -0.871   0.602  12.010
  469   2HB   ASN  57          HB3       ASN  57  -1.314  -1.020  11.482
  470   1HD2  ASN  57          HD21      ASN  57  -0.828  -2.322  13.227
  471   2HD2  ASN  57          HD22      ASN  57   0.740  -2.312  14.038
  472    H    ASP  58           H        ASP  58   2.621  -0.789  10.070
  473    HA   ASP  58           HA       ASP  58   2.479  -2.789   8.098
  474   1HB   ASP  58          HB2       ASP  58   4.434  -1.307   8.928
  475   2HB   ASP  58          HB3       ASP  58   4.684  -2.531  10.173
  476    H    ASP  59           H        ASP  59   1.595  -3.156  11.351
  477    HA   ASP  59           HA       ASP  59   1.898  -6.134  11.285
  478   1HB   ASP  59          HB2       ASP  59   2.002  -4.195  13.622
  479   2HB   ASP  59          HB3       ASP  59   1.971  -5.946  13.786
  480    H    THR  60           H        THR  60  -0.463  -4.096  10.574
  481    HA   THR  60           HA       THR  60  -2.607  -5.606  12.048
  482    HB   THR  60           HB       THR  60  -2.623  -2.780  10.953
  483    HG1  THR  60           HG1      THR  60  -2.930  -3.716  13.610
  484   1HG2  THR  60          HG21      THR  60  -4.878  -3.693  10.708
  485   2HG2  THR  60          HG22      THR  60  -4.835  -4.340  12.362
  486   3HG2  THR  60          HG23      THR  60  -4.842  -2.584  12.077
  487    H    ALA  61           H        ALA  61  -4.067  -6.692  10.866
  488    HA   ALA  61           HA       ALA  61  -3.531  -7.265   8.128
  489   1HB   ALA  61          HB1       ALA  61  -4.399  -8.899   9.702
  490   2HB   ALA  61          HB2       ALA  61  -5.908  -7.967   9.863
  491   3HB   ALA  61          HB3       ALA  61  -5.472  -8.721   8.305
  492    H    LEU  62           H        LEU  62  -4.543  -6.748   6.239
  493    HA   LEU  62           HA       LEU  62  -5.398  -4.084   6.021
  494   1HB   LEU  62          HB2       LEU  62  -5.490  -6.432   4.090
  495   2HB   LEU  62          HB3       LEU  62  -5.894  -4.792   3.590
  496    HG   LEU  62           HG       LEU  62  -3.232  -5.474   4.916
  497   1HD1  LEU  62          HD11      LEU  62  -2.230  -5.543   2.715
  498   2HD1  LEU  62          HD12      LEU  62  -3.460  -6.801   2.863
  499   3HD1  LEU  62          HD13      LEU  62  -3.823  -5.314   1.946
  500   1HD2  LEU  62          HD21      LEU  62  -4.171  -3.143   3.172
  501   2HD2  LEU  62          HD22      LEU  62  -3.883  -3.071   4.923
  502   3HD2  LEU  62          HD23      LEU  62  -2.542  -3.354   3.826
  503    H    LYS  63           H        LYS  63  -7.505  -6.962   6.073
  504    HA   LYS  63           HA       LYS  63  -9.905  -5.566   5.502
  505   1HB   LYS  63          HB2       LYS  63 -11.090  -7.414   6.160
  506   2HB   LYS  63          HB3       LYS  63  -9.584  -8.047   5.535
  507   1HG   LYS  63          HG2       LYS  63 -10.453  -7.868   8.455
  508   2HG   LYS  63          HG3       LYS  63 -10.299  -9.311   7.452
  509   1HD   LYS  63          HD2       LYS  63  -7.805  -8.751   7.271
  510   2HD   LYS  63          HD3       LYS  63  -8.053  -7.604   8.591
  511   1HE   LYS  63          HE2       LYS  63  -8.801 -10.569   8.694
  512   2HE   LYS  63          HE3       LYS  63  -7.236  -9.956   9.223
  513   1HZ   LYS  63          HZ1       LYS  63  -9.814  -9.094  10.419
  514   2HZ   LYS  63          HZ2       LYS  63  -8.825 -10.221  11.059
  515   3HZ   LYS  63          HZ3       LYS  63  -8.307  -8.683  10.953
  516    H    GLU  64           H        GLU  64  -8.053  -5.277   8.427
  517    HA   GLU  64           HA       GLU  64 -10.330  -4.207   9.989
  518   1HB   GLU  64          HB2       GLU  64  -7.378  -4.541  10.560
  519   2HB   GLU  64          HB3       GLU  64  -8.461  -3.651  11.634
  520   1HG   GLU  64          HG2       GLU  64  -9.820  -5.540  12.079
  521   2HG   GLU  64          HG3       GLU  64  -9.192  -6.445  10.710
  522    H    TYR  65           H        TYR  65  -8.182  -2.999   7.612
  523    HA   TYR  65           HA       TYR  65  -8.873  -0.172   8.263
  524   1HB   TYR  65          HB2       TYR  65  -7.113  -1.411   6.112
  525   2HB   TYR  65          HB3       TYR  65  -7.522   0.296   6.189
  526    HD1  TYR  65           HD1      TYR  65  -5.331  -2.280   7.553
  527    HD2  TYR  65           HD2      TYR  65  -6.953   1.665   8.208
  528    HE1  TYR  65           HE1      TYR  65  -3.613  -1.863   9.261
  529    HE2  TYR  65           HE2      TYR  65  -5.242   2.071   9.971
  530    HH   TYR  65           HH       TYR  65  -3.542   1.207  11.159
  531    H    LYS  66           H        LYS  66 -10.381  -2.756   6.803
  532    HA   LYS  66           HA       LYS  66 -11.914  -3.104   5.144
  533   1HB   LYS  66          HB2       LYS  66 -12.926  -0.430   6.183
  534   2HB   LYS  66          HB3       LYS  66 -13.862  -1.596   5.239
  535   1HG   LYS  66          HG2       LYS  66 -13.556  -3.301   7.022
  536   2HG   LYS  66          HG3       LYS  66 -12.678  -2.108   8.003
  537   1HD   LYS  66          HD2       LYS  66 -14.680  -0.643   8.020
  538   2HD   LYS  66          HD3       LYS  66 -15.564  -1.844   7.051
  539   1HE   LYS  66          HE2       LYS  66 -15.227  -3.532   8.844
  540   2HE   LYS  66          HE3       LYS  66 -14.354  -2.337   9.811
  541   1HZ   LYS  66          HZ1       LYS  66 -17.202  -2.109   8.988
  542   2HZ   LYS  66          HZ2       LYS  66 -16.681  -2.488  10.487
  543   3HZ   LYS  66          HZ3       LYS  66 -16.395  -1.001   9.880
  544    H    ILE  67           H        ILE  67  -9.638  -2.381   3.960
  545    HA   ILE  67           HA       ILE  67  -9.810  -0.207   2.084
  546    HB   ILE  67           HB       ILE  67  -8.250  -2.804   1.847
  547   1HG1  ILE  67          HG12      ILE  67  -7.607  -1.803   3.922
  548   2HG1  ILE  67          HG13      ILE  67  -6.315  -1.638   2.748
  549   1HG2  ILE  67          HG21      ILE  67  -7.942  -0.093   0.463
  550   2HG2  ILE  67          HG22      ILE  67  -6.713  -1.375   0.437
  551   3HG2  ILE  67          HG23      ILE  67  -8.294  -1.656  -0.298
  552   1HD1  ILE  67          HD11      ILE  67  -8.219   0.539   3.663
  553   2HD1  ILE  67          HD12      ILE  67  -6.500   0.388   4.052
  554   3HD1  ILE  67          HD13      ILE  67  -6.987   0.758   2.393
  555    H    ASP  68           H        ASP  68 -10.496  -0.158  -0.056
  556    HA   ASP  68           HA       ASP  68 -11.861  -2.536  -1.204
  557   1HB   ASP  68          HB2       ASP  68 -13.429  -0.963   0.121
  558   2HB   ASP  68          HB3       ASP  68 -13.156   0.209  -1.171
  559    H    GLU  69           H        GLU  69 -11.725  -2.672  -3.407
  560    HA   GLU  69           HA       GLU  69  -9.819  -1.023  -4.876
  561   1HB   GLU  69          HB2       GLU  69 -10.353  -2.523  -6.756
  562   2HB   GLU  69          HB3       GLU  69  -9.871  -3.359  -5.297
  563   1HG   GLU  69          HG2       GLU  69 -12.340  -3.796  -4.813
  564   2HG   GLU  69          HG3       GLU  69 -12.675  -3.175  -6.432
  565    H    LYS  70           H        LYS  70 -12.995  -0.523  -4.061
  566    HA   LYS  70           HA       LYS  70 -13.771   1.179  -6.370
  567   1HB   LYS  70          HB2       LYS  70 -14.974   0.782  -3.626
  568   2HB   LYS  70          HB3       LYS  70 -15.700   1.723  -4.941
  569   1HG   LYS  70          HG2       LYS  70 -15.860  -0.270  -6.368
  570   2HG   LYS  70          HG3       LYS  70 -15.021  -1.247  -5.165
  571   1HD   LYS  70          HD2       LYS  70 -16.970  -0.309  -3.569
  572   2HD   LYS  70          HD3       LYS  70 -17.789  -0.113  -5.124
  573   1HE   LYS  70          HE2       LYS  70 -18.410  -2.290  -4.335
  574   2HE   LYS  70          HE3       LYS  70 -17.189  -2.574  -5.589
  575   1HZ   LYS  70          HZ1       LYS  70 -16.704  -3.894  -3.599
  576   2HZ   LYS  70          HZ2       LYS  70 -15.528  -2.742  -3.751
  577   3HZ   LYS  70          HZ3       LYS  70 -16.660  -2.543  -2.656
  578    H    ASN  71           H        ASN  71 -11.851   1.477  -3.588
  579    HA   ASN  71           HA       ASN  71 -11.764   4.473  -3.659
  580   1HB   ASN  71          HB2       ASN  71 -11.288   2.559  -1.339
  581   2HB   ASN  71          HB3       ASN  71 -11.064   4.306  -1.268
  582   1HD2  ASN  71          HD21      ASN  71 -12.814   2.646   0.362
  583   2HD2  ASN  71          HD22      ASN  71 -14.437   3.287   0.094
  584    H    PHE  72           H        PHE  72  -9.426   4.958  -2.430
  585    HA   PHE  72           HA       PHE  72  -7.335   3.169  -3.452
  586   1HB   PHE  72          HB2       PHE  72  -6.035   4.996  -4.452
  587   2HB   PHE  72          HB3       PHE  72  -7.533   4.676  -5.289
  588    HD1  PHE  72           HD1      PHE  72  -8.926   6.462  -5.882
  589    HD2  PHE  72           HD2      PHE  72  -6.059   7.005  -2.700
  590    HE1  PHE  72           HE1      PHE  72  -9.466   8.877  -5.802
  591    HE2  PHE  72           HE2      PHE  72  -6.649   9.407  -2.583
  592    HZ   PHE  72           HZ       PHE  72  -8.356  10.354  -4.130
  593    H    VAL  73           H        VAL  73  -5.277   3.622  -2.706
  594    HA   VAL  73           HA       VAL  73  -5.038   4.658   0.094
  595    HB   VAL  73           HB       VAL  73  -4.017   2.184  -1.323
  596   1HG1  VAL  73          HG11      VAL  73  -2.029   3.076  -0.170
  597   2HG1  VAL  73          HG12      VAL  73  -2.948   3.142   1.353
  598   3HG1  VAL  73          HG13      VAL  73  -2.623   1.590   0.574
  599   1HG2  VAL  73          HG21      VAL  73  -4.940   0.986   0.584
  600   2HG2  VAL  73          HG22      VAL  73  -5.375   2.515   1.366
  601   3HG2  VAL  73          HG23      VAL  73  -6.182   2.014  -0.140
  602    H    VAL  74           H        VAL  74  -2.973   5.674   0.538
  603    HA   VAL  74           HA       VAL  74  -1.508   6.626  -1.914
  604    HB   VAL  74           HB       VAL  74  -1.943   8.246   0.613
  605   1HG1  VAL  74          HG11      VAL  74  -0.944   8.984  -2.177
  606   2HG1  VAL  74          HG12      VAL  74  -1.224  10.124  -0.844
  607   3HG1  VAL  74          HG13      VAL  74   0.039   8.904  -0.696
  608   1HG2  VAL  74          HG21      VAL  74  -4.142   7.993  -0.419
  609   2HG2  VAL  74          HG22      VAL  74  -3.532   9.618  -0.726
  610   3HG2  VAL  74          HG23      VAL  74  -3.478   8.396  -2.016
  611    H    VAL  75           H        VAL  75   0.671   6.510  -1.884
  612    HA   VAL  75           HA       VAL  75   2.005   5.305   0.507
  613    HB   VAL  75           HB       VAL  75   2.946   5.226  -2.371
  614   1HG1  VAL  75          HG11      VAL  75   4.725   4.805  -0.730
  615   2HG1  VAL  75          HG12      VAL  75   3.719   3.579   0.072
  616   3HG1  VAL  75          HG13      VAL  75   4.314   3.318  -1.577
  617   1HG2  VAL  75          HG21      VAL  75   1.332   3.124  -0.878
  618   2HG2  VAL  75          HG22      VAL  75   0.825   4.015  -2.326
  619   3HG2  VAL  75          HG23      VAL  75   2.158   2.866  -2.427
  620    H    MET  76           H        MET  76   3.821   6.227   1.348
  621    HA   MET  76           HA       MET  76   5.073   8.619   0.101
  622   1HB   MET  76          HB2       MET  76   4.900   9.854   2.222
  623   2HB   MET  76          HB3       MET  76   3.307   9.478   1.563
  624   1HG   MET  76          HG2       MET  76   3.171   7.519   3.139
  625   2HG   MET  76          HG3       MET  76   4.705   8.038   3.849
  626   1HE   MET  76          HE1       MET  76   3.525   7.993   6.277
  627   2HE   MET  76          HE2       MET  76   1.966   8.785   6.595
  628   3HE   MET  76          HE3       MET  76   2.053   7.425   5.453
  629    H    VAL  77           H        VAL  77   7.206   9.148   1.176
  630    HA   VAL  77           HA       VAL  77   8.472   6.735   2.423
  631    HB   VAL  77           HB       VAL  77   9.700   8.269   0.106
  632   1HG1  VAL  77          HG11      VAL  77  11.318   6.418   0.087
  633   2HG1  VAL  77          HG12      VAL  77  11.331   7.207   1.663
  634   3HG1  VAL  77          HG13      VAL  77  10.495   5.649   1.463
  635   1HG2  VAL  77          HG21      VAL  77   8.315   5.557   0.100
  636   2HG2  VAL  77          HG22      VAL  77   7.836   7.000  -0.816
  637   3HG2  VAL  77          HG23      VAL  77   9.340   6.174  -1.211
  638    H    THR  78           H        THR  78   9.474   7.239   4.231
  639    HA   THR  78           HA       THR  78  11.131   9.657   4.400
  640    HB   THR  78           HB       THR  78   8.959  10.473   5.178
  641    HG1  THR  78           HG1      THR  78   9.758  11.351   7.060
  642   1HG2  THR  78          HG21      THR  78   7.980   9.758   7.287
  643   2HG2  THR  78          HG22      THR  78   8.024   8.385   6.170
  644   3HG2  THR  78          HG23      THR  78   9.219   8.499   7.485
  645    H    LYS  79           H        LYS  79  12.723   9.601   6.004
  646    HA   LYS  79           HA       LYS  79  12.996   7.324   7.803
  647   1HB   LYS  79          HB2       LYS  79  13.878   6.623   5.432
  648   2HB   LYS  79          HB3       LYS  79  15.179   7.766   5.705
  649   1HG   LYS  79          HG2       LYS  79  15.990   5.594   6.245
  650   2HG   LYS  79          HG3       LYS  79  15.801   6.435   7.784
  651   1HD   LYS  79          HD2       LYS  79  13.602   5.245   8.121
  652   2HD   LYS  79          HD3       LYS  79  13.824   4.443   6.561
  653   1HE   LYS  79          HE2       LYS  79  15.837   3.319   7.369
  654   2HE   LYS  79          HE3       LYS  79  15.771   4.206   8.901
  655   1HZ   LYS  79          HZ1       LYS  79  14.804   1.937   9.038
  656   2HZ   LYS  79          HZ2       LYS  79  13.710   3.082   9.432
  657   3HZ   LYS  79          HZ3       LYS  79  13.633   2.365   7.968
  658    HA   PRO  80           HA       PRO  80  14.787  10.784   9.923
  659   1HB   PRO  80          HB2       PRO  80  16.065   9.611  12.077
  660   2HB   PRO  80          HB3       PRO  80  14.292   9.787  11.918
  661   1HG   PRO  80          HG2       PRO  80  15.995   7.375  11.223
  662   2HG   PRO  80          HG3       PRO  80  14.487   7.424  12.192
  663   1HD   PRO  80          HD2       PRO  80  14.443   6.748   9.585
  664   2HD   PRO  80          HD3       PRO  80  13.155   7.783  10.262
  665    H    LYS  81           H        LYS  81  16.843   8.430   8.522
  666    HA   LYS  81           HA       LYS  81  19.420   9.709   8.889
  667   1HB   LYS  81          HB2       LYS  81  18.359   7.892   6.675
  668   2HB   LYS  81          HB3       LYS  81  20.044   8.399   6.852
  669   1HG   LYS  81          HG2       LYS  81  20.130   7.339   9.104
  670   2HG   LYS  81          HG3       LYS  81  18.470   6.750   8.881
  671   1HD   LYS  81          HD2       LYS  81  19.183   5.464   6.887
  672   2HD   LYS  81          HD3       LYS  81  20.841   6.071   7.083
  673   1HE   LYS  81          HE2       LYS  81  20.945   5.025   9.342
  674   2HE   LYS  81          HE3       LYS  81  19.309   4.392   9.123
  675   1HZ   LYS  81          HZ1       LYS  81  20.986   2.726   8.562
  676   2HZ   LYS  81          HZ2       LYS  81  20.141   3.105   7.218
  677   3HZ   LYS  81          HZ3       LYS  81  21.652   3.692   7.429
  678    H    ALA  82           H        ALA  82  16.694  10.478   6.802
  679    HA   ALA  82           HA       ALA  82  18.256  12.203   5.010
  680   1HB   ALA  82          HB1       ALA  82  16.068  12.655   3.994
  681   2HB   ALA  82          HB2       ALA  82  16.339  10.910   4.168
  682   3HB   ALA  82          HB3       ALA  82  15.254  11.760   5.292
  683    H    VAL  83           H        VAL  83  19.036  14.044   5.828
  684    HA   VAL  83           HA       VAL  83  17.245  15.965   7.217
  685    HB   VAL  83           HB       VAL  83  19.056  16.578   8.792
  686   1HG1  VAL  83          HG11      VAL  83  18.689  14.814  10.400
  687   2HG1  VAL  83          HG12      VAL  83  17.191  15.109   9.501
  688   3HG1  VAL  83          HG13      VAL  83  18.188  13.686   9.126
  689   1HG2  VAL  83          HG21      VAL  83  21.018  15.605   7.623
  690   2HG2  VAL  83          HG22      VAL  83  20.887  15.043   9.294
  691   3HG2  VAL  83          HG23      VAL  83  20.406  13.971   7.967
  692    H    SER  84           H        SER  84  17.977  18.152   7.162
  693    HA   SER  84           HA       SER  84  20.094  18.828   5.183
  694   1HB   SER  84          HB2       SER  84  17.829  18.948   4.111
  695   2HB   SER  84          HB3       SER  84  17.384  20.195   5.294
  696    HG   SER  84           HG       SER  84  18.196  21.061   3.299
  697    H    THR  85           H        THR  85  21.096  20.831   5.509
  698    HA   THR  85           HA       THR  85  20.701  22.271   8.084
  699    HB   THR  85           HB       THR  85  23.381  21.107   7.237
  700    HG1  THR  85           HG1      THR  85  23.102  19.745   8.997
  701   1HG2  THR  85          HG21      THR  85  22.493  22.574   9.768
  702   2HG2  THR  85          HG22      THR  85  24.083  21.815   9.522
  703   3HG2  THR  85          HG23      THR  85  23.608  23.199   8.532
  Start of MODEL    7
    1   1H    GLY   1           H1       GLY   1 -11.733 -17.656  -6.678
    2   2H    GLY   1           H2       GLY   1 -12.383 -17.382  -5.199
    3   3H    GLY   1           H3       GLY   1 -11.109 -18.400  -5.357
    4   1HA   GLY   1          HA2       GLY   1  -9.668 -16.602  -6.040
    5   2HA   GLY   1          HA3       GLY   1 -11.048 -15.498  -5.888
    6    H    SER   2           H        SER   2  -8.399 -15.625  -4.484
    7    HA   SER   2           HA       SER   2  -9.335 -15.656  -1.634
    8   1HB   SER   2          HB2       SER   2  -6.740 -16.847  -2.683
    9   2HB   SER   2          HB3       SER   2  -7.293 -16.840  -1.001
   10    HG   SER   2           HG       SER   2  -9.031 -18.176  -1.606
   11    H    HIS   3           H        HIS   3  -8.520 -13.476  -3.709
   12    HA   HIS   3           HA       HIS   3  -6.829 -11.861  -1.870
   13   1HB   HIS   3          HB2       HIS   3  -6.308 -12.411  -4.810
   14   2HB   HIS   3          HB3       HIS   3  -5.774 -10.925  -4.049
   15    HD1  HIS   3           HD1      HIS   3  -5.307 -13.960  -1.826
   16    HD2  HIS   3           HD2      HIS   3  -3.242 -11.637  -4.657
   17    HE1  HIS   3           HE1      HIS   3  -2.842 -14.575  -1.595
   18    H    MET   4           H        MET   4  -6.935  -9.540  -2.417
   19    HA   MET   4           HA       MET   4  -9.337  -8.685  -3.960
   20   1HB   MET   4          HB2       MET   4  -9.975  -7.075  -2.339
   21   2HB   MET   4          HB3       MET   4  -9.880  -8.625  -1.505
   22   1HG   MET   4          HG2       MET   4  -7.699  -7.988  -0.537
   23   2HG   MET   4          HG3       MET   4  -7.708  -6.483  -1.463
   24   1HE   MET   4          HE1       MET   4  -8.098  -4.928   1.991
   25   2HE   MET   4          HE2       MET   4  -7.009  -6.206   1.395
   26   3HE   MET   4          HE3       MET   4  -7.356  -4.787   0.382
   27    H    GLN   5           H        GLN   5  -9.165  -6.558  -4.856
   28    HA   GLN   5           HA       GLN   5  -6.360  -5.779  -5.397
   29   1HB   GLN   5          HB2       GLN   5  -7.504  -6.396  -7.299
   30   2HB   GLN   5          HB3       GLN   5  -8.979  -5.545  -6.875
   31   1HG   GLN   5          HG2       GLN   5  -6.408  -4.061  -7.523
   32   2HG   GLN   5          HG3       GLN   5  -7.507  -4.634  -8.771
   33   1HE2  GLN   5          HE21      GLN   5  -9.922  -3.915  -8.474
   34   2HE2  GLN   5          HE22      GLN   5 -10.161  -2.317  -7.778
   35    H    VAL   6           H        VAL   6  -5.622  -3.695  -5.262
   36    HA   VAL   6           HA       VAL   6  -7.298  -1.587  -4.022
   37    HB   VAL   6           HB       VAL   6  -4.507  -2.269  -3.002
   38   1HG1  VAL   6          HG11      VAL   6  -6.681  -0.389  -1.971
   39   2HG1  VAL   6          HG12      VAL   6  -5.104  -0.689  -1.198
   40   3HG1  VAL   6          HG13      VAL   6  -5.181   0.106  -2.766
   41   1HG2  VAL   6          HG21      VAL   6  -5.604  -2.965  -0.875
   42   2HG2  VAL   6          HG22      VAL   6  -7.190  -2.855  -1.665
   43   3HG2  VAL   6          HG23      VAL   6  -5.994  -4.058  -2.202
   44    H    THR   7           H        THR   7  -6.762   0.442  -4.703
   45    HA   THR   7           HA       THR   7  -4.874   0.709  -7.006
   46    HB   THR   7           HB       THR   7  -7.189   2.448  -6.059
   47    HG1  THR   7           HG1      THR   7  -7.702   0.403  -7.023
   48   1HG2  THR   7          HG21      THR   7  -6.965   3.548  -8.282
   49   2HG2  THR   7          HG22      THR   7  -5.566   3.837  -7.243
   50   3HG2  THR   7          HG23      THR   7  -5.461   2.644  -8.562
   51    H    LEU   8           H        LEU   8  -3.041   1.901  -6.747
   52    HA   LEU   8           HA       LEU   8  -2.650   3.315  -4.134
   53   1HB   LEU   8          HB2       LEU   8  -0.533   1.913  -5.772
   54   2HB   LEU   8          HB3       LEU   8  -0.384   2.589  -4.155
   55    HG   LEU   8           HG       LEU   8  -1.760   0.046  -5.065
   56   1HD1  LEU   8          HD11      LEU   8   0.318   0.639  -2.907
   57   2HD1  LEU   8          HD12      LEU   8  -0.260  -0.968  -3.419
   58   3HD1  LEU   8          HD13      LEU   8   0.645   0.052  -4.540
   59   1HD2  LEU   8          HD21      LEU   8  -1.907   1.326  -2.277
   60   2HD2  LEU   8          HD22      LEU   8  -3.270   1.096  -3.370
   61   3HD2  LEU   8          HD23      LEU   8  -2.466  -0.316  -2.691
   62    H    LYS   9           H        LYS   9  -2.213   5.410  -4.263
   63    HA   LYS   9           HA       LYS   9  -1.183   6.639  -6.798
   64   1HB   LYS   9          HB2       LYS   9  -2.445   7.894  -4.315
   65   2HB   LYS   9          HB3       LYS   9  -1.808   8.788  -5.702
   66   1HG   LYS   9          HG2       LYS   9  -3.417   7.490  -7.157
   67   2HG   LYS   9          HG3       LYS   9  -4.161   6.861  -5.677
   68   1HD   LYS   9          HD2       LYS   9  -5.517   8.691  -6.294
   69   2HD   LYS   9          HD3       LYS   9  -4.489   9.332  -5.010
   70   1HE   LYS   9          HE2       LYS   9  -4.573  10.989  -6.735
   71   2HE   LYS   9          HE3       LYS   9  -2.960  10.273  -6.801
   72   1HZ   LYS   9          HZ1       LYS   9  -3.764   8.873  -8.673
   73   2HZ   LYS   9          HZ2       LYS   9  -5.231   9.588  -8.599
   74   3HZ   LYS   9          HZ3       LYS   9  -3.923  10.465  -9.020
   75    H    THR  10           H        THR  10   0.667   7.930  -6.797
   76    HA   THR  10           HA       THR  10   2.548   7.492  -4.518
   77    HB   THR  10           HB       THR  10   4.289   8.157  -6.058
   78    HG1  THR  10           HG1      THR  10   3.662   8.573  -8.253
   79   1HG2  THR  10          HG21      THR  10   3.508   5.791  -6.197
   80   2HG2  THR  10          HG22      THR  10   2.427   6.250  -7.534
   81   3HG2  THR  10          HG23      THR  10   4.187   6.399  -7.716
   82    H    LEU  11           H        LEU  11   4.061   9.273  -4.005
   83    HA   LEU  11           HA       LEU  11   2.825  11.882  -3.619
   84   1HB   LEU  11          HB2       LEU  11   4.761  12.456  -2.454
   85   2HB   LEU  11          HB3       LEU  11   4.431  10.790  -2.023
   86    HG   LEU  11           HG       LEU  11   6.597  11.765  -3.954
   87   1HD1  LEU  11          HD11      LEU  11   8.141  11.081  -2.183
   88   2HD1  LEU  11          HD12      LEU  11   7.008  12.298  -1.584
   89   3HD1  LEU  11          HD13      LEU  11   6.773  10.591  -1.153
   90   1HD2  LEU  11          HD21      LEU  11   5.977   9.521  -4.662
   91   2HD2  LEU  11          HD22      LEU  11   7.495   9.437  -3.782
   92   3HD2  LEU  11          HD23      LEU  11   5.997   8.938  -2.974
   93    H    GLN  12           H        GLN  12   3.717  10.549  -6.389
   94    HA   GLN  12           HA       GLN  12   5.148  12.836  -7.607
   95   1HB   GLN  12          HB2       GLN  12   6.446  10.773  -6.810
   96   2HB   GLN  12          HB3       GLN  12   5.550   9.832  -7.992
   97   1HG   GLN  12          HG2       GLN  12   7.761  10.356  -8.756
   98   2HG   GLN  12          HG3       GLN  12   6.580  11.125  -9.808
   99   1HE2  GLN  12          HE21      GLN  12   8.921  11.757  -7.140
  100   2HE2  GLN  12          HE22      GLN  12   9.094  13.466  -7.513
  101    H    GLN  13           H        GLN  13   2.240  11.978  -7.551
  102    HA   GLN  13           HA       GLN  13   0.430  12.010  -8.888
  103   1HB   GLN  13          HB2       GLN  13   2.277  13.600 -10.706
  104   2HB   GLN  13          HB3       GLN  13   0.521  13.538 -10.810
  105   1HG   GLN  13          HG2       GLN  13   1.039  15.552  -9.677
  106   2HG   GLN  13          HG3       GLN  13   0.355  14.454  -8.488
  107   1HE2  GLN  13          HE21      GLN  13   1.431  14.656  -6.512
  108   2HE2  GLN  13          HE22      GLN  13   3.166  14.909  -6.368
  109    H    GLN  14           H        GLN  14   1.287   9.555  -8.970
  110    HA   GLN  14           HA       GLN  14   0.576   8.602 -11.675
  111   1HB   GLN  14          HB2       GLN  14   3.067   8.545 -11.446
  112   2HB   GLN  14          HB3       GLN  14   2.905   7.590  -9.968
  113   1HG   GLN  14          HG2       GLN  14   1.864   5.760 -11.232
  114   2HG   GLN  14          HG3       GLN  14   1.958   6.716 -12.722
  115   1HE2  GLN  14          HE21      GLN  14   4.220   7.241 -13.528
  116   2HE2  GLN  14          HE22      GLN  14   5.509   6.126 -13.098
  117    H    THR  15           H        THR  15  -0.514   6.523 -11.557
  118    HA   THR  15           HA       THR  15  -1.159   5.509  -8.850
  119    HB   THR  15           HB       THR  15  -3.371   5.734 -10.893
  120    HG1  THR  15           HG1      THR  15  -2.727   7.824 -10.529
  121   1HG2  THR  15          HG21      THR  15  -3.290   5.444  -7.864
  122   2HG2  THR  15          HG22      THR  15  -4.766   5.713  -8.810
  123   3HG2  THR  15          HG23      THR  15  -3.802   4.237  -9.041
  124    H    PHE  16           H        PHE  16  -1.484   3.296  -8.706
  125    HA   PHE  16           HA       PHE  16  -1.482   1.642 -11.168
  126   1HB   PHE  16          HB2       PHE  16   0.419   0.328 -10.416
  127   2HB   PHE  16          HB3       PHE  16   0.858   1.992 -10.702
  128    HD1  PHE  16           HD1      PHE  16   0.989  -0.734  -8.319
  129    HD2  PHE  16           HD2      PHE  16   1.093   3.584  -8.655
  130    HE1  PHE  16           HE1      PHE  16   2.128  -0.574  -6.161
  131    HE2  PHE  16           HE2      PHE  16   2.196   3.716  -6.441
  132    HZ   PHE  16           HZ       PHE  16   2.738   1.631  -5.195
  133    H    LYS  17           H        LYS  17  -1.550  -0.760 -10.507
  134    HA   LYS  17           HA       LYS  17  -3.811  -1.087  -8.563
  135   1HB   LYS  17          HB2       LYS  17  -3.458  -2.296 -11.350
  136   2HB   LYS  17          HB3       LYS  17  -4.815  -2.588 -10.278
  137   1HG   LYS  17          HG2       LYS  17  -4.088   0.108 -11.525
  138   2HG   LYS  17          HG3       LYS  17  -5.284  -1.001 -12.158
  139   1HD   LYS  17          HD2       LYS  17  -5.419   0.301  -9.410
  140   2HD   LYS  17          HD3       LYS  17  -6.238   0.916 -10.836
  141   1HE   LYS  17          HE2       LYS  17  -6.725  -1.842  -9.618
  142   2HE   LYS  17          HE3       LYS  17  -7.697  -0.415  -9.285
  143   1HZ   LYS  17          HZ1       LYS  17  -8.730  -1.728 -11.009
  144   2HZ   LYS  17          HZ2       LYS  17  -8.270  -0.301 -11.644
  145   3HZ   LYS  17          HZ3       LYS  17  -7.410  -1.655 -11.966
  146    H    ILE  18           H        ILE  18  -3.486  -2.538  -7.103
  147    HA   ILE  18           HA       ILE  18  -1.472  -4.736  -7.411
  148    HB   ILE  18           HB       ILE  18  -2.032  -2.763  -5.146
  149   1HG1  ILE  18          HG12      ILE  18  -0.624  -1.740  -6.765
  150   2HG1  ILE  18          HG13      ILE  18   0.361  -2.178  -5.386
  151   1HG2  ILE  18          HG21      ILE  18  -0.095  -3.891  -3.958
  152   2HG2  ILE  18          HG22      ILE  18  -1.623  -4.773  -3.974
  153   3HG2  ILE  18          HG23      ILE  18  -0.321  -5.249  -5.086
  154   1HD1  ILE  18          HD11      ILE  18   0.335  -3.496  -8.114
  155   2HD1  ILE  18          HD12      ILE  18   1.682  -2.707  -7.287
  156   3HD1  ILE  18          HD13      ILE  18   1.087  -4.269  -6.716
  157    H    ASP  19           H        ASP  19  -1.871  -6.641  -6.111
  158    HA   ASP  19           HA       ASP  19  -4.434  -6.793  -4.701
  159   1HB   ASP  19          HB2       ASP  19  -5.175  -8.799  -5.763
  160   2HB   ASP  19          HB3       ASP  19  -4.976  -7.545  -6.974
  161    H    ILE  20           H        ILE  20  -4.410  -8.048  -2.940
  162    HA   ILE  20           HA       ILE  20  -2.375 -10.077  -2.434
  163    HB   ILE  20           HB       ILE  20  -1.581  -9.301  -0.368
  164   1HG1  ILE  20          HG12      ILE  20  -3.395  -8.159   0.643
  165   2HG1  ILE  20          HG13      ILE  20  -1.979  -7.148   0.663
  166   1HG2  ILE  20          HG21      ILE  20  -1.161  -6.999  -2.305
  167   2HG2  ILE  20          HG22      ILE  20  -0.124  -7.455  -0.932
  168   3HG2  ILE  20          HG23      ILE  20  -0.295  -8.547  -2.296
  169   1HD1  ILE  20          HD11      ILE  20  -2.957  -5.837  -1.278
  170   2HD1  ILE  20          HD12      ILE  20  -4.433  -6.826  -1.109
  171   3HD1  ILE  20          HD13      ILE  20  -3.910  -5.787   0.218
  172    H    ASP  21           H        ASP  21  -2.884 -11.193  -0.241
  173    HA   ASP  21           HA       ASP  21  -5.608 -12.022  -0.130
  174   1HB   ASP  21          HB2       ASP  21  -3.647 -13.359   0.526
  175   2HB   ASP  21          HB3       ASP  21  -3.383 -12.306   1.900
  176    HA   PRO  22           HA       PRO  22  -7.282  -8.521   2.102
  177   1HB   PRO  22          HB2       PRO  22  -9.717  -9.515   2.923
  178   2HB   PRO  22          HB3       PRO  22  -9.336  -9.078   1.233
  179   1HG   PRO  22          HG2       PRO  22  -9.189 -11.821   2.504
  180   2HG   PRO  22          HG3       PRO  22  -9.997 -11.349   0.971
  181   1HD   PRO  22          HD2       PRO  22  -7.527 -12.421   0.946
  182   2HD   PRO  22          HD3       PRO  22  -7.919 -11.043  -0.129
  183    H    GLU  23           H        GLU  23  -6.595 -11.508   3.758
  184    HA   GLU  23           HA       GLU  23  -6.849 -10.167   6.418
  185   1HB   GLU  23          HB2       GLU  23  -7.068 -13.130   5.781
  186   2HB   GLU  23          HB3       GLU  23  -7.206 -12.372   7.373
  187   1HG   GLU  23          HG2       GLU  23  -9.171 -11.033   6.465
  188   2HG   GLU  23          HG3       GLU  23  -9.122 -12.054   5.030
  189    H    GLU  24           H        GLU  24  -4.511 -10.710   4.247
  190    HA   GLU  24           HA       GLU  24  -2.403 -11.512   6.173
  191   1HB   GLU  24          HB2       GLU  24  -2.281 -12.214   3.815
  192   2HB   GLU  24          HB3       GLU  24  -2.305 -10.524   3.293
  193   1HG   GLU  24          HG2       GLU  24  -0.080 -11.465   3.168
  194   2HG   GLU  24          HG3       GLU  24  -0.132 -10.159   4.342
  195    H    THR  25           H        THR  25  -0.563  -9.854   6.464
  196    HA   THR  25           HA       THR  25  -1.825  -7.357   7.387
  197    HB   THR  25           HB       THR  25   0.209  -6.881   8.541
  198    HG1  THR  25           HG1      THR  25   2.002  -8.055   8.314
  199   1HG2  THR  25          HG21      THR  25   0.347  -8.731  10.091
  200   2HG2  THR  25          HG22      THR  25  -1.344  -8.513   9.611
  201   3HG2  THR  25          HG23      THR  25  -0.391  -9.841   8.917
  202    H    VAL  26           H        VAL  26  -0.795  -5.262   7.139
  203    HA   VAL  26           HA       VAL  26  -0.512  -4.432   4.443
  204    HB   VAL  26           HB       VAL  26   0.544  -3.062   6.919
  205   1HG1  VAL  26          HG11      VAL  26   1.465  -1.990   4.929
  206   2HG1  VAL  26          HG12      VAL  26  -0.155  -1.903   4.201
  207   3HG1  VAL  26          HG13      VAL  26   0.248  -0.962   5.658
  208   1HG2  VAL  26          HG21      VAL  26  -1.584  -1.890   7.008
  209   2HG2  VAL  26          HG22      VAL  26  -2.142  -2.679   5.516
  210   3HG2  VAL  26          HG23      VAL  26  -1.932  -3.600   7.020
  211    H    LYS  27           H        LYS  27   2.017  -5.705   6.576
  212    HA   LYS  27           HA       LYS  27   4.365  -4.923   5.195
  213   1HB   LYS  27          HB2       LYS  27   4.332  -6.144   7.310
  214   2HB   LYS  27          HB3       LYS  27   3.661  -7.576   6.513
  215   1HG   LYS  27          HG2       LYS  27   5.699  -7.843   5.200
  216   2HG   LYS  27          HG3       LYS  27   6.377  -6.345   5.877
  217   1HD   LYS  27          HD2       LYS  27   6.311  -7.342   8.139
  218   2HD   LYS  27          HD3       LYS  27   5.626  -8.835   7.491
  219   1HE   LYS  27          HE2       LYS  27   8.350  -7.683   6.722
  220   2HE   LYS  27          HE3       LYS  27   8.098  -8.908   7.968
  221   1HZ   LYS  27          HZ1       LYS  27   7.492  -9.236   5.073
  222   2HZ   LYS  27          HZ2       LYS  27   8.697  -9.952   5.893
  223   3HZ   LYS  27          HZ3       LYS  27   7.150 -10.361   6.226
  224    H    ALA  28           H        ALA  28   2.062  -7.559   4.273
  225    HA   ALA  28           HA       ALA  28   3.702  -8.535   2.118
  226   1HB   ALA  28          HB1       ALA  28   1.918  -9.836   3.190
  227   2HB   ALA  28          HB2       ALA  28   0.690  -8.707   2.577
  228   3HB   ALA  28          HB3       ALA  28   1.632  -9.701   1.442
  229    H    LEU  29           H        LEU  29   1.008  -6.172   2.155
  230    HA   LEU  29           HA       LEU  29   0.980  -5.520  -0.645
  231   1HB   LEU  29          HB2       LEU  29  -0.965  -5.117   0.621
  232   2HB   LEU  29          HB3       LEU  29  -0.075  -4.431   1.970
  233    HG   LEU  29           HG       LEU  29   0.378  -2.414   0.733
  234   1HD1  LEU  29          HD11      LEU  29   0.235  -3.228  -1.637
  235   2HD1  LEU  29          HD12      LEU  29  -1.483  -3.598  -1.404
  236   3HD1  LEU  29          HD13      LEU  29  -0.913  -1.916  -1.359
  237   1HD2  LEU  29          HD21      LEU  29  -1.880  -1.489   0.821
  238   2HD2  LEU  29          HD22      LEU  29  -2.573  -3.122   0.743
  239   3HD2  LEU  29          HD23      LEU  29  -1.629  -2.612   2.166
  240    H    LYS  30           H        LYS  30   2.727  -4.180   2.164
  241    HA   LYS  30           HA       LYS  30   3.846  -2.008   0.583
  242   1HB   LYS  30          HB2       LYS  30   3.062  -1.790   2.898
  243   2HB   LYS  30          HB3       LYS  30   4.175  -3.013   3.466
  244   1HG   LYS  30          HG2       LYS  30   5.177  -0.401   2.294
  245   2HG   LYS  30          HG3       LYS  30   4.571  -0.516   3.938
  246   1HD   LYS  30          HD2       LYS  30   6.254  -2.536   4.180
  247   2HD   LYS  30          HD3       LYS  30   7.012  -1.841   2.749
  248   1HE   LYS  30          HE2       LYS  30   8.122  -1.072   4.774
  249   2HE   LYS  30          HE3       LYS  30   7.356   0.304   3.984
  250   1HZ   LYS  30          HZ1       LYS  30   5.621   0.251   5.624
  251   2HZ   LYS  30          HZ2       LYS  30   6.088  -1.191   6.222
  252   3HZ   LYS  30          HZ3       LYS  30   7.020   0.145   6.452
  253    H    GLU  31           H        GLU  31   5.164  -5.103   1.711
  254    HA   GLU  31           HA       GLU  31   7.812  -4.586   0.670
  255   1HB   GLU  31          HB2       GLU  31   6.316  -7.165   1.253
  256   2HB   GLU  31          HB3       GLU  31   7.960  -7.117   0.609
  257   1HG   GLU  31          HG2       GLU  31   8.688  -5.732   2.539
  258   2HG   GLU  31          HG3       GLU  31   7.099  -5.902   3.266
  259    H    LYS  32           H        LYS  32   4.843  -6.016  -0.905
  260    HA   LYS  32           HA       LYS  32   6.332  -6.941  -3.123
  261   1HB   LYS  32          HB2       LYS  32   4.290  -7.550  -4.057
  262   2HB   LYS  32          HB3       LYS  32   4.042  -7.640  -2.327
  263   1HG   LYS  32          HG2       LYS  32   2.142  -6.472  -2.750
  264   2HG   LYS  32          HG3       LYS  32   3.205  -5.089  -2.700
  265   1HD   LYS  32          HD2       LYS  32   1.801  -4.930  -4.669
  266   2HD   LYS  32          HD3       LYS  32   3.425  -5.146  -5.196
  267   1HE   LYS  32          HE2       LYS  32   1.768  -6.472  -6.515
  268   2HE   LYS  32          HE3       LYS  32   3.098  -7.412  -5.857
  269   1HZ   LYS  32          HZ1       LYS  32   0.381  -7.336  -4.635
  270   2HZ   LYS  32          HZ2       LYS  32   0.945  -8.526  -5.585
  271   3HZ   LYS  32          HZ3       LYS  32   1.636  -8.260  -4.141
  272    H    ILE  33           H        ILE  33   4.942  -3.680  -2.680
  273    HA   ILE  33           HA       ILE  33   5.182  -3.051  -5.472
  274    HB   ILE  33           HB       ILE  33   4.509  -0.881  -5.040
  275   1HG1  ILE  33          HG12      ILE  33   3.972  -0.274  -2.491
  276   2HG1  ILE  33          HG13      ILE  33   5.403  -1.257  -2.191
  277   1HG2  ILE  33          HG21      ILE  33   2.404  -1.263  -3.897
  278   2HG2  ILE  33          HG22      ILE  33   2.830  -2.636  -4.931
  279   3HG2  ILE  33          HG23      ILE  33   3.020  -2.738  -3.169
  280   1HD1  ILE  33          HD11      ILE  33   5.270   1.107  -4.140
  281   2HD1  ILE  33          HD12      ILE  33   5.823   1.225  -2.470
  282   3HD1  ILE  33          HD13      ILE  33   6.740   0.247  -3.627
  283    H    GLU  34           H        GLU  34   7.529  -2.979  -2.892
  284    HA   GLU  34           HA       GLU  34   9.506  -1.259  -4.058
  285   1HB   GLU  34          HB2       GLU  34   9.600  -2.313  -1.769
  286   2HB   GLU  34          HB3       GLU  34   9.981  -3.856  -2.551
  287   1HG   GLU  34          HG2       GLU  34  12.022  -2.772  -3.564
  288   2HG   GLU  34          HG3       GLU  34  11.637  -1.305  -2.670
  289    H    SER  35           H        SER  35   8.553  -4.630  -4.854
  290    HA   SER  35           HA       SER  35  10.659  -5.023  -6.820
  291   1HB   SER  35          HB2       SER  35   8.011  -6.484  -6.499
  292   2HB   SER  35          HB3       SER  35   9.401  -7.014  -7.458
  293    HG   SER  35           HG       SER  35   9.358  -8.010  -5.391
  294    H    GLU  36           H        GLU  36   7.749  -3.188  -6.930
  295    HA   GLU  36           HA       GLU  36   7.413  -3.482  -9.882
  296   1HB   GLU  36          HB2       GLU  36   5.712  -2.059  -7.797
  297   2HB   GLU  36          HB3       GLU  36   5.331  -2.197  -9.506
  298   1HG   GLU  36          HG2       GLU  36   5.528  -4.502  -7.521
  299   2HG   GLU  36          HG3       GLU  36   4.051  -3.799  -8.158
  300    H    LYS  37           H        LYS  37   8.090  -0.959  -7.431
  301    HA   LYS  37           HA       LYS  37   8.754   1.004  -9.619
  302   1HB   LYS  37          HB2       LYS  37   7.888   1.347  -6.742
  303   2HB   LYS  37          HB3       LYS  37   8.729   2.614  -7.640
  304   1HG   LYS  37          HG2       LYS  37   6.397   3.060  -7.733
  305   2HG   LYS  37          HG3       LYS  37   7.007   2.685  -9.346
  306   1HD   LYS  37          HD2       LYS  37   5.982   0.442  -9.236
  307   2HD   LYS  37          HD3       LYS  37   5.512   0.724  -7.551
  308   1HE   LYS  37          HE2       LYS  37   3.586   1.025  -8.936
  309   2HE   LYS  37          HE3       LYS  37   4.058   2.602  -8.303
  310   1HZ   LYS  37          HZ1       LYS  37   4.785   1.644 -11.027
  311   2HZ   LYS  37          HZ2       LYS  37   3.502   2.603 -10.712
  312   3HZ   LYS  37          HZ3       LYS  37   4.987   3.168 -10.444
  313    H    GLY  38           H        GLY  38  10.270  -0.884  -7.153
  314   1HA   GLY  38          HA2       GLY  38  12.581  -1.378  -7.346
  315   2HA   GLY  38          HA3       GLY  38  12.924   0.257  -7.889
  316    H    LYS  39           H        LYS  39  13.981  -1.447  -5.659
  317    HA   LYS  39           HA       LYS  39  13.688  -0.380  -3.103
  318   1HB   LYS  39          HB2       LYS  39  15.090  -2.292  -3.816
  319   2HB   LYS  39          HB3       LYS  39  16.129  -1.209  -4.743
  320   1HG   LYS  39          HG2       LYS  39  17.272  -1.805  -2.764
  321   2HG   LYS  39          HG3       LYS  39  16.831  -0.103  -2.614
  322   1HD   LYS  39          HD2       LYS  39  14.877  -0.773  -1.175
  323   2HD   LYS  39          HD3       LYS  39  15.380  -2.477  -1.344
  324   1HE   LYS  39          HE2       LYS  39  17.641  -1.794  -0.465
  325   2HE   LYS  39          HE3       LYS  39  16.979  -0.182  -0.156
  326   1HZ   LYS  39          HZ1       LYS  39  16.003  -2.720   1.067
  327   2HZ   LYS  39          HZ2       LYS  39  16.871  -1.578   1.846
  328   3HZ   LYS  39          HZ3       LYS  39  15.346  -1.253   1.347
  329    H    ASP  40           H        ASP  40  15.317   1.039  -5.874
  330    HA   ASP  40           HA       ASP  40  16.517   3.288  -4.562
  331   1HB   ASP  40          HB2       ASP  40  15.730   2.836  -7.469
  332   2HB   ASP  40          HB3       ASP  40  16.756   4.149  -6.899
  333    H    ALA  41           H        ALA  41  13.182   2.784  -5.215
  334    HA   ALA  41           HA       ALA  41  12.615   5.731  -5.145
  335   1HB   ALA  41          HB1       ALA  41  10.785   5.291  -6.713
  336   2HB   ALA  41          HB2       ALA  41  12.337   4.772  -7.401
  337   3HB   ALA  41          HB3       ALA  41  11.204   3.565  -6.749
  338    H    PHE  42           H        PHE  42  11.472   2.504  -4.123
  339    HA   PHE  42           HA       PHE  42   9.913   3.797  -1.938
  340   1HB   PHE  42          HB2       PHE  42   8.831   1.781  -3.925
  341   2HB   PHE  42          HB3       PHE  42   8.116   2.060  -2.344
  342    HD1  PHE  42           HD1      PHE  42   8.588   3.507  -5.688
  343    HD2  PHE  42           HD2      PHE  42   6.968   4.119  -1.745
  344    HE1  PHE  42           HE1      PHE  42   7.253   5.429  -6.537
  345    HE2  PHE  42           HE2      PHE  42   5.652   6.053  -2.586
  346    HZ   PHE  42           HZ       PHE  42   5.798   6.710  -4.979
  347    HA   PRO  43           HA       PRO  43  12.690   0.272  -0.601
  348   1HB   PRO  43          HB2       PRO  43  14.007   1.543   1.437
  349   2HB   PRO  43          HB3       PRO  43  14.541   1.572  -0.268
  350   1HG   PRO  43          HG2       PRO  43  12.893   3.628   1.208
  351   2HG   PRO  43          HG3       PRO  43  14.328   3.900   0.161
  352   1HD   PRO  43          HD2       PRO  43  11.791   4.234  -0.756
  353   2HD   PRO  43          HD3       PRO  43  13.067   3.540  -1.800
  354    H    VAL  44           H        VAL  44  11.835  -1.179   0.840
  355    HA   VAL  44           HA       VAL  44   9.573  -0.698   2.483
  356    HB   VAL  44           HB       VAL  44  11.690  -2.863   2.609
  357   1HG1  VAL  44          HG11      VAL  44   8.966  -2.891   3.999
  358   2HG1  VAL  44          HG12      VAL  44  10.093  -4.247   3.864
  359   3HG1  VAL  44          HG13      VAL  44  10.545  -2.839   4.818
  360   1HG2  VAL  44          HG21      VAL  44   9.997  -4.177   1.431
  361   2HG2  VAL  44          HG22      VAL  44   8.826  -2.834   1.552
  362   3HG2  VAL  44          HG23      VAL  44  10.262  -2.683   0.538
  363    H    ALA  45           H        ALA  45  12.968  -0.256   3.293
  364    HA   ALA  45           HA       ALA  45  12.679   0.144   6.110
  365   1HB   ALA  45          HB1       ALA  45  14.952   1.080   5.898
  366   2HB   ALA  45          HB2       ALA  45  14.796  -0.406   4.944
  367   3HB   ALA  45          HB3       ALA  45  14.758   1.183   4.135
  368    H    GLY  46           H        GLY  46  11.621   2.228   3.561
  369   1HA   GLY  46          HA2       GLY  46  11.432   4.564   5.428
  370   2HA   GLY  46          HA3       GLY  46  12.252   4.727   3.879
  371    H    GLN  47           H        GLN  47   9.808   2.735   2.961
  372    HA   GLN  47           HA       GLN  47   8.069   4.975   2.222
  373   1HB   GLN  47          HB2       GLN  47   6.853   3.522   0.848
  374   2HB   GLN  47          HB3       GLN  47   8.563   3.196   0.586
  375   1HG   GLN  47          HG2       GLN  47   8.432   1.113   1.808
  376   2HG   GLN  47          HG3       GLN  47   6.821   1.498   2.415
  377   1HE2  GLN  47          HE21      GLN  47   8.557   0.174  -0.395
  378   2HE2  GLN  47          HE22      GLN  47   7.050  -0.333  -1.135
  379    H    LYS  48           H        LYS  48   5.930   5.236   2.645
  380    HA   LYS  48           HA       LYS  48   4.652   3.944   5.013
  381   1HB   LYS  48          HB2       LYS  48   4.816   6.940   4.485
  382   2HB   LYS  48          HB3       LYS  48   4.081   6.137   5.878
  383   1HG   LYS  48          HG2       LYS  48   6.390   5.224   6.439
  384   2HG   LYS  48          HG3       LYS  48   7.047   6.285   5.179
  385   1HD   LYS  48          HD2       LYS  48   5.434   7.217   7.579
  386   2HD   LYS  48          HD3       LYS  48   7.203   7.206   7.490
  387   1HE   LYS  48          HE2       LYS  48   7.158   8.775   5.591
  388   2HE   LYS  48          HE3       LYS  48   5.392   8.774   5.600
  389   1HZ   LYS  48          HZ1       LYS  48   7.088   9.741   7.844
  390   2HZ   LYS  48          HZ2       LYS  48   6.277  10.696   6.798
  391   3HZ   LYS  48          HZ3       LYS  48   5.457   9.742   7.835
  392    H    LEU  49           H        LEU  49   2.362   4.366   5.101
  393    HA   LEU  49           HA       LEU  49   1.032   4.876   2.483
  394   1HB   LEU  49          HB2       LEU  49   0.656   2.587   4.452
  395   2HB   LEU  49          HB3       LEU  49  -0.588   3.074   3.310
  396    HG   LEU  49           HG       LEU  49   1.007   2.662   1.436
  397   1HD1  LEU  49          HD11      LEU  49   2.768   0.900   1.886
  398   2HD1  LEU  49          HD12      LEU  49   3.191   2.484   2.497
  399   3HD1  LEU  49          HD13      LEU  49   2.593   1.239   3.623
  400   1HD2  LEU  49          HD21      LEU  49   0.227   0.319   3.217
  401   2HD2  LEU  49          HD22      LEU  49  -0.832   1.137   2.050
  402   3HD2  LEU  49          HD23      LEU  49   0.568   0.228   1.474
  403    H    ILE  50           H        ILE  50  -0.969   5.840   2.525
  404    HA   ILE  50           HA       ILE  50  -2.436   6.189   5.099
  405    HB   ILE  50           HB       ILE  50  -1.741   8.387   3.123
  406   1HG1  ILE  50          HG12      ILE  50  -0.278   8.146   5.117
  407   2HG1  ILE  50          HG13      ILE  50  -1.108   9.688   5.034
  408   1HG2  ILE  50          HG21      ILE  50  -4.102   8.346   5.035
  409   2HG2  ILE  50          HG22      ILE  50  -3.408   9.844   4.369
  410   3HG2  ILE  50          HG23      ILE  50  -4.112   8.657   3.277
  411   1HD1  ILE  50          HD11      ILE  50  -1.822   7.360   6.860
  412   2HD1  ILE  50          HD12      ILE  50  -1.105   8.912   7.322
  413   3HD1  ILE  50          HD13      ILE  50  -2.781   8.846   6.744
  414    H    TYR  51           H        TYR  51  -4.545   5.782   4.965
  415    HA   TYR  51           HA       TYR  51  -5.816   5.510   2.263
  416   1HB   TYR  51          HB2       TYR  51  -5.598   3.342   3.326
  417   2HB   TYR  51          HB3       TYR  51  -6.373   3.934   4.788
  418    HD1  TYR  51           HD1      TYR  51  -8.500   2.960   5.018
  419    HD2  TYR  51           HD2      TYR  51  -7.171   4.143   1.087
  420    HE1  TYR  51           HE1      TYR  51 -10.668   2.213   4.062
  421    HE2  TYR  51           HE2      TYR  51  -9.349   3.434   0.136
  422    HH   TYR  51           HH       TYR  51 -11.953   2.040   2.174
  423    H    ALA  52           H        ALA  52  -6.294   7.669   2.201
  424    HA   ALA  52           HA       ALA  52  -7.482   9.567   2.442
  425   1HB   ALA  52          HB1       ALA  52  -9.696   7.590   3.099
  426   2HB   ALA  52          HB2       ALA  52  -9.895   9.216   2.411
  427   3HB   ALA  52          HB3       ALA  52  -9.079   7.955   1.472
  428    H    GLY  53           H        GLY  53  -6.143   8.799   4.963
  429   1HA   GLY  53          HA2       GLY  53  -6.133  10.581   6.739
  430   2HA   GLY  53          HA3       GLY  53  -7.843  10.229   6.989
  431    H    LYS  54           H        LYS  54  -6.616   7.249   6.400
  432    HA   LYS  54           HA       LYS  54  -6.195   6.608   9.298
  433   1HB   LYS  54          HB2       LYS  54  -6.984   4.883   6.892
  434   2HB   LYS  54          HB3       LYS  54  -6.514   4.234   8.452
  435   1HG   LYS  54          HG2       LYS  54  -8.816   4.162   8.485
  436   2HG   LYS  54          HG3       LYS  54  -8.401   5.535   9.515
  437   1HD   LYS  54          HD2       LYS  54  -9.032   7.094   7.687
  438   2HD   LYS  54          HD3       LYS  54  -9.349   5.709   6.615
  439   1HE   LYS  54          HE2       LYS  54 -11.105   4.917   8.178
  440   2HE   LYS  54          HE3       LYS  54 -10.784   6.293   9.243
  441   1HZ   LYS  54          HZ1       LYS  54 -11.759   6.500   6.441
  442   2HZ   LYS  54          HZ2       LYS  54 -12.671   6.725   7.775
  443   3HZ   LYS  54          HZ3       LYS  54 -11.469   7.771   7.428
  444    H    ILE  55           H        ILE  55  -4.420   5.511   9.962
  445    HA   ILE  55           HA       ILE  55  -2.059   5.550   8.137
  446    HB   ILE  55           HB       ILE  55  -2.176   5.498  11.183
  447   1HG1  ILE  55          HG12      ILE  55  -1.376   7.830   9.389
  448   2HG1  ILE  55          HG13      ILE  55  -2.977   7.675  10.107
  449   1HG2  ILE  55          HG21      ILE  55   0.266   5.939  11.043
  450   2HG2  ILE  55          HG22      ILE  55  -0.129   4.427  10.246
  451   3HG2  ILE  55          HG23      ILE  55   0.183   5.878   9.270
  452   1HD1  ILE  55          HD11      ILE  55  -1.960   7.670  12.378
  453   2HD1  ILE  55          HD12      ILE  55  -0.376   8.010  11.634
  454   3HD1  ILE  55          HD13      ILE  55  -1.703   9.167  11.462
  455    H    LEU  56           H        LEU  56  -1.745   3.634   7.225
  456    HA   LEU  56           HA       LEU  56  -2.751   1.125   8.265
  457   1HB   LEU  56          HB2       LEU  56  -0.788   1.681   6.002
  458   2HB   LEU  56          HB3       LEU  56  -1.602   0.171   6.316
  459    HG   LEU  56           HG       LEU  56  -2.638   1.121   4.462
  460   1HD1  LEU  56          HD11      LEU  56  -4.198   0.044   6.012
  461   2HD1  LEU  56          HD12      LEU  56  -4.491   1.597   6.832
  462   3HD1  LEU  56          HD13      LEU  56  -4.983   1.381   5.148
  463   1HD2  LEU  56          HD21      LEU  56  -3.553   3.606   5.899
  464   2HD2  LEU  56          HD22      LEU  56  -1.984   3.551   5.071
  465   3HD2  LEU  56          HD23      LEU  56  -3.468   3.239   4.165
  466    H    ASN  57           H        ASN  57  -1.561  -0.701   8.976
  467    HA   ASN  57           HA       ASN  57   1.160  -0.135  10.098
  468   1HB   ASN  57          HB2       ASN  57  -0.711   0.061  11.751
  469   2HB   ASN  57          HB3       ASN  57  -1.178  -1.595  11.362
  470   1HD2  ASN  57          HD21      ASN  57  -0.629  -2.816  13.134
  471   2HD2  ASN  57          HD22      ASN  57   0.943  -2.735  13.933
  472    H    ASP  58           H        ASP  58   2.681  -1.544   9.623
  473    HA   ASP  58           HA       ASP  58   2.466  -3.711   7.892
  474   1HB   ASP  58          HB2       ASP  58   4.576  -3.088   9.987
  475   2HB   ASP  58          HB3       ASP  58   4.771  -4.282   8.711
  476    H    ASP  59           H        ASP  59   1.885  -3.817  11.342
  477    HA   ASP  59           HA       ASP  59   2.042  -6.787  11.395
  478   1HB   ASP  59          HB2       ASP  59   3.341  -5.339  13.003
  479   2HB   ASP  59          HB3       ASP  59   1.807  -4.821  13.696
  480    H    THR  60           H        THR  60  -0.323  -4.811  10.487
  481    HA   THR  60           HA       THR  60  -2.525  -6.216  11.972
  482    HB   THR  60           HB       THR  60  -2.440  -3.396  10.851
  483    HG1  THR  60           HG1      THR  60  -2.635  -4.310  13.533
  484   1HG2  THR  60          HG21      THR  60  -4.626  -4.840  12.408
  485   2HG2  THR  60          HG22      THR  60  -4.579  -3.090  12.084
  486   3HG2  THR  60          HG23      THR  60  -4.726  -4.225  10.740
  487    H    ALA  61           H        ALA  61  -4.088  -7.181  10.825
  488    HA   ALA  61           HA       ALA  61  -3.709  -7.857   8.093
  489   1HB   ALA  61          HB1       ALA  61  -5.852  -9.014   8.354
  490   2HB   ALA  61          HB2       ALA  61  -4.780  -9.315   9.731
  491   3HB   ALA  61          HB3       ALA  61  -6.133  -8.169   9.895
  492    H    LEU  62           H        LEU  62  -4.589  -7.120   6.175
  493    HA   LEU  62           HA       LEU  62  -5.246  -4.512   5.790
  494   1HB   LEU  62          HB2       LEU  62  -5.492  -7.100   4.319
  495   2HB   LEU  62          HB3       LEU  62  -6.562  -5.862   3.722
  496    HG   LEU  62           HG       LEU  62  -4.416  -6.044   2.566
  497   1HD1  LEU  62          HD11      LEU  62  -4.049  -3.618   2.371
  498   2HD1  LEU  62          HD12      LEU  62  -5.775  -3.935   2.554
  499   3HD1  LEU  62          HD13      LEU  62  -4.829  -3.337   3.934
  500   1HD2  LEU  62          HD21      LEU  62  -3.140  -4.867   5.054
  501   2HD2  LEU  62          HD22      LEU  62  -2.853  -6.476   4.349
  502   3HD2  LEU  62          HD23      LEU  62  -2.388  -5.035   3.449
  503    H    LYS  63           H        LYS  63  -7.775  -7.062   6.037
  504    HA   LYS  63           HA       LYS  63  -9.925  -5.300   5.639
  505   1HB   LYS  63          HB2       LYS  63 -11.360  -7.031   6.108
  506   2HB   LYS  63          HB3       LYS  63  -9.938  -7.791   5.444
  507   1HG   LYS  63          HG2       LYS  63 -10.988  -7.846   8.276
  508   2HG   LYS  63          HG3       LYS  63 -10.684  -9.189   7.168
  509   1HD   LYS  63          HD2       LYS  63  -8.203  -8.681   7.397
  510   2HD   LYS  63          HD3       LYS  63  -8.611  -7.569   8.702
  511   1HE   LYS  63          HE2       LYS  63  -9.169 -10.569   8.605
  512   2HE   LYS  63          HE3       LYS  63  -7.943  -9.762   9.584
  513   1HZ   LYS  63          HZ1       LYS  63  -9.792  -8.603  10.756
  514   2HZ   LYS  63          HZ2       LYS  63 -10.880  -9.482   9.907
  515   3HZ   LYS  63          HZ3       LYS  63  -9.860 -10.230  10.933
  516    H    GLU  64           H        GLU  64  -8.058  -5.355   8.516
  517    HA   GLU  64           HA       GLU  64 -10.099  -4.307  10.322
  518   1HB   GLU  64          HB2       GLU  64  -7.080  -3.909  10.342
  519   2HB   GLU  64          HB3       GLU  64  -8.179  -3.523  11.656
  520   1HG   GLU  64          HG2       GLU  64  -7.569  -6.310  10.589
  521   2HG   GLU  64          HG3       GLU  64  -6.995  -5.616  12.096
  522    H    TYR  65           H        TYR  65  -8.186  -2.976   7.726
  523    HA   TYR  65           HA       TYR  65  -8.915  -0.168   8.387
  524   1HB   TYR  65          HB2       TYR  65  -7.130  -1.355   6.225
  525   2HB   TYR  65          HB3       TYR  65  -7.406   0.360   6.476
  526    HD1  TYR  65           HD1      TYR  65  -6.946   1.316   8.863
  527    HD2  TYR  65           HD2      TYR  65  -5.283  -2.397   7.400
  528    HE1  TYR  65           HE1      TYR  65  -5.213   1.384  10.634
  529    HE2  TYR  65           HE2      TYR  65  -3.550  -2.315   9.130
  530    HH   TYR  65           HH       TYR  65  -3.468   0.341  11.584
  531    H    LYS  66           H        LYS  66 -10.422  -2.658   6.870
  532    HA   LYS  66           HA       LYS  66 -11.909  -2.986   5.153
  533   1HB   LYS  66          HB2       LYS  66 -12.938  -0.371   6.312
  534   2HB   LYS  66          HB3       LYS  66 -13.879  -1.510   5.337
  535   1HG   LYS  66          HG2       LYS  66 -13.459  -3.292   7.042
  536   2HG   LYS  66          HG3       LYS  66 -12.672  -2.093   8.077
  537   1HD   LYS  66          HD2       LYS  66 -15.565  -1.984   7.117
  538   2HD   LYS  66          HD3       LYS  66 -15.024  -2.532   8.710
  539   1HE   LYS  66          HE2       LYS  66 -14.038  -0.285   9.147
  540   2HE   LYS  66          HE3       LYS  66 -14.624   0.273   7.574
  541   1HZ   LYS  66          HZ1       LYS  66 -16.162   0.878   9.350
  542   2HZ   LYS  66          HZ2       LYS  66 -16.897  -0.169   8.337
  543   3HZ   LYS  66          HZ3       LYS  66 -16.357  -0.680   9.792
  544    H    ILE  67           H        ILE  67  -9.626  -2.086   3.979
  545    HA   ILE  67           HA       ILE  67  -9.998   0.177   2.262
  546    HB   ILE  67           HB       ILE  67  -8.130  -2.155   1.776
  547   1HG1  ILE  67          HG12      ILE  67  -7.870   0.321   3.518
  548   2HG1  ILE  67          HG13      ILE  67  -7.632  -1.375   3.952
  549   1HG2  ILE  67          HG21      ILE  67  -8.516  -0.640  -0.198
  550   2HG2  ILE  67          HG22      ILE  67  -8.070   0.757   0.811
  551   3HG2  ILE  67          HG23      ILE  67  -6.886  -0.497   0.420
  552   1HD1  ILE  67          HD11      ILE  67  -5.469  -0.465   3.837
  553   2HD1  ILE  67          HD12      ILE  67  -5.651  -1.362   2.318
  554   3HD1  ILE  67          HD13      ILE  67  -5.820   0.411   2.332
  555    H    ASP  68           H        ASP  68 -10.874   0.390   0.303
  556    HA   ASP  68           HA       ASP  68 -12.678  -1.823  -0.561
  557   1HB   ASP  68          HB2       ASP  68 -13.777   0.116   0.338
  558   2HB   ASP  68          HB3       ASP  68 -12.866   1.187  -0.724
  559    H    GLU  69           H        GLU  69 -12.950  -2.435  -2.620
  560    HA   GLU  69           HA       GLU  69 -10.625  -2.431  -4.239
  561   1HB   GLU  69          HB2       GLU  69 -12.276  -4.268  -3.750
  562   2HB   GLU  69          HB3       GLU  69 -13.397  -3.515  -4.887
  563   1HG   GLU  69          HG2       GLU  69 -12.001  -4.033  -6.741
  564   2HG   GLU  69          HG3       GLU  69 -10.578  -4.240  -5.715
  565    H    LYS  70           H        LYS  70 -12.970  -0.043  -4.214
  566    HA   LYS  70           HA       LYS  70 -11.951   0.986  -6.790
  567   1HB   LYS  70          HB2       LYS  70 -14.100   1.885  -7.468
  568   2HB   LYS  70          HB3       LYS  70 -14.050   0.141  -7.478
  569   1HG   LYS  70          HG2       LYS  70 -15.232   1.624  -5.108
  570   2HG   LYS  70          HG3       LYS  70 -16.155   1.402  -6.597
  571   1HD   LYS  70          HD2       LYS  70 -15.814  -1.055  -6.464
  572   2HD   LYS  70          HD3       LYS  70 -15.012  -0.866  -4.910
  573   1HE   LYS  70          HE2       LYS  70 -17.877  -0.022  -5.540
  574   2HE   LYS  70          HE3       LYS  70 -17.413  -1.519  -4.723
  575   1HZ   LYS  70          HZ1       LYS  70 -18.021   0.185  -3.114
  576   2HZ   LYS  70          HZ2       LYS  70 -16.432  -0.179  -2.936
  577   3HZ   LYS  70          HZ3       LYS  70 -16.866   1.202  -3.677
  578    H    ASN  71           H        ASN  71 -11.633   1.451  -3.769
  579    HA   ASN  71           HA       ASN  71 -11.463   4.444  -3.978
  580   1HB   ASN  71          HB2       ASN  71 -11.262   2.576  -1.576
  581   2HB   ASN  71          HB3       ASN  71 -10.836   4.279  -1.527
  582   1HD2  ASN  71          HD21      ASN  71 -12.637   3.444   0.252
  583   2HD2  ASN  71          HD22      ASN  71 -14.214   4.111  -0.175
  584    H    PHE  72           H        PHE  72  -9.271   5.134  -2.794
  585    HA   PHE  72           HA       PHE  72  -7.061   3.318  -3.517
  586   1HB   PHE  72          HB2       PHE  72  -5.810   5.129  -4.620
  587   2HB   PHE  72          HB3       PHE  72  -7.264   4.668  -5.472
  588    HD1  PHE  72           HD1      PHE  72  -8.682   6.325  -6.284
  589    HD2  PHE  72           HD2      PHE  72  -6.007   7.270  -3.029
  590    HE1  PHE  72           HE1      PHE  72  -9.305   8.713  -6.460
  591    HE2  PHE  72           HE2      PHE  72  -6.684   9.648  -3.169
  592    HZ   PHE  72           HZ       PHE  72  -8.334  10.382  -4.883
  593    H    VAL  73           H        VAL  73  -5.016   3.861  -2.689
  594    HA   VAL  73           HA       VAL  73  -4.962   5.474  -0.192
  595    HB   VAL  73           HB       VAL  73  -4.738   3.701   1.020
  596   1HG1  VAL  73          HG11      VAL  73  -4.427   1.908  -1.383
  597   2HG1  VAL  73          HG12      VAL  73  -4.652   1.366   0.292
  598   3HG1  VAL  73          HG13      VAL  73  -5.937   2.269  -0.504
  599   1HG2  VAL  73          HG21      VAL  73  -2.305   4.028   0.922
  600   2HG2  VAL  73          HG22      VAL  73  -2.716   2.331   1.105
  601   3HG2  VAL  73          HG23      VAL  73  -2.210   2.939  -0.483
  602    H    VAL  74           H        VAL  74  -2.893   6.370   0.316
  603    HA   VAL  74           HA       VAL  74  -1.262   6.925  -2.127
  604    HB   VAL  74           HB       VAL  74  -1.421   8.475   0.484
  605   1HG1  VAL  74          HG11      VAL  74  -0.092   9.133  -2.188
  606   2HG1  VAL  74          HG12      VAL  74  -0.272  10.260  -0.826
  607   3HG1  VAL  74          HG13      VAL  74   0.739   8.828  -0.645
  608   1HG2  VAL  74          HG21      VAL  74  -2.646  10.173  -0.844
  609   2HG2  VAL  74          HG22      VAL  74  -2.666   9.073  -2.238
  610   3HG2  VAL  74          HG23      VAL  74  -3.549   8.662  -0.751
  611    H    VAL  75           H        VAL  75   0.809   6.286  -2.240
  612    HA   VAL  75           HA       VAL  75   2.262   5.329   0.192
  613    HB   VAL  75           HB       VAL  75   3.916   4.369  -1.464
  614   1HG1  VAL  75          HG11      VAL  75   2.590   2.298  -1.799
  615   2HG1  VAL  75          HG12      VAL  75   2.513   2.945  -0.162
  616   3HG1  VAL  75          HG13      VAL  75   1.132   3.172  -1.269
  617   1HG2  VAL  75          HG21      VAL  75   3.195   3.716  -3.664
  618   2HG2  VAL  75          HG22      VAL  75   1.606   4.468  -3.442
  619   3HG2  VAL  75          HG23      VAL  75   3.073   5.472  -3.552
  620    H    MET  76           H        MET  76   3.968   6.395   0.907
  621    HA   MET  76           HA       MET  76   5.309   8.484  -0.741
  622   1HB   MET  76          HB2       MET  76   5.101  10.125   1.075
  623   2HB   MET  76          HB3       MET  76   3.526   9.654   0.436
  624   1HG   MET  76          HG2       MET  76   3.246   8.075   2.356
  625   2HG   MET  76          HG3       MET  76   4.785   8.646   3.014
  626   1HE   MET  76          HE1       MET  76   3.283   8.983   5.319
  627   2HE   MET  76          HE2       MET  76   1.808   9.972   5.335
  628   3HE   MET  76          HE3       MET  76   1.863   8.470   4.384
  629    H    VAL  77           H        VAL  77   7.417   9.250   0.345
  630    HA   VAL  77           HA       VAL  77   8.599   7.109   2.045
  631    HB   VAL  77           HB       VAL  77  10.665   7.364   0.805
  632   1HG1  VAL  77          HG11      VAL  77   8.387   6.600  -1.051
  633   2HG1  VAL  77          HG12      VAL  77  10.082   6.092  -1.164
  634   3HG1  VAL  77          HG13      VAL  77   9.098   5.558   0.203
  635   1HG2  VAL  77          HG21      VAL  77   9.136   9.041  -1.211
  636   2HG2  VAL  77          HG22      VAL  77  10.413   9.628  -0.114
  637   3HG2  VAL  77          HG23      VAL  77  10.798   8.447  -1.373
  638    H    THR  78           H        THR  78  10.365   7.663   3.322
  639    HA   THR  78           HA       THR  78  11.148  10.490   3.506
  640    HB   THR  78           HB       THR  78   9.374  10.268   5.178
  641    HG1  THR  78           HG1      THR  78  10.592  11.097   6.868
  642   1HG2  THR  78          HG21      THR  78   9.678   8.928   7.210
  643   2HG2  THR  78          HG22      THR  78   9.599   7.879   5.785
  644   3HG2  THR  78          HG23      THR  78  11.166   8.217   6.554
  645    H    LYS  79           H        LYS  79  13.148  10.845   4.584
  646    HA   LYS  79           HA       LYS  79  15.017   8.515   4.652
  647   1HB   LYS  79          HB2       LYS  79  15.029   9.503   2.425
  648   2HB   LYS  79          HB3       LYS  79  15.416  11.090   3.092
  649   1HG   LYS  79          HG2       LYS  79  17.581  10.235   3.929
  650   2HG   LYS  79          HG3       LYS  79  17.167   8.604   3.350
  651   1HD   LYS  79          HD2       LYS  79  17.077   9.450   1.024
  652   2HD   LYS  79          HD3       LYS  79  17.377  11.092   1.601
  653   1HE   LYS  79          HE2       LYS  79  19.445  10.263   0.730
  654   2HE   LYS  79          HE3       LYS  79  19.600  10.377   2.484
  655   1HZ   LYS  79          HZ1       LYS  79  20.491   8.282   1.618
  656   2HZ   LYS  79          HZ2       LYS  79  19.232   7.966   2.602
  657   3HZ   LYS  79          HZ3       LYS  79  19.050   7.869   0.979
  658    HA   PRO  80           HA       PRO  80  17.165  11.769   7.337
  659   1HB   PRO  80          HB2       PRO  80  15.989  14.090   8.156
  660   2HB   PRO  80          HB3       PRO  80  16.828  13.928   6.584
  661   1HG   PRO  80          HG2       PRO  80  13.853  13.702   7.135
  662   2HG   PRO  80          HG3       PRO  80  14.673  14.683   5.878
  663   1HD   PRO  80          HD2       PRO  80  13.620  12.245   5.355
  664   2HD   PRO  80          HD3       PRO  80  15.134  12.786   4.566
  665    H    LYS  81           H        LYS  81  17.185  12.123   9.656
  666    HA   LYS  81           HA       LYS  81  14.792  11.491  11.267
  667   1HB   LYS  81          HB2       LYS  81  15.790   9.279  10.591
  668   2HB   LYS  81          HB3       LYS  81  17.305   9.754  11.365
  669   1HG   LYS  81          HG2       LYS  81  16.116   9.897  13.558
  670   2HG   LYS  81          HG3       LYS  81  14.601   9.446  12.752
  671   1HD   LYS  81          HD2       LYS  81  15.590   7.257  12.120
  672   2HD   LYS  81          HD3       LYS  81  17.137   7.748  12.819
  673   1HE   LYS  81          HE2       LYS  81  16.091   6.314  14.407
  674   2HE   LYS  81          HE3       LYS  81  16.055   7.952  15.062
  675   1HZ   LYS  81          HZ1       LYS  81  13.923   6.803  15.337
  676   2HZ   LYS  81          HZ2       LYS  81  13.717   8.100  14.372
  677   3HZ   LYS  81          HZ3       LYS  81  13.765   6.597  13.728
  678    H    ALA  82           H        ALA  82  14.859  12.354  13.274
  679    HA   ALA  82           HA       ALA  82  16.993  14.163  14.077
  680   1HB   ALA  82          HB1       ALA  82  14.641  14.631  14.589
  681   2HB   ALA  82          HB2       ALA  82  14.526  13.137  15.549
  682   3HB   ALA  82          HB3       ALA  82  15.584  14.461  16.082
  683    H    VAL  83           H        VAL  83  18.905  13.270  14.585
  684    HA   VAL  83           HA       VAL  83  19.067  11.213  16.751
  685    HB   VAL  83           HB       VAL  83  20.765  11.200  14.218
  686   1HG1  VAL  83          HG11      VAL  83  22.017  10.360  16.168
  687   2HG1  VAL  83          HG12      VAL  83  20.667   9.279  16.591
  688   3HG1  VAL  83          HG13      VAL  83  21.596   9.027  15.098
  689   1HG2  VAL  83          HG21      VAL  83  18.545  10.350  13.666
  690   2HG2  VAL  83          HG22      VAL  83  19.677   9.005  13.749
  691   3HG2  VAL  83          HG23      VAL  83  18.553   9.292  15.097
  692    H    SER  84           H        SER  84  20.535  11.646  18.278
  693    HA   SER  84           HA       SER  84  22.599  13.773  17.890
  694   1HB   SER  84          HB2       SER  84  20.764  13.458  20.301
  695   2HB   SER  84          HB3       SER  84  22.158  14.545  20.199
  696    HG   SER  84           HG       SER  84  19.804  14.622  18.590
  697    H    THR  85           H        THR  85  24.467  13.556  19.123
  698    HA   THR  85           HA       THR  85  24.929  11.080  20.719
  699    HB   THR  85           HB       THR  85  26.797  12.020  18.506
  700    HG1  THR  85           HG1      THR  85  24.959  11.002  17.687
  701   1HG2  THR  85          HG21      THR  85  26.867   9.579  20.342
  702   2HG2  THR  85          HG22      THR  85  27.947   9.857  18.957
  703   3HG2  THR  85          HG23      THR  85  28.014  10.938  20.354
  Start of MODEL    8
    1   1H    GLY   1           H1       GLY   1  -7.449 -18.263   2.354
    2   2H    GLY   1           H2       GLY   1  -6.569 -16.911   2.655
    3   3H    GLY   1           H3       GLY   1  -5.826 -18.268   2.099
    4   1HA   GLY   1          HA2       GLY   1  -6.024 -16.665   0.327
    5   2HA   GLY   1          HA3       GLY   1  -7.004 -18.108  -0.003
    6    H    SER   2           H        SER   2  -7.013 -14.782   0.112
    7    HA   SER   2           HA       SER   2  -9.986 -14.554   0.046
    8   1HB   SER   2          HB2       SER   2  -9.831 -12.667   1.719
    9   2HB   SER   2          HB3       SER   2  -9.516 -14.272   2.377
   10    HG   SER   2           HG       SER   2  -7.397 -13.874   2.520
   11    H    HIS   3           H        HIS   3  -7.216 -13.839  -1.506
   12    HA   HIS   3           HA       HIS   3  -6.774 -11.256  -1.699
   13   1HB   HIS   3          HB2       HIS   3  -5.982 -11.751  -4.145
   14   2HB   HIS   3          HB3       HIS   3  -5.199 -12.445  -2.741
   15    HD1  HIS   3           HD1      HIS   3  -5.440 -15.038  -2.324
   16    HD2  HIS   3           HD2      HIS   3  -7.396 -13.524  -5.732
   17    HE1  HIS   3           HE1      HIS   3  -6.067 -17.076  -3.763
   18    H    MET   4           H        MET   4  -7.103  -9.465  -2.541
   19    HA   MET   4           HA       MET   4  -9.186  -8.969  -4.560
   20   1HB   MET   4          HB2       MET   4 -10.362  -7.360  -3.299
   21   2HB   MET   4          HB3       MET   4 -10.232  -8.763  -2.241
   22   1HG   MET   4          HG2       MET   4  -8.290  -7.636  -1.090
   23   2HG   MET   4          HG3       MET   4  -8.541  -6.230  -2.129
   24   1HE   MET   4          HE1       MET   4  -9.814  -4.583   1.060
   25   2HE   MET   4          HE2       MET   4  -8.314  -5.444   0.641
   26   3HE   MET   4          HE3       MET   4  -9.040  -4.303  -0.515
   27    H    GLN   5           H        GLN   5  -9.008  -6.739  -5.432
   28    HA   GLN   5           HA       GLN   5  -6.183  -5.839  -5.435
   29   1HB   GLN   5          HB2       GLN   5  -6.591  -4.814  -7.570
   30   2HB   GLN   5          HB3       GLN   5  -7.000  -6.531  -7.608
   31   1HG   GLN   5          HG2       GLN   5  -9.377  -6.009  -7.408
   32   2HG   GLN   5          HG3       GLN   5  -9.024  -4.282  -7.277
   33   1HE2  GLN   5          HE21      GLN   5 -10.028  -6.606  -9.492
   34   2HE2  GLN   5          HE22      GLN   5  -9.499  -5.782 -10.951
   35    H    VAL   6           H        VAL   6  -5.606  -3.674  -5.394
   36    HA   VAL   6           HA       VAL   6  -7.533  -1.693  -4.291
   37    HB   VAL   6           HB       VAL   6  -4.783  -2.251  -3.094
   38   1HG1  VAL   6          HG11      VAL   6  -5.505   0.114  -2.853
   39   2HG1  VAL   6          HG12      VAL   6  -7.049  -0.425  -2.166
   40   3HG1  VAL   6          HG13      VAL   6  -5.518  -0.714  -1.309
   41   1HG2  VAL   6          HG21      VAL   6  -6.014  -3.001  -1.053
   42   2HG2  VAL   6          HG22      VAL   6  -7.537  -2.922  -1.963
   43   3HG2  VAL   6          HG23      VAL   6  -6.270  -4.084  -2.415
   44    H    THR   7           H        THR   7  -6.953   0.431  -4.748
   45    HA   THR   7           HA       THR   7  -5.128   0.818  -7.089
   46    HB   THR   7           HB       THR   7  -7.377   2.565  -5.993
   47    HG1  THR   7           HG1      THR   7  -8.222   0.716  -6.833
   48   1HG2  THR   7          HG21      THR   7  -7.264   3.644  -8.235
   49   2HG2  THR   7          HG22      THR   7  -5.806   3.897  -7.272
   50   3HG2  THR   7          HG23      THR   7  -5.796   2.702  -8.596
   51    H    LEU   8           H        LEU   8  -3.249   1.914  -6.727
   52    HA   LEU   8           HA       LEU   8  -2.898   3.340  -4.110
   53   1HB   LEU   8          HB2       LEU   8  -0.744   1.973  -5.725
   54   2HB   LEU   8          HB3       LEU   8  -0.637   2.610  -4.089
   55    HG   LEU   8           HG       LEU   8  -1.969   0.076  -5.089
   56   1HD1  LEU   8          HD11      LEU   8  -0.443  -0.985  -3.510
   57   2HD1  LEU   8          HD12      LEU   8   0.457   0.092  -4.580
   58   3HD1  LEU   8          HD13      LEU   8   0.118   0.601  -2.921
   59   1HD2  LEU   8          HD21      LEU   8  -3.486   1.025  -3.361
   60   2HD2  LEU   8          HD22      LEU   8  -2.651  -0.402  -2.745
   61   3HD2  LEU   8          HD23      LEU   8  -2.114   1.225  -2.258
   62    H    LYS   9           H        LYS   9  -2.291   5.469  -4.259
   63    HA   LYS   9           HA       LYS   9  -1.016   6.396  -6.792
   64   1HB   LYS   9          HB2       LYS   9  -2.096   8.444  -6.756
   65   2HB   LYS   9          HB3       LYS   9  -3.356   7.248  -6.476
   66   1HG   LYS   9          HG2       LYS   9  -3.311   7.764  -4.047
   67   2HG   LYS   9          HG3       LYS   9  -2.067   9.007  -4.369
   68   1HD   LYS   9          HD2       LYS   9  -3.711  10.077  -6.014
   69   2HD   LYS   9          HD3       LYS   9  -4.919   8.926  -5.441
   70   1HE   LYS   9          HE2       LYS   9  -5.334  10.935  -4.272
   71   2HE   LYS   9          HE3       LYS   9  -4.592   9.845  -3.104
   72   1HZ   LYS   9          HZ1       LYS   9  -2.470  11.040  -3.482
   73   2HZ   LYS   9          HZ2       LYS   9  -3.191  12.030  -4.566
   74   3HZ   LYS   9          HZ3       LYS   9  -3.631  12.083  -3.001
   75    H    THR  10           H        THR  10   0.519   8.061  -6.719
   76    HA   THR  10           HA       THR  10   2.293   7.719  -4.358
   77    HB   THR  10           HB       THR  10   4.073   8.359  -5.906
   78    HG1  THR  10           HG1      THR  10   3.423   8.645  -8.137
   79   1HG2  THR  10          HG21      THR  10   3.999   6.545  -7.499
   80   2HG2  THR  10          HG22      THR  10   3.322   5.981  -5.964
   81   3HG2  THR  10          HG23      THR  10   2.240   6.381  -7.321
   82    H    LEU  11           H        LEU  11   3.849   9.492  -3.882
   83    HA   LEU  11           HA       LEU  11   2.777  12.171  -3.565
   84   1HB   LEU  11          HB2       LEU  11   5.609  11.039  -3.426
   85   2HB   LEU  11          HB3       LEU  11   5.181  12.683  -2.973
   86    HG   LEU  11           HG       LEU  11   4.152  10.182  -1.588
   87   1HD1  LEU  11          HD11      LEU  11   6.547  10.582  -1.204
   88   2HD1  LEU  11          HD12      LEU  11   6.208  12.266  -0.748
   89   3HD1  LEU  11          HD13      LEU  11   5.613  10.936   0.265
   90   1HD2  LEU  11          HD21      LEU  11   3.399  11.834   0.167
   91   2HD2  LEU  11          HD22      LEU  11   3.784  13.148  -0.961
   92   3HD2  LEU  11          HD23      LEU  11   2.507  11.971  -1.350
   93    H    GLN  12           H        GLN  12   3.465  10.706  -6.408
   94    HA   GLN  12           HA       GLN  12   4.656  13.090  -7.749
   95   1HB   GLN  12          HB2       GLN  12   5.181  10.135  -8.274
   96   2HB   GLN  12          HB3       GLN  12   5.840  11.482  -9.208
   97   1HG   GLN  12          HG2       GLN  12   7.091  12.288  -7.252
   98   2HG   GLN  12          HG3       GLN  12   6.383  11.029  -6.240
   99   1HE2  GLN  12          HE21      GLN  12   7.990   9.564  -5.761
  100   2HE2  GLN  12          HE22      GLN  12   9.091   8.903  -6.961
  101    H    GLN  13           H        GLN  13   1.847  12.352  -7.332
  102    HA   GLN  13           HA       GLN  13  -0.119  11.998  -8.354
  103   1HB   GLN  13          HB2       GLN  13  -0.670  13.644 -10.036
  104   2HB   GLN  13          HB3       GLN  13   0.167  14.312  -8.660
  105   1HG   GLN  13          HG2       GLN  13   1.591  13.685 -11.284
  106   2HG   GLN  13          HG3       GLN  13   0.751  15.199 -11.004
  107   1HE2  GLN  13          HE21      GLN  13   3.622  14.855 -11.543
  108   2HE2  GLN  13          HE22      GLN  13   4.423  15.568 -10.151
  109    H    GLN  14           H        GLN  14   1.010   9.726  -8.814
  110    HA   GLN  14           HA       GLN  14  -0.036   8.948 -11.477
  111   1HB   GLN  14          HB2       GLN  14   2.482   9.043 -11.531
  112   2HB   GLN  14          HB3       GLN  14   2.522   7.929 -10.153
  113   1HG   GLN  14          HG2       GLN  14   2.984   6.772 -12.241
  114   2HG   GLN  14          HG3       GLN  14   1.529   6.156 -11.476
  115   1HE2  GLN  14          HE21      GLN  14   2.818   7.755 -14.349
  116   2HE2  GLN  14          HE22      GLN  14   1.284   7.803 -15.208
  117    H    THR  15           H        THR  15  -0.975   6.827 -11.469
  118    HA   THR  15           HA       THR  15  -1.448   5.617  -8.790
  119    HB   THR  15           HB       THR  15  -3.712   6.049 -10.734
  120    HG1  THR  15           HG1      THR  15  -4.297   7.838  -9.552
  121   1HG2  THR  15          HG21      THR  15  -5.104   5.828  -8.700
  122   2HG2  THR  15          HG22      THR  15  -4.123   4.381  -9.008
  123   3HG2  THR  15          HG23      THR  15  -3.644   5.518  -7.741
  124    H    PHE  16           H        PHE  16  -1.812   3.439  -8.737
  125    HA   PHE  16           HA       PHE  16  -1.776   1.837 -11.234
  126   1HB   PHE  16          HB2       PHE  16   0.187   0.591 -10.483
  127   2HB   PHE  16          HB3       PHE  16   0.550   2.272 -10.772
  128    HD1  PHE  16           HD1      PHE  16   0.760   3.881  -8.724
  129    HD2  PHE  16           HD2      PHE  16   0.795  -0.437  -8.394
  130    HE1  PHE  16           HE1      PHE  16   1.783   4.040  -6.476
  131    HE2  PHE  16           HE2      PHE  16   1.969  -0.251  -6.238
  132    HZ   PHE  16           HZ       PHE  16   2.394   1.975  -5.227
  133    H    LYS  17           H        LYS  17  -1.807  -0.573 -10.647
  134    HA   LYS  17           HA       LYS  17  -3.941  -1.035  -8.579
  135   1HB   LYS  17          HB2       LYS  17  -3.606  -2.200 -11.381
  136   2HB   LYS  17          HB3       LYS  17  -4.850  -2.685 -10.239
  137   1HG   LYS  17          HG2       LYS  17  -4.596   0.145 -11.360
  138   2HG   LYS  17          HG3       LYS  17  -5.568  -1.137 -12.083
  139   1HD   LYS  17          HD2       LYS  17  -6.883  -1.336  -9.978
  140   2HD   LYS  17          HD3       LYS  17  -5.974   0.031  -9.298
  141   1HE   LYS  17          HE2       LYS  17  -6.761   1.506 -11.079
  142   2HE   LYS  17          HE3       LYS  17  -7.516   0.152 -11.930
  143   1HZ   LYS  17          HZ1       LYS  17  -9.130   1.452 -10.623
  144   2HZ   LYS  17          HZ2       LYS  17  -9.062  -0.092 -10.092
  145   3HZ   LYS  17          HZ3       LYS  17  -8.331   1.090  -9.236
  146    H    ILE  18           H        ILE  18  -3.458  -2.458  -7.109
  147    HA   ILE  18           HA       ILE  18  -1.426  -4.627  -7.557
  148    HB   ILE  18           HB       ILE  18  -1.917  -2.852  -5.121
  149   1HG1  ILE  18          HG12      ILE  18  -0.666  -1.579  -6.670
  150   2HG1  ILE  18          HG13      ILE  18   0.428  -2.132  -5.419
  151   1HG2  ILE  18          HG21      ILE  18  -1.342  -4.939  -4.184
  152   2HG2  ILE  18          HG22      ILE  18  -0.112  -5.266  -5.417
  153   3HG2  ILE  18          HG23      ILE  18   0.157  -4.015  -4.181
  154   1HD1  ILE  18          HD11      ILE  18   1.695  -2.408  -7.361
  155   2HD1  ILE  18          HD12      ILE  18   1.067  -4.042  -7.108
  156   3HD1  ILE  18          HD13      ILE  18   0.324  -2.985  -8.309
  157    H    ASP  19           H        ASP  19  -1.847  -6.605  -6.334
  158    HA   ASP  19           HA       ASP  19  -4.435  -6.764  -4.905
  159   1HB   ASP  19          HB2       ASP  19  -5.167  -8.705  -6.022
  160   2HB   ASP  19          HB3       ASP  19  -4.846  -7.484  -7.239
  161    H    ILE  20           H        ILE  20  -4.388  -7.967  -3.112
  162    HA   ILE  20           HA       ILE  20  -2.357 -10.012  -2.593
  163    HB   ILE  20           HB       ILE  20  -1.573  -9.210  -0.533
  164   1HG1  ILE  20          HG12      ILE  20  -3.377  -8.083   0.501
  165   2HG1  ILE  20          HG13      ILE  20  -1.990  -7.025   0.470
  166   1HG2  ILE  20          HG21      ILE  20  -0.154  -7.356  -1.084
  167   2HG2  ILE  20          HG22      ILE  20  -0.306  -8.429  -2.471
  168   3HG2  ILE  20          HG23      ILE  20  -1.193  -6.892  -2.445
  169   1HD1  ILE  20          HD11      ILE  20  -3.987  -5.750   0.044
  170   2HD1  ILE  20          HD12      ILE  20  -3.030  -5.768  -1.451
  171   3HD1  ILE  20          HD13      ILE  20  -4.468  -6.805  -1.283
  172    H    ASP  21           H        ASP  21  -2.880 -11.212  -0.538
  173    HA   ASP  21           HA       ASP  21  -5.719 -11.693  -0.111
  174   1HB   ASP  21          HB2       ASP  21  -3.248 -12.682   1.297
  175   2HB   ASP  21          HB3       ASP  21  -4.903 -13.160   1.692
  176    HA   PRO  22           HA       PRO  22  -5.841  -8.093   2.618
  177   1HB   PRO  22          HB2       PRO  22  -8.529  -7.945   3.137
  178   2HB   PRO  22          HB3       PRO  22  -7.785  -7.466   1.583
  179   1HG   PRO  22          HG2       PRO  22  -9.022 -10.150   2.287
  180   2HG   PRO  22          HG3       PRO  22  -9.393  -9.105   0.873
  181   1HD   PRO  22          HD2       PRO  22  -7.637 -11.130   0.648
  182   2HD   PRO  22          HD3       PRO  22  -7.297  -9.559  -0.124
  183    H    GLU  23           H        GLU  23  -6.551 -11.320   3.542
  184    HA   GLU  23           HA       GLU  23  -6.870 -10.857   6.393
  185   1HB   GLU  23          HB2       GLU  23  -6.561 -13.213   6.619
  186   2HB   GLU  23          HB3       GLU  23  -7.543 -12.937   5.182
  187   1HG   GLU  23          HG2       GLU  23  -5.309 -13.083   3.858
  188   2HG   GLU  23          HG3       GLU  23  -4.611 -13.736   5.334
  189    H    GLU  24           H        GLU  24  -4.129 -10.409   4.313
  190    HA   GLU  24           HA       GLU  24  -2.125 -11.056   6.414
  191   1HB   GLU  24          HB2       GLU  24  -1.841  -9.978   3.578
  192   2HB   GLU  24          HB3       GLU  24  -0.508 -10.337   4.657
  193   1HG   GLU  24          HG2       GLU  24  -2.519 -12.372   3.615
  194   2HG   GLU  24          HG3       GLU  24  -0.882 -12.135   3.016
  195    H    THR  25           H        THR  25  -0.390  -9.428   6.852
  196    HA   THR  25           HA       THR  25  -1.534  -6.829   7.655
  197    HB   THR  25           HB       THR  25   0.669  -6.408   8.642
  198    HG1  THR  25           HG1      THR  25   2.167  -8.120   8.645
  199   1HG2  THR  25          HG21      THR  25  -0.356  -9.175   9.402
  200   2HG2  THR  25          HG22      THR  25   0.614  -8.073  10.404
  201   3HG2  THR  25          HG23      THR  25  -1.046  -7.637   9.964
  202    H    VAL  26           H        VAL  26  -0.368  -4.834   7.212
  203    HA   VAL  26           HA       VAL  26  -0.171  -4.189   4.502
  204    HB   VAL  26           HB       VAL  26   1.186  -2.804   6.830
  205   1HG1  VAL  26          HG11      VAL  26   0.560  -1.749   4.038
  206   2HG1  VAL  26          HG12      VAL  26   1.018  -0.742   5.431
  207   3HG1  VAL  26          HG13      VAL  26   2.167  -1.910   4.784
  208   1HG2  VAL  26          HG21      VAL  26  -1.303  -3.068   7.006
  209   2HG2  VAL  26          HG22      VAL  26  -0.792  -1.399   6.833
  210   3HG2  VAL  26          HG23      VAL  26  -1.476  -2.257   5.434
  211    H    LYS  27           H        LYS  27   2.401  -5.628   6.426
  212    HA   LYS  27           HA       LYS  27   4.697  -5.257   4.856
  213   1HB   LYS  27          HB2       LYS  27   3.705  -7.821   6.165
  214   2HB   LYS  27          HB3       LYS  27   5.311  -7.581   5.478
  215   1HG   LYS  27          HG2       LYS  27   5.636  -5.642   7.087
  216   2HG   LYS  27          HG3       LYS  27   4.127  -6.147   7.873
  217   1HD   LYS  27          HD2       LYS  27   5.148  -8.451   8.202
  218   2HD   LYS  27          HD3       LYS  27   6.632  -7.840   7.470
  219   1HE   LYS  27          HE2       LYS  27   7.128  -7.676   9.718
  220   2HE   LYS  27          HE3       LYS  27   6.621  -6.033   9.322
  221   1HZ   LYS  27          HZ1       LYS  27   4.398  -6.620  10.238
  222   2HZ   LYS  27          HZ2       LYS  27   4.939  -8.113  10.628
  223   3HZ   LYS  27          HZ3       LYS  27   5.572  -6.804  11.367
  224    H    ALA  28           H        ALA  28   1.976  -7.498   4.183
  225    HA   ALA  28           HA       ALA  28   3.277  -8.838   2.036
  226   1HB   ALA  28          HB1       ALA  28   1.336  -9.715   3.351
  227   2HB   ALA  28          HB2       ALA  28   0.293  -8.476   2.606
  228   3HB   ALA  28          HB3       ALA  28   1.016  -9.745   1.598
  229    H    LEU  29           H        LEU  29   1.517  -5.779   2.010
  230    HA   LEU  29           HA       LEU  29   1.535  -5.752  -0.969
  231   1HB   LEU  29          HB2       LEU  29  -0.445  -4.818  -0.793
  232   2HB   LEU  29          HB3       LEU  29  -0.383  -5.008   0.938
  233    HG   LEU  29           HG       LEU  29   0.845  -2.739   0.973
  234   1HD1  LEU  29          HD11      LEU  29  -0.545  -2.589  -1.753
  235   2HD1  LEU  29          HD12      LEU  29   0.184  -1.214  -0.897
  236   3HD1  LEU  29          HD13      LEU  29   1.208  -2.513  -1.510
  237   1HD2  LEU  29          HD21      LEU  29  -2.087  -2.967   0.198
  238   2HD2  LEU  29          HD22      LEU  29  -1.399  -3.034   1.837
  239   3HD2  LEU  29          HD23      LEU  29  -1.337  -1.527   0.921
  240    H    LYS  30           H        LYS  30   2.850  -3.962   1.884
  241    HA   LYS  30           HA       LYS  30   4.177  -2.073   0.163
  242   1HB   LYS  30          HB2       LYS  30   5.010  -1.085   2.131
  243   2HB   LYS  30          HB3       LYS  30   3.455  -1.741   2.570
  244   1HG   LYS  30          HG2       LYS  30   4.559  -2.548   4.375
  245   2HG   LYS  30          HG3       LYS  30   5.012  -3.846   3.278
  246   1HD   LYS  30          HD2       LYS  30   7.051  -3.213   4.280
  247   2HD   LYS  30          HD3       LYS  30   7.082  -2.437   2.695
  248   1HE   LYS  30          HE2       LYS  30   7.779  -0.674   4.028
  249   2HE   LYS  30          HE3       LYS  30   6.040  -0.370   3.950
  250   1HZ   LYS  30          HZ1       LYS  30   5.903  -1.618   6.134
  251   2HZ   LYS  30          HZ2       LYS  30   7.533  -1.627   6.181
  252   3HZ   LYS  30          HZ3       LYS  30   6.734  -0.209   6.218
  253    H    GLU  31           H        GLU  31   5.217  -5.250   1.351
  254    HA   GLU  31           HA       GLU  31   7.945  -4.917   0.368
  255   1HB   GLU  31          HB2       GLU  31   6.295  -7.379   1.020
  256   2HB   GLU  31          HB3       GLU  31   7.978  -7.424   0.482
  257   1HG   GLU  31          HG2       GLU  31   8.722  -6.122   2.388
  258   2HG   GLU  31          HG3       GLU  31   7.072  -5.891   2.955
  259    H    LYS  32           H        LYS  32   4.858  -5.775  -1.268
  260    HA   LYS  32           HA       LYS  32   6.310  -6.922  -3.519
  261   1HB   LYS  32          HB2       LYS  32   4.338  -7.651  -4.301
  262   2HB   LYS  32          HB3       LYS  32   3.950  -7.517  -2.609
  263   1HG   LYS  32          HG2       LYS  32   2.067  -6.542  -3.479
  264   2HG   LYS  32          HG3       LYS  32   3.052  -5.102  -3.304
  265   1HD   LYS  32          HD2       LYS  32   2.115  -4.936  -5.433
  266   2HD   LYS  32          HD3       LYS  32   3.769  -5.415  -5.745
  267   1HE   LYS  32          HE2       LYS  32   3.042  -7.816  -5.922
  268   2HE   LYS  32          HE3       LYS  32   1.369  -7.311  -5.682
  269   1HZ   LYS  32          HZ1       LYS  32   1.929  -7.608  -8.035
  270   2HZ   LYS  32          HZ2       LYS  32   1.528  -6.052  -7.769
  271   3HZ   LYS  32          HZ3       LYS  32   3.098  -6.474  -7.974
  272    H    ILE  33           H        ILE  33   4.806  -3.702  -2.914
  273    HA   ILE  33           HA       ILE  33   5.223  -2.852  -5.600
  274    HB   ILE  33           HB       ILE  33   4.612  -0.714  -5.036
  275   1HG1  ILE  33          HG12      ILE  33   4.090  -0.274  -2.427
  276   2HG1  ILE  33          HG13      ILE  33   5.523  -1.281  -2.236
  277   1HG2  ILE  33          HG21      ILE  33   2.477  -1.052  -3.990
  278   2HG2  ILE  33          HG22      ILE  33   2.875  -2.446  -5.010
  279   3HG2  ILE  33          HG23      ILE  33   3.014  -2.556  -3.244
  280   1HD1  ILE  33          HD11      ILE  33   5.328   1.239  -3.974
  281   2HD1  ILE  33          HD12      ILE  33   6.005   1.188  -2.344
  282   3HD1  ILE  33          HD13      ILE  33   6.815   0.313  -3.653
  283    H    GLU  34           H        GLU  34   7.511  -3.077  -2.978
  284    HA   GLU  34           HA       GLU  34   9.595  -1.397  -4.013
  285   1HB   GLU  34          HB2       GLU  34   9.595  -2.509  -1.769
  286   2HB   GLU  34          HB3       GLU  34   9.858  -4.065  -2.573
  287   1HG   GLU  34          HG2       GLU  34  11.993  -3.162  -3.543
  288   2HG   GLU  34          HG3       GLU  34  11.702  -1.649  -2.690
  289    H    SER  35           H        SER  35   8.544  -4.716  -4.938
  290    HA   SER  35           HA       SER  35  10.673  -5.077  -6.893
  291   1HB   SER  35          HB2       SER  35   8.029  -6.547  -6.587
  292   2HB   SER  35          HB3       SER  35   9.400  -7.047  -7.588
  293    HG   SER  35           HG       SER  35   9.391  -8.102  -5.546
  294    H    GLU  36           H        GLU  36   7.683  -3.312  -6.967
  295    HA   GLU  36           HA       GLU  36   7.349  -3.480  -9.909
  296   1HB   GLU  36          HB2       GLU  36   5.951  -1.779  -7.819
  297   2HB   GLU  36          HB3       GLU  36   5.472  -1.916  -9.499
  298   1HG   GLU  36          HG2       GLU  36   5.414  -4.143  -7.424
  299   2HG   GLU  36          HG3       GLU  36   4.033  -3.220  -7.987
  300    H    LYS  37           H        LYS  37   8.603  -1.241  -7.490
  301    HA   LYS  37           HA       LYS  37   9.246   0.815  -9.594
  302   1HB   LYS  37          HB2       LYS  37   8.429   1.190  -6.691
  303   2HB   LYS  37          HB3       LYS  37   8.821   2.475  -7.851
  304   1HG   LYS  37          HG2       LYS  37   6.938   1.746  -9.295
  305   2HG   LYS  37          HG3       LYS  37   6.492   0.521  -8.090
  306   1HD   LYS  37          HD2       LYS  37   6.209   2.292  -6.387
  307   2HD   LYS  37          HD3       LYS  37   6.552   3.527  -7.612
  308   1HE   LYS  37          HE2       LYS  37   4.250   1.524  -7.690
  309   2HE   LYS  37          HE3       LYS  37   4.127   3.204  -7.165
  310   1HZ   LYS  37          HZ1       LYS  37   3.440   2.979  -9.460
  311   2HZ   LYS  37          HZ2       LYS  37   4.797   3.888  -9.414
  312   3HZ   LYS  37          HZ3       LYS  37   4.866   2.329  -9.907
  313    H    GLY  38           H        GLY  38  10.681  -1.177  -7.252
  314   1HA   GLY  38          HA2       GLY  38  12.982  -1.580  -7.156
  315   2HA   GLY  38          HA3       GLY  38  13.337   0.048  -7.723
  316    H    LYS  39           H        LYS  39  14.123  -1.670  -5.288
  317    HA   LYS  39           HA       LYS  39  13.501  -0.375  -2.851
  318   1HB   LYS  39          HB2       LYS  39  14.679  -2.522  -3.271
  319   2HB   LYS  39          HB3       LYS  39  16.079  -1.659  -3.885
  320   1HG   LYS  39          HG2       LYS  39  14.997  -1.309  -1.064
  321   2HG   LYS  39          HG3       LYS  39  16.125  -2.584  -1.537
  322   1HD   LYS  39          HD2       LYS  39  17.592  -0.563  -2.444
  323   2HD   LYS  39          HD3       LYS  39  16.612   0.375  -1.282
  324   1HE   LYS  39          HE2       LYS  39  17.189  -1.261   0.487
  325   2HE   LYS  39          HE3       LYS  39  18.177  -2.151  -0.681
  326   1HZ   LYS  39          HZ1       LYS  39  19.540  -0.645   0.669
  327   2HZ   LYS  39          HZ2       LYS  39  19.595  -0.174  -0.891
  328   3HZ   LYS  39          HZ3       LYS  39  18.682   0.653   0.184
  329    H    ASP  40           H        ASP  40  15.640   0.561  -5.433
  330    HA   ASP  40           HA       ASP  40  17.024   2.740  -4.276
  331   1HB   ASP  40          HB2       ASP  40  17.503   1.596  -6.447
  332   2HB   ASP  40          HB3       ASP  40  16.089   2.382  -7.146
  333    H    ALA  41           H        ALA  41  13.633   2.610  -5.068
  334    HA   ALA  41           HA       ALA  41  13.381   5.571  -4.667
  335   1HB   ALA  41          HB1       ALA  41  11.580   5.527  -6.344
  336   2HB   ALA  41          HB2       ALA  41  13.119   4.976  -7.035
  337   3HB   ALA  41          HB3       ALA  41  11.861   3.793  -6.614
  338    H    PHE  42           H        PHE  42  11.983   2.382  -3.992
  339    HA   PHE  42           HA       PHE  42  10.262   3.604  -1.876
  340   1HB   PHE  42          HB2       PHE  42   9.414   1.587  -3.985
  341   2HB   PHE  42          HB3       PHE  42   8.510   1.911  -2.513
  342    HD1  PHE  42           HD1      PHE  42   7.240   3.941  -2.170
  343    HD2  PHE  42           HD2      PHE  42   9.528   3.340  -5.778
  344    HE1  PHE  42           HE1      PHE  42   6.063   5.850  -3.235
  345    HE2  PHE  42           HE2      PHE  42   8.369   5.271  -6.830
  346    HZ   PHE  42           HZ       PHE  42   6.627   6.521  -5.566
  347    HA   PRO  43           HA       PRO  43  12.950  -0.003  -0.468
  348   1HB   PRO  43          HB2       PRO  43  14.179   1.194   1.675
  349   2HB   PRO  43          HB3       PRO  43  14.799   1.294   0.005
  350   1HG   PRO  43          HG2       PRO  43  13.114   3.324   1.491
  351   2HG   PRO  43          HG3       PRO  43  14.584   3.609   0.507
  352   1HD   PRO  43          HD2       PRO  43  12.065   3.973  -0.478
  353   2HD   PRO  43          HD3       PRO  43  13.394   3.373  -1.505
  354    H    VAL  44           H        VAL  44  12.073  -1.454   0.907
  355    HA   VAL  44           HA       VAL  44   9.711  -1.078   2.406
  356    HB   VAL  44           HB       VAL  44  11.900  -3.153   2.496
  357   1HG1  VAL  44          HG11      VAL  44  11.051  -3.253   4.769
  358   2HG1  VAL  44          HG12      VAL  44   9.374  -3.167   4.195
  359   3HG1  VAL  44          HG13      VAL  44  10.373  -4.597   3.850
  360   1HG2  VAL  44          HG21      VAL  44  10.244  -2.953   0.572
  361   2HG2  VAL  44          HG22      VAL  44  10.217  -4.512   1.408
  362   3HG2  VAL  44          HG23      VAL  44   8.953  -3.299   1.721
  363    H    ALA  45           H        ALA  45  13.019  -0.535   3.489
  364    HA   ALA  45           HA       ALA  45  12.443  -0.156   6.275
  365   1HB   ALA  45          HB1       ALA  45  14.739   0.743   6.311
  366   2HB   ALA  45          HB2       ALA  45  14.663  -0.740   5.342
  367   3HB   ALA  45          HB3       ALA  45  14.742   0.848   4.539
  368    H    GLY  46           H        GLY  46  11.583   1.899   3.665
  369   1HA   GLY  46          HA2       GLY  46  11.330   4.279   5.476
  370   2HA   GLY  46          HA3       GLY  46  12.157   4.396   3.928
  371    H    GLN  47           H        GLN  47   9.800   2.405   2.930
  372    HA   GLN  47           HA       GLN  47   8.040   4.606   2.152
  373   1HB   GLN  47          HB2       GLN  47   6.835   3.048   0.817
  374   2HB   GLN  47          HB3       GLN  47   8.562   2.875   0.531
  375   1HG   GLN  47          HG2       GLN  47   8.641   0.801   1.781
  376   2HG   GLN  47          HG3       GLN  47   7.010   1.042   2.403
  377   1HE2  GLN  47          HE21      GLN  47   8.854   0.002  -0.500
  378   2HE2  GLN  47          HE22      GLN  47   7.408  -0.724  -1.184
  379    H    LYS  48           H        LYS  48   5.861   4.811   2.513
  380    HA   LYS  48           HA       LYS  48   4.598   3.539   4.916
  381   1HB   LYS  48          HB2       LYS  48   4.803   6.550   4.432
  382   2HB   LYS  48          HB3       LYS  48   3.941   5.748   5.754
  383   1HG   LYS  48          HG2       LYS  48   6.167   4.722   6.433
  384   2HG   LYS  48          HG3       LYS  48   6.934   5.809   5.249
  385   1HD   LYS  48          HD2       LYS  48   6.089   7.770   6.418
  386   2HD   LYS  48          HD3       LYS  48   5.169   6.774   7.551
  387   1HE   LYS  48          HE2       LYS  48   8.207   6.676   7.271
  388   2HE   LYS  48          HE3       LYS  48   7.363   7.717   8.423
  389   1HZ   LYS  48          HZ1       LYS  48   8.033   5.652   9.476
  390   2HZ   LYS  48          HZ2       LYS  48   6.405   5.716   9.437
  391   3HZ   LYS  48          HZ3       LYS  48   7.214   4.748   8.396
  392    H    LEU  49           H        LEU  49   2.259   4.011   5.083
  393    HA   LEU  49           HA       LEU  49   0.957   4.664   2.499
  394   1HB   LEU  49          HB2       LEU  49   0.521   2.068   4.030
  395   2HB   LEU  49          HB3       LEU  49  -0.518   2.696   2.755
  396    HG   LEU  49           HG       LEU  49   1.736   2.757   1.360
  397   1HD1  LEU  49          HD11      LEU  49   3.193   1.820   3.214
  398   2HD1  LEU  49          HD12      LEU  49   2.180   0.375   3.228
  399   3HD1  LEU  49          HD13      LEU  49   3.142   0.784   1.790
  400   1HD2  LEU  49          HD21      LEU  49   0.110   0.239   1.891
  401   2HD2  LEU  49          HD22      LEU  49  -0.272   1.525   0.721
  402   3HD2  LEU  49          HD23      LEU  49   1.159   0.516   0.478
  403    H    ILE  50           H        ILE  50  -1.069   5.333   2.515
  404    HA   ILE  50           HA       ILE  50  -2.499   5.917   5.086
  405    HB   ILE  50           HB       ILE  50  -1.680   7.757   2.834
  406   1HG1  ILE  50          HG12      ILE  50  -0.312   7.642   4.951
  407   2HG1  ILE  50          HG13      ILE  50  -0.870   9.233   4.465
  408   1HG2  ILE  50          HG21      ILE  50  -4.029   8.222   2.868
  409   2HG2  ILE  50          HG22      ILE  50  -4.060   8.235   4.654
  410   3HG2  ILE  50          HG23      ILE  50  -3.228   9.520   3.744
  411   1HD1  ILE  50          HD11      ILE  50  -2.665   9.176   6.185
  412   2HD1  ILE  50          HD12      ILE  50  -2.146   7.558   6.660
  413   3HD1  ILE  50          HD13      ILE  50  -1.059   8.946   6.883
  414    H    TYR  51           H        TYR  51  -4.712   5.753   5.013
  415    HA   TYR  51           HA       TYR  51  -6.059   5.490   2.347
  416   1HB   TYR  51          HB2       TYR  51  -5.881   3.267   3.367
  417   2HB   TYR  51          HB3       TYR  51  -6.668   3.858   4.821
  418    HD1  TYR  51           HD1      TYR  51  -7.354   3.947   1.087
  419    HD2  TYR  51           HD2      TYR  51  -8.876   3.169   5.044
  420    HE1  TYR  51           HE1      TYR  51  -9.497   3.179   0.106
  421    HE2  TYR  51           HE2      TYR  51 -10.999   2.336   4.060
  422    HH   TYR  51           HH       TYR  51 -12.176   1.934   2.139
  423    H    ALA  52           H        ALA  52  -6.713   7.561   2.280
  424    HA   ALA  52           HA       ALA  52  -7.913   9.433   2.635
  425   1HB   ALA  52          HB1       ALA  52 -10.300   8.996   2.881
  426   2HB   ALA  52          HB2       ALA  52  -9.545   7.743   1.882
  427   3HB   ALA  52          HB3       ALA  52  -9.963   7.395   3.576
  428    H    GLY  53           H        GLY  53  -6.299   8.736   5.041
  429   1HA   GLY  53          HA2       GLY  53  -6.145  10.527   6.796
  430   2HA   GLY  53          HA3       GLY  53  -7.832  10.192   7.183
  431    H    LYS  54           H        LYS  54  -6.549   7.202   6.539
  432    HA   LYS  54           HA       LYS  54  -5.969   6.605   9.420
  433   1HB   LYS  54          HB2       LYS  54  -6.549   4.681   7.117
  434   2HB   LYS  54          HB3       LYS  54  -6.375   4.275   8.825
  435   1HG   LYS  54          HG2       LYS  54  -8.421   5.681   9.302
  436   2HG   LYS  54          HG3       LYS  54  -8.611   5.894   7.549
  437   1HD   LYS  54          HD2       LYS  54  -8.650   3.350   7.346
  438   2HD   LYS  54          HD3       LYS  54  -8.726   3.284   9.119
  439   1HE   LYS  54          HE2       LYS  54 -10.791   4.718   9.038
  440   2HE   LYS  54          HE3       LYS  54 -10.706   4.700   7.272
  441   1HZ   LYS  54          HZ1       LYS  54 -10.941   2.242   7.385
  442   2HZ   LYS  54          HZ2       LYS  54 -11.116   2.328   9.011
  443   3HZ   LYS  54          HZ3       LYS  54 -12.232   3.010   8.038
  444    H    ILE  55           H        ILE  55  -3.986   5.822   9.991
  445    HA   ILE  55           HA       ILE  55  -1.829   5.821   7.920
  446    HB   ILE  55           HB       ILE  55  -1.731   5.975  10.971
  447   1HG1  ILE  55          HG12      ILE  55  -0.615   8.130  10.668
  448   2HG1  ILE  55          HG13      ILE  55  -0.765   8.018   8.923
  449   1HG2  ILE  55          HG21      ILE  55   0.740   6.255  10.673
  450   2HG2  ILE  55          HG22      ILE  55   0.195   4.658  10.188
  451   3HG2  ILE  55          HG23      ILE  55   0.559   5.880   8.948
  452   1HD1  ILE  55          HD11      ILE  55  -2.362   9.592  10.069
  453   2HD1  ILE  55          HD12      ILE  55  -3.160   8.392   9.052
  454   3HD1  ILE  55          HD13      ILE  55  -3.142   8.189  10.826
  455    H    LEU  56           H        LEU  56  -1.461   3.870   7.068
  456    HA   LEU  56           HA       LEU  56  -2.545   1.471   8.322
  457   1HB   LEU  56          HB2       LEU  56  -0.847   1.640   5.820
  458   2HB   LEU  56          HB3       LEU  56  -1.957   0.359   6.305
  459    HG   LEU  56           HG       LEU  56  -2.683   3.136   5.315
  460   1HD1  LEU  56          HD11      LEU  56  -3.435   0.358   4.318
  461   2HD1  LEU  56          HD12      LEU  56  -3.796   1.914   3.538
  462   3HD1  LEU  56          HD13      LEU  56  -2.123   1.344   3.647
  463   1HD2  LEU  56          HD21      LEU  56  -5.065   2.406   5.554
  464   2HD2  LEU  56          HD22      LEU  56  -4.508   1.004   6.475
  465   3HD2  LEU  56          HD23      LEU  56  -4.282   2.648   7.111
  466    H    ASN  57           H        ASN  57  -1.396  -0.412   8.918
  467    HA   ASN  57           HA       ASN  57   1.270   0.179  10.134
  468   1HB   ASN  57          HB2       ASN  57  -0.616   0.570  11.659
  469   2HB   ASN  57          HB3       ASN  57  -1.283  -1.011  11.297
  470   1HD2  ASN  57          HD21      ASN  57  -1.052  -2.200  13.217
  471   2HD2  ASN  57          HD22      ASN  57   0.465  -2.272  14.097
  472    H    ASP  58           H        ASP  58   2.794  -1.330  10.042
  473    HA   ASP  58           HA       ASP  58   2.589  -3.661   8.417
  474   1HB   ASP  58          HB2       ASP  58   4.688  -2.768  10.427
  475   2HB   ASP  58          HB3       ASP  58   4.890  -4.125   9.321
  476    H    ASP  59           H        ASP  59   1.450  -3.379  11.588
  477    HA   ASP  59           HA       ASP  59   1.664  -6.326  12.058
  478   1HB   ASP  59          HB2       ASP  59   2.995  -4.798  13.569
  479   2HB   ASP  59          HB3       ASP  59   1.472  -4.131  14.146
  480    H    THR  60           H        THR  60  -0.535  -4.361  10.788
  481    HA   THR  60           HA       THR  60  -2.844  -5.712  12.119
  482    HB   THR  60           HB       THR  60  -2.616  -2.806  11.336
  483    HG1  THR  60           HG1      THR  60  -3.055  -4.022  13.837
  484   1HG2  THR  60          HG21      THR  60  -5.005  -4.340  12.419
  485   2HG2  THR  60          HG22      THR  60  -4.892  -2.567  12.279
  486   3HG2  THR  60          HG23      THR  60  -4.873  -3.561  10.819
  487    H    ALA  61           H        ALA  61  -4.256  -6.616  10.800
  488    HA   ALA  61           HA       ALA  61  -3.473  -7.157   8.129
  489   1HB   ALA  61          HB1       ALA  61  -6.022  -7.844   9.617
  490   2HB   ALA  61          HB2       ALA  61  -5.470  -8.577   8.092
  491   3HB   ALA  61          HB3       ALA  61  -4.524  -8.803   9.571
  492    H    LEU  62           H        LEU  62  -4.369  -6.715   6.143
  493    HA   LEU  62           HA       LEU  62  -5.169  -4.175   5.506
  494   1HB   LEU  62          HB2       LEU  62  -5.074  -6.832   4.226
  495   2HB   LEU  62          HB3       LEU  62  -6.225  -5.755   3.468
  496    HG   LEU  62           HG       LEU  62  -3.995  -5.836   2.451
  497   1HD1  LEU  62          HD11      LEU  62  -4.725  -3.075   3.537
  498   2HD1  LEU  62          HD12      LEU  62  -3.794  -3.421   2.067
  499   3HD1  LEU  62          HD13      LEU  62  -5.500  -3.878   2.150
  500   1HD2  LEU  62          HD21      LEU  62  -2.093  -4.682   3.380
  501   2HD2  LEU  62          HD22      LEU  62  -2.975  -4.322   4.880
  502   3HD2  LEU  62          HD23      LEU  62  -2.583  -6.001   4.442
  503    H    LYS  63           H        LYS  63  -7.459  -6.904   5.998
  504    HA   LYS  63           HA       LYS  63  -9.750  -5.318   5.355
  505   1HB   LYS  63          HB2       LYS  63 -11.058  -7.124   5.786
  506   2HB   LYS  63          HB3       LYS  63  -9.538  -7.844   5.304
  507   1HG   LYS  63          HG2       LYS  63 -10.751  -7.700   8.082
  508   2HG   LYS  63          HG3       LYS  63 -10.470  -9.124   7.078
  509   1HD   LYS  63          HD2       LYS  63  -7.959  -8.598   7.289
  510   2HD   LYS  63          HD3       LYS  63  -8.400  -7.453   8.554
  511   1HE   LYS  63          HE2       LYS  63  -8.874 -10.471   8.500
  512   2HE   LYS  63          HE3       LYS  63  -7.742  -9.595   9.530
  513   1HZ   LYS  63          HZ1       LYS  63  -9.703 -10.119  10.792
  514   2HZ   LYS  63          HZ2       LYS  63  -9.715  -8.496  10.570
  515   3HZ   LYS  63          HZ3       LYS  63 -10.704  -9.453   9.690
  516    H    GLU  64           H        GLU  64  -7.967  -5.198   8.304
  517    HA   GLU  64           HA       GLU  64 -10.155  -4.370  10.050
  518   1HB   GLU  64          HB2       GLU  64  -7.170  -3.787  10.223
  519   2HB   GLU  64          HB3       GLU  64  -8.338  -3.484  11.493
  520   1HG   GLU  64          HG2       GLU  64  -7.600  -6.229  10.402
  521   2HG   GLU  64          HG3       GLU  64  -7.028  -5.528  11.907
  522    H    TYR  65           H        TYR  65  -8.136  -2.761   7.687
  523    HA   TYR  65           HA       TYR  65  -8.839  -0.033   8.522
  524   1HB   TYR  65          HB2       TYR  65  -7.659  -0.911   5.888
  525   2HB   TYR  65          HB3       TYR  65  -7.562   0.683   6.621
  526    HD1  TYR  65           HD1      TYR  65  -6.429   0.619   9.152
  527    HD2  TYR  65           HD2      TYR  65  -5.767  -2.184   5.942
  528    HE1  TYR  65           HE1      TYR  65  -4.263  -0.058  10.171
  529    HE2  TYR  65           HE2      TYR  65  -3.646  -2.935   7.043
  530    HH   TYR  65           HH       TYR  65  -2.244  -2.650   8.794
  531    H    LYS  66           H        LYS  66 -10.470  -2.450   6.836
  532    HA   LYS  66           HA       LYS  66 -12.055  -2.659   5.245
  533   1HB   LYS  66          HB2       LYS  66 -13.078  -0.059   6.440
  534   2HB   LYS  66          HB3       LYS  66 -14.005  -1.182   5.436
  535   1HG   LYS  66          HG2       LYS  66 -13.627  -2.990   7.116
  536   2HG   LYS  66          HG3       LYS  66 -12.782  -1.831   8.157
  537   1HD   LYS  66          HD2       LYS  66 -14.834  -0.438   8.281
  538   2HD   LYS  66          HD3       LYS  66 -15.684  -1.604   7.242
  539   1HE   LYS  66          HE2       LYS  66 -15.270  -3.393   8.922
  540   2HE   LYS  66          HE3       LYS  66 -14.435  -2.228   9.959
  541   1HZ   LYS  66          HZ1       LYS  66 -16.751  -2.514  10.633
  542   2HZ   LYS  66          HZ2       LYS  66 -16.525  -0.981  10.123
  543   3HZ   LYS  66          HZ3       LYS  66 -17.295  -2.057   9.163
  544    H    ILE  67           H        ILE  67  -9.833  -1.991   4.056
  545    HA   ILE  67           HA       ILE  67  -9.980   0.153   2.139
  546    HB   ILE  67           HB       ILE  67  -8.640  -2.546   1.816
  547   1HG1  ILE  67          HG12      ILE  67  -7.766  -1.705   3.849
  548   2HG1  ILE  67          HG13      ILE  67  -6.554  -1.560   2.598
  549   1HG2  ILE  67          HG21      ILE  67  -7.064  -1.222   0.359
  550   2HG2  ILE  67          HG22      ILE  67  -8.694  -1.343  -0.296
  551   3HG2  ILE  67          HG23      ILE  67  -8.164   0.164   0.483
  552   1HD1  ILE  67          HD11      ILE  67  -6.471   0.394   4.009
  553   2HD1  ILE  67          HD12      ILE  67  -7.071   0.891   2.418
  554   3HD1  ILE  67          HD13      ILE  67  -8.202   0.685   3.782
  555    H    ASP  68           H        ASP  68 -10.728   0.107  -0.016
  556    HA   ASP  68           HA       ASP  68 -12.665  -2.057  -0.750
  557   1HB   ASP  68          HB2       ASP  68 -13.872  -0.178   0.207
  558   2HB   ASP  68          HB3       ASP  68 -13.010   0.961  -0.831
  559    H    GLU  69           H        GLU  69 -12.792  -2.625  -2.867
  560    HA   GLU  69           HA       GLU  69 -10.400  -2.281  -4.373
  561   1HB   GLU  69          HB2       GLU  69 -11.336  -3.893  -5.896
  562   2HB   GLU  69          HB3       GLU  69 -11.659  -4.382  -4.236
  563   1HG   GLU  69          HG2       GLU  69 -13.992  -3.501  -4.446
  564   2HG   GLU  69          HG3       GLU  69 -13.660  -3.055  -6.122
  565    H    LYS  70           H        LYS  70 -13.032  -0.204  -4.365
  566    HA   LYS  70           HA       LYS  70 -12.039   1.069  -6.858
  567   1HB   LYS  70          HB2       LYS  70 -14.255   1.750  -7.542
  568   2HB   LYS  70          HB3       LYS  70 -14.063   0.014  -7.580
  569   1HG   LYS  70          HG2       LYS  70 -15.374   1.345  -5.189
  570   2HG   LYS  70          HG3       LYS  70 -16.267   1.113  -6.690
  571   1HD   LYS  70          HD2       LYS  70 -15.795  -1.328  -6.618
  572   2HD   LYS  70          HD3       LYS  70 -15.020  -1.133  -5.048
  573   1HE   LYS  70          HE2       LYS  70 -17.914  -0.427  -5.697
  574   2HE   LYS  70          HE3       LYS  70 -17.379  -1.919  -4.913
  575   1HZ   LYS  70          HZ1       LYS  70 -16.489  -0.572  -3.081
  576   2HZ   LYS  70          HZ2       LYS  70 -16.999   0.801  -3.789
  577   3HZ   LYS  70          HZ3       LYS  70 -18.094  -0.300  -3.264
  578    H    ASN  71           H        ASN  71 -11.821   1.377  -3.816
  579    HA   ASN  71           HA       ASN  71 -11.778   4.364  -3.940
  580   1HB   ASN  71          HB2       ASN  71 -12.884   3.174  -1.914
  581   2HB   ASN  71          HB3       ASN  71 -11.246   2.689  -1.467
  582   1HD2  ASN  71          HD21      ASN  71 -12.089   4.012   0.486
  583   2HD2  ASN  71          HD22      ASN  71 -11.764   5.744   0.430
  584    H    PHE  72           H        PHE  72  -9.577   5.081  -2.723
  585    HA   PHE  72           HA       PHE  72  -7.359   3.327  -3.606
  586   1HB   PHE  72          HB2       PHE  72  -6.152   5.193  -4.619
  587   2HB   PHE  72          HB3       PHE  72  -7.644   4.810  -5.441
  588    HD1  PHE  72           HD1      PHE  72  -6.288   7.204  -2.842
  589    HD2  PHE  72           HD2      PHE  72  -9.042   6.544  -6.100
  590    HE1  PHE  72           HE1      PHE  72  -6.964   9.587  -2.762
  591    HE2  PHE  72           HE2      PHE  72  -9.649   8.945  -6.069
  592    HZ   PHE  72           HZ       PHE  72  -8.633  10.472  -4.381
  593    H    VAL  73           H        VAL  73  -5.308   3.901  -2.924
  594    HA   VAL  73           HA       VAL  73  -5.085   4.794  -0.070
  595    HB   VAL  73           HB       VAL  73  -4.084   2.359  -1.567
  596   1HG1  VAL  73          HG11      VAL  73  -2.723   1.671   0.334
  597   2HG1  VAL  73          HG12      VAL  73  -2.089   3.162  -0.356
  598   3HG1  VAL  73          HG13      VAL  73  -3.030   3.204   1.155
  599   1HG2  VAL  73          HG21      VAL  73  -5.467   2.597   1.118
  600   2HG2  VAL  73          HG22      VAL  73  -6.265   2.163  -0.415
  601   3HG2  VAL  73          HG23      VAL  73  -5.039   1.096   0.282
  602    H    VAL  74           H        VAL  74  -3.014   5.779   0.405
  603    HA   VAL  74           HA       VAL  74  -1.548   6.755  -2.023
  604    HB   VAL  74           HB       VAL  74  -1.669   8.197   0.633
  605   1HG1  VAL  74          HG11      VAL  74  -0.865  10.099  -0.761
  606   2HG1  VAL  74          HG12      VAL  74   0.278   8.753  -0.778
  607   3HG1  VAL  74          HG13      VAL  74  -0.787   9.021  -2.174
  608   1HG2  VAL  74          HG21      VAL  74  -3.344   8.629  -1.866
  609   2HG2  VAL  74          HG22      VAL  74  -3.942   8.217  -0.247
  610   3HG2  VAL  74          HG23      VAL  74  -3.206   9.796  -0.527
  611    H    VAL  75           H        VAL  75   0.531   6.258  -2.206
  612    HA   VAL  75           HA       VAL  75   1.989   5.015   0.088
  613    HB   VAL  75           HB       VAL  75   3.584   4.157  -1.518
  614   1HG1  VAL  75          HG11      VAL  75   1.646   2.769  -0.886
  615   2HG1  VAL  75          HG12      VAL  75   0.730   3.399  -2.265
  616   3HG1  VAL  75          HG13      VAL  75   2.187   2.416  -2.529
  617   1HG2  VAL  75          HG21      VAL  75   3.384   5.790  -3.373
  618   2HG2  VAL  75          HG22      VAL  75   3.221   4.120  -3.913
  619   3HG2  VAL  75          HG23      VAL  75   1.774   5.130  -3.759
  620    H    MET  76           H        MET  76   3.842   5.886   0.868
  621    HA   MET  76           HA       MET  76   4.872   8.454  -0.257
  622   1HB   MET  76          HB2       MET  76   4.119   7.915   2.652
  623   2HB   MET  76          HB3       MET  76   4.819   9.402   2.008
  624   1HG   MET  76          HG2       MET  76   2.762   9.662   0.571
  625   2HG   MET  76          HG3       MET  76   2.064   8.266   1.392
  626   1HE   MET  76          HE1       MET  76  -0.059  11.234   2.773
  627   2HE   MET  76          HE2       MET  76   0.626  11.081   1.141
  628   3HE   MET  76          HE3       MET  76  -0.083   9.660   1.947
  629    H    VAL  77           H        VAL  77   7.054   9.002   0.670
  630    HA   VAL  77           HA       VAL  77   8.448   6.738   1.953
  631    HB   VAL  77           HB       VAL  77   8.617   6.423  -0.516
  632   1HG1  VAL  77          HG11      VAL  77   8.841   8.796  -1.215
  633   2HG1  VAL  77          HG12      VAL  77  10.463   8.840  -0.485
  634   3HG1  VAL  77          HG13      VAL  77  10.126   7.754  -1.846
  635   1HG2  VAL  77          HG21      VAL  77  11.244   6.837   0.945
  636   2HG2  VAL  77          HG22      VAL  77  10.192   5.396   1.014
  637   3HG2  VAL  77          HG23      VAL  77  10.971   5.864  -0.510
  638    H    THR  78           H        THR  78  10.099   7.229   3.270
  639    HA   THR  78           HA       THR  78  11.228   9.961   3.296
  640    HB   THR  78           HB       THR  78   9.338  10.037   4.854
  641    HG1  THR  78           HG1      THR  78  10.533  10.907   6.520
  642   1HG2  THR  78          HG21      THR  78   9.380   8.860   6.982
  643   2HG2  THR  78          HG22      THR  78   9.333   7.682   5.659
  644   3HG2  THR  78          HG23      THR  78  10.857   7.986   6.526
  645    H    LYS  79           H        LYS  79  13.250  10.155   4.289
  646    HA   LYS  79           HA       LYS  79  14.686   7.716   5.174
  647   1HB   LYS  79          HB2       LYS  79  15.043   7.913   2.720
  648   2HB   LYS  79          HB3       LYS  79  15.598   9.576   2.943
  649   1HG   LYS  79          HG2       LYS  79  17.436   8.608   4.459
  650   2HG   LYS  79          HG3       LYS  79  16.950   7.011   3.894
  651   1HD   LYS  79          HD2       LYS  79  17.530   7.570   1.621
  652   2HD   LYS  79          HD3       LYS  79  17.712   9.287   2.003
  653   1HE   LYS  79          HE2       LYS  79  19.435   7.104   3.258
  654   2HE   LYS  79          HE3       LYS  79  19.881   7.939   1.767
  655   1HZ   LYS  79          HZ1       LYS  79  19.930  10.023   2.959
  656   2HZ   LYS  79          HZ2       LYS  79  19.403   9.352   4.350
  657   3HZ   LYS  79          HZ3       LYS  79  20.878   8.966   3.755
  658    HA   PRO  80           HA       PRO  80  16.352  10.782   8.125
  659   1HB   PRO  80          HB2       PRO  80  18.645   8.817   8.137
  660   2HB   PRO  80          HB3       PRO  80  17.839   9.619   9.520
  661   1HG   PRO  80          HG2       PRO  80  17.269   7.043   8.912
  662   2HG   PRO  80          HG3       PRO  80  15.944   8.174   9.345
  663   1HD   PRO  80          HD2       PRO  80  16.824   7.277   6.592
  664   2HD   PRO  80          HD3       PRO  80  15.171   7.434   7.262
  665    H    LYS  81           H        LYS  81  17.712  12.494   7.961
  666    HA   LYS  81           HA       LYS  81  19.974  12.533   5.993
  667   1HB   LYS  81          HB2       LYS  81  17.796  14.648   6.296
  668   2HB   LYS  81          HB3       LYS  81  19.257  14.826   5.318
  669   1HG   LYS  81          HG2       LYS  81  18.573  12.881   3.927
  670   2HG   LYS  81          HG3       LYS  81  17.061  12.779   4.848
  671   1HD   LYS  81          HD2       LYS  81  16.481  15.091   4.163
  672   2HD   LYS  81          HD3       LYS  81  17.975  15.171   3.202
  673   1HE   LYS  81          HE2       LYS  81  17.208  13.222   1.861
  674   2HE   LYS  81          HE3       LYS  81  15.725  13.139   2.822
  675   1HZ   LYS  81          HZ1       LYS  81  15.152  15.368   2.004
  676   2HZ   LYS  81          HZ2       LYS  81  16.523  15.442   1.116
  677   3HZ   LYS  81          HZ3       LYS  81  15.367  14.351   0.747
  678    H    ALA  82           H        ALA  82  19.446  12.662   9.147
  679    HA   ALA  82           HA       ALA  82  20.611  15.101  10.058
  680   1HB   ALA  82          HB1       ALA  82  20.471  12.348  11.365
  681   2HB   ALA  82          HB2       ALA  82  20.851  13.875  12.190
  682   3HB   ALA  82          HB3       ALA  82  19.247  13.634  11.473
  683    H    VAL  83           H        VAL  83  22.572  15.805   9.606
  684    HA   VAL  83           HA       VAL  83  24.953  14.015   9.818
  685    HB   VAL  83           HB       VAL  83  24.140  14.243   7.464
  686   1HG1  VAL  83          HG11      VAL  83  24.555  16.280   6.203
  687   2HG1  VAL  83          HG12      VAL  83  23.399  16.600   7.501
  688   3HG1  VAL  83          HG13      VAL  83  25.091  17.129   7.667
  689   1HG2  VAL  83          HG21      VAL  83  26.926  15.380   7.836
  690   2HG2  VAL  83          HG22      VAL  83  26.490  13.661   7.994
  691   3HG2  VAL  83          HG23      VAL  83  26.283  14.494   6.445
  692    H    SER  84           H        SER  84  23.556  16.997  10.705
  693    HA   SER  84           HA       SER  84  25.757  18.741  10.881
  694   1HB   SER  84          HB2       SER  84  23.367  18.555  12.753
  695   2HB   SER  84          HB3       SER  84  24.405  19.970  12.494
  696    HG   SER  84           HG       SER  84  22.470  20.081  11.255
  697    H    THR  85           H        THR  85  27.143  19.349  12.523
  698    HA   THR  85           HA       THR  85  28.222  17.389  14.328
  699    HB   THR  85           HB       THR  85  29.479  19.398  15.253
  700    HG1  THR  85           HG1      THR  85  27.887  20.930  14.559
  701   1HG2  THR  85          HG21      THR  85  30.893  19.628  13.259
  702   2HG2  THR  85          HG22      THR  85  30.419  17.937  13.498
  703   3HG2  THR  85          HG23      THR  85  29.622  18.911  12.243
  Start of MODEL    9
    1   1H    GLY   1           H1       GLY   1  -4.384 -17.395  -1.149
    2   2H    GLY   1           H2       GLY   1  -5.100 -15.932  -0.936
    3   3H    GLY   1           H3       GLY   1  -4.867 -16.522  -2.449
    4   1HA   GLY   1          HA2       GLY   1  -6.421 -18.310  -2.076
    5   2HA   GLY   1          HA3       GLY   1  -6.644 -17.713  -0.421
    6    H    SER   2           H        SER   2  -8.426 -16.548  -0.157
    7    HA   SER   2           HA       SER   2 -10.066 -15.476  -2.254
    8   1HB   SER   2          HB2       SER   2 -10.210 -15.049   0.754
    9   2HB   SER   2          HB3       SER   2 -11.511 -14.758  -0.414
   10    HG   SER   2           HG       SER   2 -11.555 -16.980  -0.865
   11    H    HIS   3           H        HIS   3  -7.895 -14.239  -2.889
   12    HA   HIS   3           HA       HIS   3  -7.073 -11.876  -1.659
   13   1HB   HIS   3          HB2       HIS   3  -5.924 -11.436  -3.769
   14   2HB   HIS   3          HB3       HIS   3  -5.751 -13.110  -3.267
   15    HD1  HIS   3           HD1      HIS   3  -7.202 -14.956  -4.770
   16    HD2  HIS   3           HD2      HIS   3  -7.105 -10.960  -6.109
   17    HE1  HIS   3           HE1      HIS   3  -8.021 -14.987  -7.184
   18    H    MET   4           H        MET   4  -7.083  -9.711  -2.428
   19    HA   MET   4           HA       MET   4  -9.471  -8.765  -3.924
   20   1HB   MET   4          HB2       MET   4  -9.836  -6.955  -2.382
   21   2HB   MET   4          HB3       MET   4  -9.915  -8.467  -1.482
   22   1HG   MET   4          HG2       MET   4  -7.586  -8.084  -0.666
   23   2HG   MET   4          HG3       MET   4  -7.514  -6.582  -1.592
   24   1HE   MET   4          HE1       MET   4  -7.538  -5.123   1.963
   25   2HE   MET   4          HE2       MET   4  -6.646  -6.519   1.310
   26   3HE   MET   4          HE3       MET   4  -6.819  -5.040   0.342
   27    H    GLN   5           H        GLN   5  -9.124  -6.663  -4.920
   28    HA   GLN   5           HA       GLN   5  -6.248  -6.094  -5.441
   29   1HB   GLN   5          HB2       GLN   5  -8.534  -4.994  -7.045
   30   2HB   GLN   5          HB3       GLN   5  -6.823  -5.097  -7.461
   31   1HG   GLN   5          HG2       GLN   5  -7.075  -7.623  -7.522
   32   2HG   GLN   5          HG3       GLN   5  -8.816  -7.401  -7.308
   33   1HE2  GLN   5          HE21      GLN   5  -9.825  -5.723  -8.998
   34   2HE2  GLN   5          HE22      GLN   5  -9.249  -5.992 -10.643
   35    H    VAL   6           H        VAL   6  -5.459  -3.959  -5.336
   36    HA   VAL   6           HA       VAL   6  -7.157  -1.929  -3.919
   37    HB   VAL   6           HB       VAL   6  -4.322  -2.701  -3.099
   38   1HG1  VAL   6          HG11      VAL   6  -4.800  -1.220  -1.136
   39   2HG1  VAL   6          HG12      VAL   6  -4.756  -0.334  -2.651
   40   3HG1  VAL   6          HG13      VAL   6  -6.321  -0.723  -1.915
   41   1HG2  VAL   6          HG21      VAL   6  -6.973  -3.218  -1.675
   42   2HG2  VAL   6          HG22      VAL   6  -5.868  -4.448  -2.333
   43   3HG2  VAL   6          HG23      VAL   6  -5.362  -3.458  -0.968
   44    H    THR   7           H        THR   7  -6.551   0.225  -4.283
   45    HA   THR   7           HA       THR   7  -4.925   0.695  -6.739
   46    HB   THR   7           HB       THR   7  -7.140   2.396  -5.546
   47    HG1  THR   7           HG1      THR   7  -8.482   1.423  -6.890
   48   1HG2  THR   7          HG21      THR   7  -7.150   3.394  -7.853
   49   2HG2  THR   7          HG22      THR   7  -5.659   3.706  -6.953
   50   3HG2  THR   7          HG23      THR   7  -5.679   2.459  -8.219
   51    H    LEU   8           H        LEU   8  -3.030   1.591  -6.444
   52    HA   LEU   8           HA       LEU   8  -2.443   3.052  -3.897
   53   1HB   LEU   8          HB2       LEU   8  -0.480   1.667  -5.746
   54   2HB   LEU   8          HB3       LEU   8  -0.159   2.381  -4.168
   55    HG   LEU   8           HG       LEU   8  -1.635  -0.168  -4.851
   56   1HD1  LEU   8          HD11      LEU   8   0.842  -0.110  -4.611
   57   2HD1  LEU   8          HD12      LEU   8   0.683   0.482  -2.954
   58   3HD1  LEU   8          HD13      LEU   8   0.102  -1.140  -3.387
   59   1HD2  LEU   8          HD21      LEU   8  -1.489   1.187  -2.102
   60   2HD2  LEU   8          HD22      LEU   8  -2.960   0.938  -3.058
   61   3HD2  LEU   8          HD23      LEU   8  -2.099  -0.457  -2.414
   62    H    LYS   9           H        LYS   9  -1.747   4.967  -3.939
   63    HA   LYS   9           HA       LYS   9  -1.346   6.541  -6.433
   64   1HB   LYS   9          HB2       LYS   9  -3.559   6.571  -5.140
   65   2HB   LYS   9          HB3       LYS   9  -2.676   7.111  -3.727
   66   1HG   LYS   9          HG2       LYS   9  -3.825   8.904  -4.637
   67   2HG   LYS   9          HG3       LYS   9  -2.089   9.213  -4.901
   68   1HD   LYS   9          HD2       LYS   9  -2.320   8.481  -7.256
   69   2HD   LYS   9          HD3       LYS   9  -4.033   8.098  -6.977
   70   1HE   LYS   9          HE2       LYS   9  -4.472  10.486  -6.464
   71   2HE   LYS   9          HE3       LYS   9  -2.773  10.865  -6.781
   72   1HZ   LYS   9          HZ1       LYS   9  -4.158  11.258  -8.753
   73   2HZ   LYS   9          HZ2       LYS   9  -3.095  10.048  -9.059
   74   3HZ   LYS   9          HZ3       LYS   9  -4.651   9.696  -8.765
   75    H    THR  10           H        THR  10   0.307   8.131  -6.393
   76    HA   THR  10           HA       THR  10   2.190   7.877  -4.060
   77    HB   THR  10           HB       THR  10   3.977   7.669  -5.564
   78    HG1  THR  10           HG1      THR  10   3.654   7.736  -7.811
   79   1HG2  THR  10          HG21      THR  10   1.771   5.939  -6.753
   80   2HG2  THR  10          HG22      THR  10   3.515   5.644  -6.813
   81   3HG2  THR  10          HG23      THR  10   2.667   5.574  -5.257
   82    H    LEU  11           H        LEU  11   3.766   9.433  -3.672
   83    HA   LEU  11           HA       LEU  11   3.102  12.221  -4.034
   84   1HB   LEU  11          HB2       LEU  11   5.755  10.878  -3.351
   85   2HB   LEU  11          HB3       LEU  11   5.416  12.600  -3.204
   86    HG   LEU  11           HG       LEU  11   4.098  10.380  -1.589
   87   1HD1  LEU  11          HD11      LEU  11   5.335  11.388   0.292
   88   2HD1  LEU  11          HD12      LEU  11   6.441  10.833  -0.981
   89   3HD1  LEU  11          HD13      LEU  11   6.074  12.563  -0.812
   90   1HD2  LEU  11          HD21      LEU  11   3.734  13.406  -1.450
   91   2HD2  LEU  11          HD22      LEU  11   2.488  12.203  -1.861
   92   3HD2  LEU  11          HD23      LEU  11   3.152  12.256  -0.227
   93    H    GLN  12           H        GLN  12   4.897   9.929  -5.959
   94    HA   GLN  12           HA       GLN  12   6.095  11.828  -7.791
   95   1HB   GLN  12          HB2       GLN  12   5.722   8.799  -7.975
   96   2HB   GLN  12          HB3       GLN  12   6.725   9.791  -9.022
   97   1HG   GLN  12          HG2       GLN  12   8.332   9.047  -7.639
   98   2HG   GLN  12          HG3       GLN  12   7.930  10.526  -6.786
   99   1HE2  GLN  12          HE21      GLN  12   9.217   8.062  -5.728
  100   2HE2  GLN  12          HE22      GLN  12   8.130   7.441  -4.500
  101    H    GLN  13           H        GLN  13   2.967  11.466  -7.408
  102    HA   GLN  13           HA       GLN  13   1.122  11.890  -8.576
  103   1HB   GLN  13          HB2       GLN  13   2.871  12.996 -10.788
  104   2HB   GLN  13          HB3       GLN  13   1.193  13.371 -10.444
  105   1HG   GLN  13          HG2       GLN  13   1.926  15.143  -9.305
  106   2HG   GLN  13          HG3       GLN  13   2.407  14.040  -8.028
  107   1HE2  GLN  13          HE21      GLN  13   4.647  14.121  -7.475
  108   2HE2  GLN  13          HE22      GLN  13   5.849  14.866  -8.527
  109    H    GLN  14           H        GLN  14   1.747   9.263  -8.689
  110    HA   GLN  14           HA       GLN  14   0.696   8.411 -11.353
  111   1HB   GLN  14          HB2       GLN  14   3.166   7.978 -11.034
  112   2HB   GLN  14          HB3       GLN  14   2.770   6.962  -9.644
  113   1HG   GLN  14          HG2       GLN  14   1.494   5.437 -11.113
  114   2HG   GLN  14          HG3       GLN  14   1.843   6.476 -12.504
  115   1HE2  GLN  14          HE21      GLN  14   4.308   6.772 -12.974
  116   2HE2  GLN  14          HE22      GLN  14   5.306   5.355 -12.668
  117    H    THR  15           H        THR  15  -0.630   6.492 -11.275
  118    HA   THR  15           HA       THR  15  -1.267   5.410  -8.624
  119    HB   THR  15           HB       THR  15  -3.611   5.621 -10.472
  120    HG1  THR  15           HG1      THR  15  -2.942   7.730 -10.435
  121   1HG2  THR  15          HG21      THR  15  -4.823   5.778  -8.318
  122   2HG2  THR  15          HG22      THR  15  -3.765   4.350  -8.368
  123   3HG2  THR  15          HG23      THR  15  -3.280   5.776  -7.438
  124    H    PHE  16           H        PHE  16  -1.646   3.208  -8.602
  125    HA   PHE  16           HA       PHE  16  -1.962   1.682 -11.112
  126   1HB   PHE  16          HB2       PHE  16  -0.060   0.233 -10.648
  127   2HB   PHE  16          HB3       PHE  16   0.459   1.885 -10.889
  128    HD1  PHE  16           HD1      PHE  16   0.433  -0.966  -8.509
  129    HD2  PHE  16           HD2      PHE  16   1.128   3.303  -8.904
  130    HE1  PHE  16           HE1      PHE  16   1.894  -1.002  -6.570
  131    HE2  PHE  16           HE2      PHE  16   2.460   3.261  -6.816
  132    HZ   PHE  16           HZ       PHE  16   2.878   1.095  -5.656
  133    H    LYS  17           H        LYS  17  -2.173  -0.715 -10.564
  134    HA   LYS  17           HA       LYS  17  -3.580  -1.176  -8.000
  135   1HB   LYS  17          HB2       LYS  17  -4.617  -1.660 -10.816
  136   2HB   LYS  17          HB3       LYS  17  -5.292  -2.474  -9.391
  137   1HG   LYS  17          HG2       LYS  17  -5.877  -0.385  -8.356
  138   2HG   LYS  17          HG3       LYS  17  -5.045   0.556  -9.600
  139   1HD   LYS  17          HD2       LYS  17  -7.335   0.734 -10.007
  140   2HD   LYS  17          HD3       LYS  17  -6.627  -0.283 -11.287
  141   1HE   LYS  17          HE2       LYS  17  -7.459  -2.314 -10.095
  142   2HE   LYS  17          HE3       LYS  17  -8.093  -1.289  -8.796
  143   1HZ   LYS  17          HZ1       LYS  17  -9.603  -0.287 -10.429
  144   2HZ   LYS  17          HZ2       LYS  17  -9.040  -1.270 -11.613
  145   3HZ   LYS  17          HZ3       LYS  17  -9.845  -1.900 -10.329
  146    H    ILE  18           H        ILE  18  -3.318  -2.985  -7.090
  147    HA   ILE  18           HA       ILE  18  -1.972  -5.324  -8.306
  148    HB   ILE  18           HB       ILE  18  -0.663  -5.296  -6.037
  149   1HG1  ILE  18          HG12      ILE  18   0.204  -3.178  -5.283
  150   2HG1  ILE  18          HG13      ILE  18  -0.846  -2.286  -6.383
  151   1HG2  ILE  18          HG21      ILE  18   1.260  -4.245  -7.183
  152   2HG2  ILE  18          HG22      ILE  18   0.352  -5.285  -8.289
  153   3HG2  ILE  18          HG23      ILE  18   0.163  -3.525  -8.372
  154   1HD1  ILE  18          HD11      ILE  18  -2.814  -3.027  -5.178
  155   2HD1  ILE  18          HD12      ILE  18  -1.841  -4.110  -4.148
  156   3HD1  ILE  18          HD13      ILE  18  -1.673  -2.349  -4.028
  157    H    ASP  19           H        ASP  19  -1.881  -7.113  -6.403
  158    HA   ASP  19           HA       ASP  19  -4.425  -7.067  -4.903
  159   1HB   ASP  19          HB2       ASP  19  -5.202  -9.115  -5.807
  160   2HB   ASP  19          HB3       ASP  19  -4.844  -8.053  -7.159
  161    H    ILE  20           H        ILE  20  -4.505  -8.255  -3.090
  162    HA   ILE  20           HA       ILE  20  -2.455 -10.168  -2.296
  163    HB   ILE  20           HB       ILE  20  -1.800  -9.169  -0.262
  164   1HG1  ILE  20          HG12      ILE  20  -3.656  -7.980   0.553
  165   2HG1  ILE  20          HG13      ILE  20  -2.302  -6.880   0.446
  166   1HG2  ILE  20          HG21      ILE  20  -0.423  -8.568  -2.190
  167   2HG2  ILE  20          HG22      ILE  20  -1.332  -7.062  -2.404
  168   3HG2  ILE  20          HG23      ILE  20  -0.367  -7.338  -0.937
  169   1HD1  ILE  20          HD11      ILE  20  -4.742  -6.967  -1.365
  170   2HD1  ILE  20          HD12      ILE  20  -4.295  -5.717  -0.213
  171   3HD1  ILE  20          HD13      ILE  20  -3.317  -5.933  -1.677
  172    H    ASP  21           H        ASP  21  -3.100 -11.113  -0.012
  173    HA   ASP  21           HA       ASP  21  -5.958 -11.693   0.017
  174   1HB   ASP  21          HB2       ASP  21  -3.672 -12.482   1.821
  175   2HB   ASP  21          HB3       ASP  21  -5.351 -12.911   2.151
  176    HA   PRO  22           HA       PRO  22  -7.239  -8.234   2.662
  177   1HB   PRO  22          HB2       PRO  22  -9.362 -10.158   3.571
  178   2HB   PRO  22          HB3       PRO  22  -9.535  -8.478   2.984
  179   1HG   PRO  22          HG2       PRO  22 -10.167 -10.635   1.423
  180   2HG   PRO  22          HG3       PRO  22  -9.421  -9.166   0.737
  181   1HD   PRO  22          HD2       PRO  22  -8.127 -11.800   1.379
  182   2HD   PRO  22          HD3       PRO  22  -7.832 -10.667   0.024
  183    H    GLU  23           H        GLU  23  -6.893 -11.526   3.871
  184    HA   GLU  23           HA       GLU  23  -6.824 -10.876   6.703
  185   1HB   GLU  23          HB2       GLU  23  -5.913 -13.348   5.168
  186   2HB   GLU  23          HB3       GLU  23  -6.096 -13.248   6.916
  187   1HG   GLU  23          HG2       GLU  23  -8.331 -13.030   4.857
  188   2HG   GLU  23          HG3       GLU  23  -7.985 -14.409   5.887
  189    H    GLU  24           H        GLU  24  -4.447 -10.330   4.259
  190    HA   GLU  24           HA       GLU  24  -2.153 -10.995   5.984
  191   1HB   GLU  24          HB2       GLU  24  -2.346 -11.481   3.474
  192   2HB   GLU  24          HB3       GLU  24  -2.229  -9.738   3.215
  193   1HG   GLU  24          HG2       GLU  24  -0.102 -10.798   2.873
  194   2HG   GLU  24          HG3       GLU  24  -0.019  -9.733   4.274
  195    H    THR  25           H        THR  25  -0.450  -9.266   6.317
  196    HA   THR  25           HA       THR  25  -1.761  -6.806   7.291
  197    HB   THR  25           HB       THR  25   0.322  -6.285   8.367
  198    HG1  THR  25           HG1      THR  25   2.112  -7.449   8.083
  199   1HG2  THR  25          HG21      THR  25   0.548  -8.153   9.909
  200   2HG2  THR  25          HG22      THR  25  -1.165  -7.920   9.522
  201   3HG2  THR  25          HG23      THR  25  -0.256  -9.251   8.774
  202    H    VAL  26           H        VAL  26  -0.731  -4.695   6.976
  203    HA   VAL  26           HA       VAL  26  -0.554  -3.931   4.249
  204    HB   VAL  26           HB       VAL  26   0.737  -2.525   6.620
  205   1HG1  VAL  26          HG11      VAL  26   1.559  -1.555   4.531
  206   2HG1  VAL  26          HG12      VAL  26  -0.104  -1.406   3.916
  207   3HG1  VAL  26          HG13      VAL  26   0.452  -0.443   5.308
  208   1HG2  VAL  26          HG21      VAL  26  -2.008  -1.976   5.422
  209   2HG2  VAL  26          HG22      VAL  26  -1.754  -2.906   6.918
  210   3HG2  VAL  26          HG23      VAL  26  -1.281  -1.215   6.836
  211    H    LYS  27           H        LYS  27   2.063  -5.084   6.331
  212    HA   LYS  27           HA       LYS  27   4.354  -4.348   4.883
  213   1HB   LYS  27          HB2       LYS  27   4.420  -5.486   7.032
  214   2HB   LYS  27          HB3       LYS  27   3.752  -6.963   6.312
  215   1HG   LYS  27          HG2       LYS  27   5.748  -7.208   4.903
  216   2HG   LYS  27          HG3       LYS  27   6.415  -5.689   5.531
  217   1HD   LYS  27          HD2       LYS  27   6.554  -6.648   7.777
  218   2HD   LYS  27          HD3       LYS  27   5.776  -8.145   7.240
  219   1HE   LYS  27          HE2       LYS  27   8.425  -7.083   6.143
  220   2HE   LYS  27          HE3       LYS  27   8.298  -8.247   7.466
  221   1HZ   LYS  27          HZ1       LYS  27   8.635  -9.388   5.372
  222   2HZ   LYS  27          HZ2       LYS  27   7.149  -9.764   5.928
  223   3HZ   LYS  27          HZ3       LYS  27   7.322  -8.716   4.682
  224    H    ALA  28           H        ALA  28   2.050  -6.977   4.032
  225    HA   ALA  28           HA       ALA  28   3.772  -8.060   2.001
  226   1HB   ALA  28          HB1       ALA  28   1.702  -9.301   1.353
  227   2HB   ALA  28          HB2       ALA  28   1.993  -9.340   3.106
  228   3HB   ALA  28          HB3       ALA  28   0.752  -8.256   2.438
  229    H    LEU  29           H        LEU  29   0.922  -5.847   1.716
  230    HA   LEU  29           HA       LEU  29   1.249  -5.482  -1.124
  231   1HB   LEU  29          HB2       LEU  29  -0.659  -4.388  -1.091
  232   2HB   LEU  29          HB3       LEU  29  -0.789  -5.086   0.505
  233    HG   LEU  29           HG       LEU  29   0.253  -2.877   1.357
  234   1HD1  LEU  29          HD11      LEU  29   0.888  -1.714  -0.698
  235   2HD1  LEU  29          HD12      LEU  29  -0.699  -2.056  -1.420
  236   3HD1  LEU  29          HD13      LEU  29  -0.543  -0.902  -0.087
  237   1HD2  LEU  29          HD21      LEU  29  -2.117  -3.635   1.632
  238   2HD2  LEU  29          HD22      LEU  29  -1.994  -1.877   1.483
  239   3HD2  LEU  29          HD23      LEU  29  -2.535  -2.859   0.100
  240    H    LYS  30           H        LYS  30   2.623  -3.905   1.656
  241    HA   LYS  30           HA       LYS  30   3.936  -1.760   0.205
  242   1HB   LYS  30          HB2       LYS  30   3.200  -1.612   2.518
  243   2HB   LYS  30          HB3       LYS  30   4.177  -2.989   2.976
  244   1HG   LYS  30          HG2       LYS  30   5.773  -0.788   1.817
  245   2HG   LYS  30          HG3       LYS  30   4.830  -0.305   3.231
  246   1HD   LYS  30          HD2       LYS  30   5.743  -2.370   4.403
  247   2HD   LYS  30          HD3       LYS  30   6.884  -2.529   3.048
  248   1HE   LYS  30          HE2       LYS  30   7.973  -0.470   3.639
  249   2HE   LYS  30          HE3       LYS  30   6.551   0.130   4.497
  250   1HZ   LYS  30          HZ1       LYS  30   8.276  -0.524   6.044
  251   2HZ   LYS  30          HZ2       LYS  30   6.937  -1.463   6.248
  252   3HZ   LYS  30          HZ3       LYS  30   8.270  -2.061   5.503
  253    H    GLU  31           H        GLU  31   5.064  -4.995   1.248
  254    HA   GLU  31           HA       GLU  31   7.710  -4.455   0.236
  255   1HB   GLU  31          HB2       GLU  31   8.352  -6.513   0.959
  256   2HB   GLU  31          HB3       GLU  31   7.065  -6.101   2.085
  257   1HG   GLU  31          HG2       GLU  31   5.529  -7.599   0.864
  258   2HG   GLU  31          HG3       GLU  31   6.813  -8.008  -0.269
  259    H    LYS  32           H        LYS  32   4.831  -6.096  -1.186
  260    HA   LYS  32           HA       LYS  32   6.250  -7.201  -3.386
  261   1HB   LYS  32          HB2       LYS  32   4.152  -7.773  -4.280
  262   2HB   LYS  32          HB3       LYS  32   3.998  -7.856  -2.534
  263   1HG   LYS  32          HG2       LYS  32   2.107  -6.704  -2.807
  264   2HG   LYS  32          HG3       LYS  32   3.161  -5.307  -2.892
  265   1HD   LYS  32          HD2       LYS  32   1.433  -5.281  -4.662
  266   2HD   LYS  32          HD3       LYS  32   3.042  -5.301  -5.342
  267   1HE   LYS  32          HE2       LYS  32   1.476  -6.754  -6.575
  268   2HE   LYS  32          HE3       LYS  32   2.886  -7.611  -5.973
  269   1HZ   LYS  32          HZ1       LYS  32   1.518  -8.511  -4.173
  270   2HZ   LYS  32          HZ2       LYS  32   0.188  -7.714  -4.697
  271   3HZ   LYS  32          HZ3       LYS  32   0.851  -8.879  -5.608
  272    H    ILE  33           H        ILE  33   4.972  -3.914  -3.045
  273    HA   ILE  33           HA       ILE  33   5.330  -3.341  -5.874
  274    HB   ILE  33           HB       ILE  33   4.618  -1.143  -5.439
  275   1HG1  ILE  33          HG12      ILE  33   3.772  -0.591  -3.026
  276   2HG1  ILE  33          HG13      ILE  33   5.021  -1.709  -2.492
  277   1HG2  ILE  33          HG21      ILE  33   2.975  -3.169  -3.884
  278   2HG2  ILE  33          HG22      ILE  33   2.399  -1.649  -4.524
  279   3HG2  ILE  33          HG23      ILE  33   2.961  -2.904  -5.641
  280   1HD1  ILE  33          HD11      ILE  33   5.684   0.727  -2.538
  281   2HD1  ILE  33          HD12      ILE  33   6.748  -0.277  -3.531
  282   3HD1  ILE  33          HD13      ILE  33   5.489   0.721  -4.296
  283    H    GLU  34           H        GLU  34   7.486  -3.215  -3.119
  284    HA   GLU  34           HA       GLU  34   9.494  -1.500  -4.255
  285   1HB   GLU  34          HB2       GLU  34   9.504  -2.373  -1.922
  286   2HB   GLU  34          HB3       GLU  34   9.879  -3.988  -2.546
  287   1HG   GLU  34          HG2       GLU  34  11.981  -3.067  -3.563
  288   2HG   GLU  34          HG3       GLU  34  11.596  -1.501  -2.859
  289    H    SER  35           H        SER  35   8.668  -4.941  -4.862
  290    HA   SER  35           HA       SER  35  10.927  -5.482  -6.581
  291   1HB   SER  35          HB2       SER  35   8.200  -6.834  -6.534
  292   2HB   SER  35          HB3       SER  35   9.686  -7.482  -7.241
  293    HG   SER  35           HG       SER  35  10.606  -7.535  -5.155
  294    H    GLU  36           H        GLU  36   7.896  -3.853  -7.166
  295    HA   GLU  36           HA       GLU  36   8.108  -4.144 -10.131
  296   1HB   GLU  36          HB2       GLU  36   5.926  -3.130  -8.279
  297   2HB   GLU  36          HB3       GLU  36   5.830  -3.094 -10.047
  298   1HG   GLU  36          HG2       GLU  36   6.177  -5.576 -10.102
  299   2HG   GLU  36          HG3       GLU  36   6.149  -5.605  -8.339
  300    H    LYS  37           H        LYS  37   8.186  -1.637  -7.628
  301    HA   LYS  37           HA       LYS  37   8.573   0.514  -9.670
  302   1HB   LYS  37          HB2       LYS  37   7.907   0.714  -6.706
  303   2HB   LYS  37          HB3       LYS  37   7.903   2.026  -7.885
  304   1HG   LYS  37          HG2       LYS  37   5.983  -0.341  -7.917
  305   2HG   LYS  37          HG3       LYS  37   5.638   1.265  -7.276
  306   1HD   LYS  37          HD2       LYS  37   5.978   2.274  -9.493
  307   2HD   LYS  37          HD3       LYS  37   6.366   0.681 -10.181
  308   1HE   LYS  37          HE2       LYS  37   4.132  -0.159  -9.576
  309   2HE   LYS  37          HE3       LYS  37   3.729   1.392  -8.832
  310   1HZ   LYS  37          HZ1       LYS  37   2.873   1.195 -11.118
  311   2HZ   LYS  37          HZ2       LYS  37   3.912   2.449 -10.994
  312   3HZ   LYS  37          HZ3       LYS  37   4.388   1.050 -11.709
  313    H    GLY  38           H        GLY  38  10.364  -1.295  -7.424
  314   1HA   GLY  38          HA2       GLY  38  12.673  -1.352  -7.230
  315   2HA   GLY  38          HA3       GLY  38  12.813   0.221  -8.000
  316    H    LYS  39           H        LYS  39  13.848  -1.096  -5.395
  317    HA   LYS  39           HA       LYS  39  12.844   0.429  -3.191
  318   1HB   LYS  39          HB2       LYS  39  14.553  -0.509  -1.914
  319   2HB   LYS  39          HB3       LYS  39  14.165  -1.718  -3.119
  320   1HG   LYS  39          HG2       LYS  39  16.402  -1.887  -3.261
  321   2HG   LYS  39          HG3       LYS  39  16.226  -0.577  -4.430
  322   1HD   LYS  39          HD2       LYS  39  16.748   1.070  -2.604
  323   2HD   LYS  39          HD3       LYS  39  16.861  -0.270  -1.448
  324   1HE   LYS  39          HE2       LYS  39  18.718  -1.251  -2.798
  325   2HE   LYS  39          HE3       LYS  39  18.603   0.098  -3.936
  326   1HZ   LYS  39          HZ1       LYS  39  19.304   0.349  -1.055
  327   2HZ   LYS  39          HZ2       LYS  39  20.355   0.468  -2.296
  328   3HZ   LYS  39          HZ3       LYS  39  19.197   1.600  -2.102
  329    H    ASP  40           H        ASP  40  14.883   1.432  -5.749
  330    HA   ASP  40           HA       ASP  40  16.165   3.693  -4.482
  331   1HB   ASP  40          HB2       ASP  40  16.637   4.385  -6.763
  332   2HB   ASP  40          HB3       ASP  40  16.996   2.676  -6.536
  333    H    ALA  41           H        ALA  41  12.909   3.149  -5.468
  334    HA   ALA  41           HA       ALA  41  12.247   6.042  -5.039
  335   1HB   ALA  41          HB1       ALA  41  10.959   4.063  -6.959
  336   2HB   ALA  41          HB2       ALA  41  10.435   5.738  -6.683
  337   3HB   ALA  41          HB3       ALA  41  12.027   5.415  -7.400
  338    H    PHE  42           H        PHE  42  11.405   2.708  -4.241
  339    HA   PHE  42           HA       PHE  42   9.548   3.695  -2.125
  340   1HB   PHE  42          HB2       PHE  42   8.956   1.491  -4.134
  341   2HB   PHE  42          HB3       PHE  42   8.021   1.809  -2.677
  342    HD1  PHE  42           HD1      PHE  42   6.571   3.768  -2.460
  343    HD2  PHE  42           HD2      PHE  42   8.843   3.056  -6.051
  344    HE1  PHE  42           HE1      PHE  42   5.229   5.489  -3.654
  345    HE2  PHE  42           HE2      PHE  42   7.496   4.769  -7.247
  346    HZ   PHE  42           HZ       PHE  42   5.704   5.998  -6.043
  347    HA   PRO  43           HA       PRO  43  12.715   0.542  -0.658
  348   1HB   PRO  43          HB2       PRO  43  13.783   1.956   1.439
  349   2HB   PRO  43          HB3       PRO  43  14.355   2.121  -0.241
  350   1HG   PRO  43          HG2       PRO  43  12.412   3.898   1.256
  351   2HG   PRO  43          HG3       PRO  43  13.794   4.386   0.226
  352   1HD   PRO  43          HD2       PRO  43  11.209   4.342  -0.677
  353   2HD   PRO  43          HD3       PRO  43  12.593   3.965  -1.742
  354    H    VAL  44           H        VAL  44  11.887  -1.036   0.648
  355    HA   VAL  44           HA       VAL  44   9.626  -0.685   2.385
  356    HB   VAL  44           HB       VAL  44  11.695  -2.884   2.158
  357   1HG1  VAL  44          HG11      VAL  44   9.152  -2.961   3.841
  358   2HG1  VAL  44          HG12      VAL  44  10.183  -4.345   3.448
  359   3HG1  VAL  44          HG13      VAL  44  10.821  -3.053   4.465
  360   1HG2  VAL  44          HG21      VAL  44   9.841  -4.062   1.072
  361   2HG2  VAL  44          HG22      VAL  44   8.725  -2.721   1.444
  362   3HG2  VAL  44          HG23      VAL  44  10.042  -2.488   0.294
  363    H    ALA  45           H        ALA  45  13.046  -0.268   3.029
  364    HA   ALA  45           HA       ALA  45  12.866  -0.060   5.894
  365   1HB   ALA  45          HB1       ALA  45  15.155   0.823   5.663
  366   2HB   ALA  45          HB2       ALA  45  14.930  -0.604   4.635
  367   3HB   ALA  45          HB3       ALA  45  14.920   1.026   3.914
  368    H    GLY  46           H        GLY  46  11.657   2.142   3.545
  369   1HA   GLY  46          HA2       GLY  46  11.617   4.379   5.530
  370   2HA   GLY  46          HA3       GLY  46  12.383   4.629   3.964
  371    H    GLN  47           H        GLN  47   9.818   2.707   3.107
  372    HA   GLN  47           HA       GLN  47   8.139   5.030   2.517
  373   1HB   GLN  47          HB2       GLN  47   6.895   3.692   1.056
  374   2HB   GLN  47          HB3       GLN  47   8.593   3.316   0.791
  375   1HG   GLN  47          HG2       GLN  47   8.358   1.195   1.991
  376   2HG   GLN  47          HG3       GLN  47   6.712   1.602   2.470
  377   1HE2  GLN  47          HE21      GLN  47   8.608   0.140  -0.092
  378   2HE2  GLN  47          HE22      GLN  47   7.181  -0.219  -1.043
  379    H    LYS  48           H        LYS  48   5.913   5.166   2.890
  380    HA   LYS  48           HA       LYS  48   4.689   3.704   5.171
  381   1HB   LYS  48          HB2       LYS  48   5.851   5.764   6.030
  382   2HB   LYS  48          HB3       LYS  48   4.915   6.743   4.905
  383   1HG   LYS  48          HG2       LYS  48   4.004   6.955   7.113
  384   2HG   LYS  48          HG3       LYS  48   2.824   6.134   6.110
  385   1HD   LYS  48          HD2       LYS  48   3.580   3.922   7.147
  386   2HD   LYS  48          HD3       LYS  48   4.727   4.847   8.123
  387   1HE   LYS  48          HE2       LYS  48   2.937   4.581   9.586
  388   2HE   LYS  48          HE3       LYS  48   2.698   6.208   8.950
  389   1HZ   LYS  48          HZ1       LYS  48   1.066   5.132   7.325
  390   2HZ   LYS  48          HZ2       LYS  48   1.229   3.734   8.182
  391   3HZ   LYS  48          HZ3       LYS  48   0.624   5.051   8.897
  392    H    LEU  49           H        LEU  49   2.344   3.978   5.227
  393    HA   LEU  49           HA       LEU  49   1.078   4.881   2.676
  394   1HB   LEU  49          HB2       LEU  49   0.604   2.237   4.123
  395   2HB   LEU  49          HB3       LEU  49  -0.427   2.911   2.871
  396    HG   LEU  49           HG       LEU  49   1.785   3.010   1.440
  397   1HD1  LEU  49          HD11      LEU  49   2.367   0.672   3.326
  398   2HD1  LEU  49          HD12      LEU  49   3.232   1.040   1.815
  399   3HD1  LEU  49          HD13      LEU  49   3.360   2.132   3.184
  400   1HD2  LEU  49          HD21      LEU  49   1.264   0.760   0.560
  401   2HD2  LEU  49          HD22      LEU  49   0.278   0.424   2.005
  402   3HD2  LEU  49          HD23      LEU  49  -0.196   1.701   0.861
  403    H    ILE  50           H        ILE  50  -1.052   5.442   2.777
  404    HA   ILE  50           HA       ILE  50  -2.542   5.708   5.354
  405    HB   ILE  50           HB       ILE  50  -1.800   7.895   3.367
  406   1HG1  ILE  50          HG12      ILE  50  -0.417   7.753   5.400
  407   2HG1  ILE  50          HG13      ILE  50  -1.314   9.258   5.295
  408   1HG2  ILE  50          HG21      ILE  50  -4.164   8.167   3.371
  409   2HG2  ILE  50          HG22      ILE  50  -4.268   7.907   5.133
  410   3HG2  ILE  50          HG23      ILE  50  -3.526   9.381   4.472
  411   1HD1  ILE  50          HD11      ILE  50  -3.033   8.278   6.917
  412   2HD1  ILE  50          HD12      ILE  50  -1.940   6.890   7.080
  413   3HD1  ILE  50          HD13      ILE  50  -1.396   8.495   7.584
  414    H    TYR  51           H        TYR  51  -4.718   5.332   5.109
  415    HA   TYR  51           HA       TYR  51  -5.779   4.996   2.319
  416   1HB   TYR  51          HB2       TYR  51  -5.714   2.864   3.432
  417   2HB   TYR  51          HB3       TYR  51  -6.573   3.518   4.825
  418    HD1  TYR  51           HD1      TYR  51  -8.732   2.647   4.949
  419    HD2  TYR  51           HD2      TYR  51  -7.135   3.672   1.080
  420    HE1  TYR  51           HE1      TYR  51 -10.894   2.015   3.892
  421    HE2  TYR  51           HE2      TYR  51  -9.271   3.015   0.022
  422    HH   TYR  51           HH       TYR  51 -12.073   1.836   1.933
  423    H    ALA  52           H        ALA  52  -6.162   7.167   2.172
  424    HA   ALA  52           HA       ALA  52  -7.283   9.124   2.285
  425   1HB   ALA  52          HB1       ALA  52  -8.762   7.551   1.088
  426   2HB   ALA  52          HB2       ALA  52  -9.619   7.205   2.608
  427   3HB   ALA  52          HB3       ALA  52  -9.674   8.835   1.900
  428    H    GLY  53           H        GLY  53  -6.315   8.385   4.975
  429   1HA   GLY  53          HA2       GLY  53  -6.655  10.148   6.756
  430   2HA   GLY  53          HA3       GLY  53  -8.358   9.699   6.747
  431    H    LYS  54           H        LYS  54  -6.782   6.800   6.331
  432    HA   LYS  54           HA       LYS  54  -6.730   6.215   9.272
  433   1HB   LYS  54          HB2       LYS  54  -6.919   4.212   6.991
  434   2HB   LYS  54          HB3       LYS  54  -7.065   3.904   8.722
  435   1HG   LYS  54          HG2       LYS  54  -9.132   5.420   8.700
  436   2HG   LYS  54          HG3       LYS  54  -9.011   5.386   6.929
  437   1HD   LYS  54          HD2       LYS  54  -9.025   2.807   7.140
  438   2HD   LYS  54          HD3       LYS  54  -9.513   3.057   8.824
  439   1HE   LYS  54          HE2       LYS  54 -11.475   4.384   8.050
  440   2HE   LYS  54          HE3       LYS  54 -10.965   4.155   6.372
  441   1HZ   LYS  54          HZ1       LYS  54 -11.242   1.736   6.707
  442   2HZ   LYS  54          HZ2       LYS  54 -11.796   1.993   8.228
  443   3HZ   LYS  54          HZ3       LYS  54 -12.652   2.540   6.949
  444    H    ILE  55           H        ILE  55  -4.982   5.229  10.173
  445    HA   ILE  55           HA       ILE  55  -2.461   5.694   8.702
  446    HB   ILE  55           HB       ILE  55  -2.917   5.394  11.700
  447   1HG1  ILE  55          HG12      ILE  55  -2.197   7.870  11.669
  448   2HG1  ILE  55          HG13      ILE  55  -2.590   7.881   9.956
  449   1HG2  ILE  55          HG21      ILE  55  -0.615   6.237  11.892
  450   2HG2  ILE  55          HG22      ILE  55  -0.617   4.760  10.946
  451   3HG2  ILE  55          HG23      ILE  55  -0.474   6.343  10.129
  452   1HD1  ILE  55          HD11      ILE  55  -4.953   7.546  10.468
  453   2HD1  ILE  55          HD12      ILE  55  -4.573   7.172  12.171
  454   3HD1  ILE  55          HD13      ILE  55  -4.337   8.808  11.529
  455    H    LEU  56           H        LEU  56  -2.319   3.913   7.486
  456    HA   LEU  56           HA       LEU  56  -2.716   1.216   8.249
  457   1HB   LEU  56          HB2       LEU  56  -1.483   2.713   5.966
  458   2HB   LEU  56          HB3       LEU  56  -1.000   1.044   6.146
  459    HG   LEU  56           HG       LEU  56  -3.271   0.240   5.982
  460   1HD1  LEU  56          HD11      LEU  56  -5.171   1.701   5.495
  461   2HD1  LEU  56          HD12      LEU  56  -4.518   2.073   7.083
  462   3HD1  LEU  56          HD13      LEU  56  -4.147   3.145   5.723
  463   1HD2  LEU  56          HD21      LEU  56  -2.007   0.690   3.900
  464   2HD2  LEU  56          HD22      LEU  56  -3.742   0.933   3.660
  465   3HD2  LEU  56          HD23      LEU  56  -2.678   2.338   3.845
  466    H    ASN  57           H        ASN  57  -1.485  -0.387   8.982
  467    HA   ASN  57           HA       ASN  57   1.262   0.207  10.000
  468   1HB   ASN  57          HB2       ASN  57  -0.310   0.424  11.813
  469   2HB   ASN  57          HB3       ASN  57  -1.196  -1.013  11.285
  470   1HD2  ASN  57          HD21      ASN  57   2.123  -0.128  12.533
  471   2HD2  ASN  57          HD22      ASN  57   2.329  -1.752  13.225
  472    H    ASP  58           H        ASP  58   2.779  -1.240   9.656
  473    HA   ASP  58           HA       ASP  58   2.629  -3.351   7.857
  474   1HB   ASP  58          HB2       ASP  58   4.646  -2.847  10.090
  475   2HB   ASP  58          HB3       ASP  58   4.919  -3.888   8.702
  476    H    ASP  59           H        ASP  59   1.722  -3.573  11.203
  477    HA   ASP  59           HA       ASP  59   1.825  -6.548  11.099
  478   1HB   ASP  59          HB2       ASP  59   2.363  -6.615  13.426
  479   2HB   ASP  59          HB3       ASP  59   3.557  -5.698  12.537
  480    H    THR  60           H        THR  60  -0.366  -4.472  10.505
  481    HA   THR  60           HA       THR  60  -2.549  -5.848  12.039
  482    HB   THR  60           HB       THR  60  -2.434  -2.991  10.997
  483    HG1  THR  60           HG1      THR  60  -1.402  -3.241  12.929
  484   1HG2  THR  60          HG21      THR  60  -4.645  -2.727  12.106
  485   2HG2  THR  60          HG22      THR  60  -4.719  -3.821  10.724
  486   3HG2  THR  60          HG23      THR  60  -4.707  -4.485  12.376
  487    H    ALA  61           H        ALA  61  -4.006  -6.907  10.853
  488    HA   ALA  61           HA       ALA  61  -3.578  -7.423   8.092
  489   1HB   ALA  61          HB1       ALA  61  -5.941  -8.069   9.873
  490   2HB   ALA  61          HB2       ALA  61  -5.583  -8.795   8.283
  491   3HB   ALA  61          HB3       ALA  61  -4.472  -9.055   9.639
  492    H    LEU  62           H        LEU  62  -4.654  -6.868   6.252
  493    HA   LEU  62           HA       LEU  62  -5.411  -4.168   6.077
  494   1HB   LEU  62          HB2       LEU  62  -5.630  -6.510   4.151
  495   2HB   LEU  62          HB3       LEU  62  -5.995  -4.853   3.666
  496    HG   LEU  62           HG       LEU  62  -3.324  -5.555   4.952
  497   1HD1  LEU  62          HD11      LEU  62  -2.367  -5.737   2.734
  498   2HD1  LEU  62          HD12      LEU  62  -3.619  -6.966   2.950
  499   3HD1  LEU  62          HD13      LEU  62  -3.975  -5.507   1.997
  500   1HD2  LEU  62          HD21      LEU  62  -3.994  -3.144   4.846
  501   2HD2  LEU  62          HD22      LEU  62  -2.614  -3.504   3.813
  502   3HD2  LEU  62          HD23      LEU  62  -4.216  -3.309   3.094
  503    H    LYS  63           H        LYS  63  -7.605  -6.975   6.220
  504    HA   LYS  63           HA       LYS  63  -9.953  -5.441   5.669
  505   1HB   LYS  63          HB2       LYS  63 -11.205  -7.268   6.134
  506   2HB   LYS  63          HB3       LYS  63  -9.688  -7.962   5.603
  507   1HG   LYS  63          HG2       LYS  63 -10.790  -7.808   8.435
  508   2HG   LYS  63          HG3       LYS  63 -10.571  -9.239   7.432
  509   1HD   LYS  63          HD2       LYS  63  -8.048  -8.740   7.509
  510   2HD   LYS  63          HD3       LYS  63  -8.411  -7.572   8.785
  511   1HE   LYS  63          HE2       LYS  63  -8.942 -10.579   8.789
  512   2HE   LYS  63          HE3       LYS  63  -7.725  -9.724   9.738
  513   1HZ   LYS  63          HZ1       LYS  63  -9.615 -10.189  11.121
  514   2HZ   LYS  63          HZ2       LYS  63  -9.605  -8.568  10.885
  515   3HZ   LYS  63          HZ3       LYS  63 -10.665  -9.512  10.076
  516    H    GLU  64           H        GLU  64  -8.045  -5.280   8.538
  517    HA   GLU  64           HA       GLU  64 -10.163  -4.266  10.291
  518   1HB   GLU  64          HB2       GLU  64  -7.164  -3.744  10.366
  519   2HB   GLU  64          HB3       GLU  64  -8.311  -3.381  11.639
  520   1HG   GLU  64          HG2       GLU  64  -7.546  -6.164  10.664
  521   2HG   GLU  64          HG3       GLU  64  -7.032  -5.399  12.158
  522    H    TYR  65           H        TYR  65  -8.153  -2.948   7.734
  523    HA   TYR  65           HA       TYR  65  -8.974  -0.152   8.276
  524   1HB   TYR  65          HB2       TYR  65  -7.142  -1.379   6.179
  525   2HB   TYR  65          HB3       TYR  65  -7.502   0.334   6.308
  526    HD1  TYR  65           HD1      TYR  65  -7.115   1.465   8.638
  527    HD2  TYR  65           HD2      TYR  65  -5.254  -2.242   7.430
  528    HE1  TYR  65           HE1      TYR  65  -5.379   1.757  10.392
  529    HE2  TYR  65           HE2      TYR  65  -3.537  -1.949   9.177
  530    HH   TYR  65           HH       TYR  65  -3.499   0.918  11.337
  531    H    LYS  66           H        LYS  66 -10.315  -2.768   6.676
  532    HA   LYS  66           HA       LYS  66 -11.899  -3.112   5.068
  533   1HB   LYS  66          HB2       LYS  66 -12.969  -0.503   6.202
  534   2HB   LYS  66          HB3       LYS  66 -13.889  -1.682   5.256
  535   1HG   LYS  66          HG2       LYS  66 -13.460  -3.414   6.989
  536   2HG   LYS  66          HG3       LYS  66 -12.603  -2.209   7.972
  537   1HD   LYS  66          HD2       LYS  66 -14.667  -0.835   8.087
  538   2HD   LYS  66          HD3       LYS  66 -15.527  -2.051   7.116
  539   1HE   LYS  66          HE2       LYS  66 -15.053  -3.766   8.853
  540   2HE   LYS  66          HE3       LYS  66 -14.204  -2.554   9.823
  541   1HZ   LYS  66          HZ1       LYS  66 -17.088  -2.441   9.097
  542   2HZ   LYS  66          HZ2       LYS  66 -16.501  -2.835  10.566
  543   3HZ   LYS  66          HZ3       LYS  66 -16.303  -1.320   9.992
  544    H    ILE  67           H        ILE  67  -9.707  -2.318   3.846
  545    HA   ILE  67           HA       ILE  67 -10.008  -0.077   2.047
  546    HB   ILE  67           HB       ILE  67  -8.142  -2.446   1.819
  547   1HG1  ILE  67          HG12      ILE  67  -7.949   0.226   3.257
  548   2HG1  ILE  67          HG13      ILE  67  -7.792  -1.394   3.932
  549   1HG2  ILE  67          HG21      ILE  67  -8.073   0.328   0.512
  550   2HG2  ILE  67          HG22      ILE  67  -6.812  -0.911   0.378
  551   3HG2  ILE  67          HG23      ILE  67  -8.383  -1.204  -0.336
  552   1HD1  ILE  67          HD11      ILE  67  -5.810   0.091   2.212
  553   2HD1  ILE  67          HD12      ILE  67  -5.622  -0.498   3.876
  554   3HD1  ILE  67          HD13      ILE  67  -5.694  -1.659   2.528
  555    H    ASP  68           H        ASP  68 -10.586  -0.011  -0.120
  556    HA   ASP  68           HA       ASP  68 -11.808  -2.409  -1.383
  557   1HB   ASP  68          HB2       ASP  68 -13.519  -1.058  -0.054
  558   2HB   ASP  68          HB3       ASP  68 -13.234   0.266  -1.187
  559    H    GLU  69           H        GLU  69 -11.740  -2.467  -3.586
  560    HA   GLU  69           HA       GLU  69  -9.699  -1.114  -4.996
  561   1HB   GLU  69          HB2       GLU  69 -10.907  -3.379  -5.430
  562   2HB   GLU  69          HB3       GLU  69 -12.133  -2.416  -6.261
  563   1HG   GLU  69          HG2       GLU  69 -10.198  -1.481  -7.691
  564   2HG   GLU  69          HG3       GLU  69  -9.180  -2.709  -6.957
  565    H    LYS  70           H        LYS  70 -12.943  -0.076  -4.353
  566    HA   LYS  70           HA       LYS  70 -13.169   1.801  -6.640
  567   1HB   LYS  70          HB2       LYS  70 -14.911   1.334  -4.209
  568   2HB   LYS  70          HB3       LYS  70 -15.292   2.426  -5.545
  569   1HG   LYS  70          HG2       LYS  70 -15.296   0.586  -7.157
  570   2HG   LYS  70          HG3       LYS  70 -14.822  -0.576  -5.898
  571   1HD   LYS  70          HD2       LYS  70 -16.836   0.054  -4.597
  572   2HD   LYS  70          HD3       LYS  70 -17.365   1.083  -5.937
  573   1HE   LYS  70          HE2       LYS  70 -16.858  -1.930  -6.105
  574   2HE   LYS  70          HE3       LYS  70 -18.449  -1.210  -5.847
  575   1HZ   LYS  70          HZ1       LYS  70 -16.774  -0.795  -8.265
  576   2HZ   LYS  70          HZ2       LYS  70 -18.117  -1.714  -8.184
  577   3HZ   LYS  70          HZ3       LYS  70 -18.232  -0.097  -8.007
  578    H    ASN  71           H        ASN  71 -11.688   1.868  -3.613
  579    HA   ASN  71           HA       ASN  71 -11.408   4.854  -3.706
  580   1HB   ASN  71          HB2       ASN  71 -12.697   3.879  -1.733
  581   2HB   ASN  71          HB3       ASN  71 -11.216   3.063  -1.258
  582   1HD2  ASN  71          HD21      ASN  71 -11.661   4.330   0.754
  583   2HD2  ASN  71          HD22      ASN  71 -11.089   5.996   0.819
  584    H    PHE  72           H        PHE  72  -9.179   5.390  -2.439
  585    HA   PHE  72           HA       PHE  72  -7.047   3.568  -3.413
  586   1HB   PHE  72          HB2       PHE  72  -5.867   5.310  -4.552
  587   2HB   PHE  72          HB3       PHE  72  -7.467   5.119  -5.227
  588    HD1  PHE  72           HD1      PHE  72  -5.307   7.313  -3.127
  589    HD2  PHE  72           HD2      PHE  72  -9.058   6.939  -5.225
  590    HE1  PHE  72           HE1      PHE  72  -5.658   9.757  -2.932
  591    HE2  PHE  72           HE2      PHE  72  -9.405   9.390  -5.030
  592    HZ   PHE  72           HZ       PHE  72  -7.711  10.804  -3.877
  593    H    VAL  73           H        VAL  73  -4.823   4.527  -2.882
  594    HA   VAL  73           HA       VAL  73  -4.713   4.887   0.089
  595    HB   VAL  73           HB       VAL  73  -3.626   2.584  -1.573
  596   1HG1  VAL  73          HG11      VAL  73  -3.060   3.166   1.365
  597   2HG1  VAL  73          HG12      VAL  73  -2.596   1.701   0.484
  598   3HG1  VAL  73          HG13      VAL  73  -1.873   3.248   0.045
  599   1HG2  VAL  73          HG21      VAL  73  -5.983   2.299  -0.761
  600   2HG2  VAL  73          HG22      VAL  73  -4.843   1.103  -0.135
  601   3HG2  VAL  73          HG23      VAL  73  -5.356   2.430   0.906
  602    H    VAL  74           H        VAL  74  -3.037   6.257   0.561
  603    HA   VAL  74           HA       VAL  74  -1.355   7.153  -1.732
  604    HB   VAL  74           HB       VAL  74  -1.900   8.598   0.879
  605   1HG1  VAL  74          HG11      VAL  74  -0.974  10.545  -0.370
  606   2HG1  VAL  74          HG12      VAL  74   0.237   9.269  -0.196
  607   3HG1  VAL  74          HG13      VAL  74  -0.602   9.486  -1.748
  608   1HG2  VAL  74          HG21      VAL  74  -3.971   8.443  -0.462
  609   2HG2  VAL  74          HG22      VAL  74  -3.321  10.082  -0.530
  610   3HG2  VAL  74          HG23      VAL  74  -3.092   8.985  -1.910
  611    H    VAL  75           H        VAL  75   0.608   6.497  -1.850
  612    HA   VAL  75           HA       VAL  75   2.082   5.383   0.479
  613    HB   VAL  75           HB       VAL  75   2.783   5.229  -2.471
  614   1HG1  VAL  75          HG11      VAL  75   4.137   3.276  -1.745
  615   2HG1  VAL  75          HG12      VAL  75   4.670   4.761  -0.959
  616   3HG1  VAL  75          HG13      VAL  75   3.681   3.590  -0.060
  617   1HG2  VAL  75          HG21      VAL  75   0.625   4.111  -2.236
  618   2HG2  VAL  75          HG22      VAL  75   1.896   2.903  -2.421
  619   3HG2  VAL  75          HG23      VAL  75   1.206   3.218  -0.816
  620    H    MET  76           H        MET  76   3.913   6.283   1.200
  621    HA   MET  76           HA       MET  76   5.036   8.770  -0.026
  622   1HB   MET  76          HB2       MET  76   4.267   8.346   2.899
  623   2HB   MET  76          HB3       MET  76   5.008   9.794   2.210
  624   1HG   MET  76          HG2       MET  76   2.970  10.104   0.782
  625   2HG   MET  76          HG3       MET  76   2.228   8.723   1.596
  626   1HE   MET  76          HE1       MET  76   0.094  10.051   2.284
  627   2HE   MET  76          HE2       MET  76   0.132  11.655   3.049
  628   3HE   MET  76          HE3       MET  76   0.743  11.451   1.391
  629    H    VAL  77           H        VAL  77   7.199   9.330   0.894
  630    HA   VAL  77           HA       VAL  77   8.668   7.095   2.202
  631    HB   VAL  77           HB       VAL  77   9.650   8.491  -0.322
  632   1HG1  VAL  77          HG11      VAL  77  10.903   6.263   1.351
  633   2HG1  VAL  77          HG12      VAL  77  11.508   6.839  -0.218
  634   3HG1  VAL  77          HG13      VAL  77  11.527   7.921   1.169
  635   1HG2  VAL  77          HG21      VAL  77   8.735   5.615   0.108
  636   2HG2  VAL  77          HG22      VAL  77   7.956   6.829  -0.932
  637   3HG2  VAL  77          HG23      VAL  77   9.555   6.221  -1.343
  638    H    THR  78           H        THR  78  10.243   7.735   3.600
  639    HA   THR  78           HA       THR  78  11.047  10.590   3.694
  640    HB   THR  78           HB       THR  78   9.083  10.377   5.155
  641    HG1  THR  78           HG1      THR  78  10.061  11.373   6.893
  642   1HG2  THR  78          HG21      THR  78   9.181   9.185   7.274
  643   2HG2  THR  78          HG22      THR  78   9.369   8.029   5.948
  644   3HG2  THR  78          HG23      THR  78  10.787   8.537   6.893
  645    H    LYS  79           H        LYS  79  12.959  11.050   4.764
  646    HA   LYS  79           HA       LYS  79  14.693   8.880   5.757
  647   1HB   LYS  79          HB2       LYS  79  14.997   9.059   3.285
  648   2HB   LYS  79          HB3       LYS  79  15.422  10.763   3.467
  649   1HG   LYS  79          HG2       LYS  79  17.428  10.122   4.782
  650   2HG   LYS  79          HG3       LYS  79  16.953   8.409   4.661
  651   1HD   LYS  79          HD2       LYS  79  17.120   8.550   2.183
  652   2HD   LYS  79          HD3       LYS  79  17.528  10.259   2.316
  653   1HE   LYS  79          HE2       LYS  79  19.580   9.089   1.944
  654   2HE   LYS  79          HE3       LYS  79  19.590   9.651   3.618
  655   1HZ   LYS  79          HZ1       LYS  79  20.335   7.337   3.418
  656   2HZ   LYS  79          HZ2       LYS  79  18.968   7.384   4.301
  657   3HZ   LYS  79          HZ3       LYS  79  18.923   6.882   2.745
  658    HA   PRO  80           HA       PRO  80  15.544  11.928   8.822
  659   1HB   PRO  80          HB2       PRO  80  18.429  11.038   8.632
  660   2HB   PRO  80          HB3       PRO  80  17.448  11.347  10.102
  661   1HG   PRO  80          HG2       PRO  80  17.781   8.815   9.232
  662   2HG   PRO  80          HG3       PRO  80  16.152   9.369   9.741
  663   1HD   PRO  80          HD2       PRO  80  17.254   9.065   6.951
  664   2HD   PRO  80          HD3       PRO  80  15.641   8.632   7.593
  665    H    LYS  81           H        LYS  81  17.394  12.249   5.907
  666    HA   LYS  81           HA       LYS  81  18.623  14.805   6.429
  667   1HB   LYS  81          HB2       LYS  81  19.052  14.937   4.096
  668   2HB   LYS  81          HB3       LYS  81  19.314  13.270   4.600
  669   1HG   LYS  81          HG2       LYS  81  17.108  12.629   3.633
  670   2HG   LYS  81          HG3       LYS  81  16.822  14.316   3.166
  671   1HD   LYS  81          HD2       LYS  81  18.894  14.248   1.759
  672   2HD   LYS  81          HD3       LYS  81  19.059  12.521   2.137
  673   1HE   LYS  81          HE2       LYS  81  16.816  12.099   1.135
  674   2HE   LYS  81          HE3       LYS  81  16.639  13.825   0.800
  675   1HZ   LYS  81          HZ1       LYS  81  18.744  12.084  -0.380
  676   2HZ   LYS  81          HZ2       LYS  81  17.417  12.623  -1.161
  677   3HZ   LYS  81          HZ3       LYS  81  18.563  13.680  -0.684
  678    H    ALA  82           H        ALA  82  15.299  14.041   5.821
  679    HA   ALA  82           HA       ALA  82  14.413  16.455   4.611
  680   1HB   ALA  82          HB1       ALA  82  12.191  15.726   5.411
  681   2HB   ALA  82          HB2       ALA  82  13.097  14.387   4.679
  682   3HB   ALA  82          HB3       ALA  82  12.960  14.503   6.448
  683    H    VAL  83           H        VAL  83  14.670  18.439   5.370
  684    HA   VAL  83           HA       VAL  83  14.131  19.087   8.234
  685    HB   VAL  83           HB       VAL  83  16.559  18.654   7.739
  686   1HG1  VAL  83          HG11      VAL  83  16.706  19.702   5.505
  687   2HG1  VAL  83          HG12      VAL  83  16.458  21.301   6.240
  688   3HG1  VAL  83          HG13      VAL  83  17.900  20.348   6.636
  689   1HG2  VAL  83          HG21      VAL  83  15.816  19.976   9.696
  690   2HG2  VAL  83          HG22      VAL  83  17.425  20.404   9.094
  691   3HG2  VAL  83          HG23      VAL  83  16.052  21.464   8.749
  692    H    SER  84           H        SER  84  13.256  19.789   5.120
  693    HA   SER  84           HA       SER  84  13.171  22.597   4.940
  694   1HB   SER  84          HB2       SER  84  11.192  20.590   3.796
  695   2HB   SER  84          HB3       SER  84  11.488  22.241   3.214
  696    HG   SER  84           HG       SER  84  12.635  20.680   1.982
  697    H    THR  85           H        THR  85  11.559  24.127   5.225
  698    HA   THR  85           HA       THR  85   9.158  23.537   6.878
  699    HB   THR  85           HB       THR  85   9.642  25.584   8.238
  700    HG1  THR  85           HG1      THR  85  11.782  26.285   8.320
  701   1HG2  THR  85          HG21      THR  85  10.038  23.291   9.129
  702   2HG2  THR  85          HG22      THR  85  11.725  23.388   8.577
  703   3HG2  THR  85          HG23      THR  85  11.127  24.507   9.818
  Start of MODEL   10
    1   1H    GLY   1           H1       GLY   1 -13.465 -14.640   0.764
    2   2H    GLY   1           H2       GLY   1 -14.449 -13.714  -0.164
    3   3H    GLY   1           H3       GLY   1 -13.172 -13.039   0.606
    4   1HA   GLY   1          HA2       GLY   1 -12.996 -15.029  -1.562
    5   2HA   GLY   1          HA3       GLY   1 -12.696 -13.291  -1.746
    6    H    SER   2           H        SER   2 -10.857 -15.509  -2.279
    7    HA   SER   2           HA       SER   2  -8.897 -15.823  -0.217
    8   1HB   SER   2          HB2       SER   2  -7.502 -16.721  -2.057
    9   2HB   SER   2          HB3       SER   2  -9.137 -17.401  -2.040
   10    HG   SER   2           HG       SER   2  -8.567 -16.824  -4.146
   11    H    HIS   3           H        HIS   3  -9.396 -13.222  -2.471
   12    HA   HIS   3           HA       HIS   3  -6.993 -11.775  -1.540
   13   1HB   HIS   3          HB2       HIS   3  -6.257 -11.314  -3.807
   14   2HB   HIS   3          HB3       HIS   3  -6.238 -13.041  -3.493
   15    HD1  HIS   3           HD1      HIS   3  -8.450 -14.433  -4.624
   16    HD2  HIS   3           HD2      HIS   3  -7.589 -10.516  -5.929
   17    HE1  HIS   3           HE1      HIS   3  -9.674 -14.128  -6.841
   18    H    MET   4           H        MET   4  -7.007  -9.509  -2.283
   19    HA   MET   4           HA       MET   4  -9.548  -8.427  -3.338
   20   1HB   MET   4          HB2       MET   4  -9.743  -6.704  -1.706
   21   2HB   MET   4          HB3       MET   4  -9.685  -8.233  -0.830
   22   1HG   MET   4          HG2       MET   4  -7.343  -7.829  -0.212
   23   2HG   MET   4          HG3       MET   4  -7.290  -6.388  -1.232
   24   1HE   MET   4          HE1       MET   4  -6.161  -6.002   1.484
   25   2HE   MET   4          HE2       MET   4  -6.461  -4.689   0.327
   26   3HE   MET   4          HE3       MET   4  -6.979  -4.509   2.013
   27    H    GLN   5           H        GLN   5  -9.278  -6.232  -4.192
   28    HA   GLN   5           HA       GLN   5  -6.500  -5.694  -5.128
   29   1HB   GLN   5          HB2       GLN   5  -8.063  -6.529  -6.830
   30   2HB   GLN   5          HB3       GLN   5  -9.169  -5.186  -6.488
   31   1HG   GLN   5          HG2       GLN   5  -7.357  -3.590  -7.207
   32   2HG   GLN   5          HG3       GLN   5  -6.343  -4.982  -7.618
   33   1HE2  GLN   5          HE21      GLN   5  -7.107  -6.405  -9.433
   34   2HE2  GLN   5          HE22      GLN   5  -8.194  -5.704 -10.622
   35    H    VAL   6           H        VAL   6  -5.752  -3.590  -5.161
   36    HA   VAL   6           HA       VAL   6  -7.365  -1.432  -3.889
   37    HB   VAL   6           HB       VAL   6  -4.509  -2.080  -3.052
   38   1HG1  VAL   6          HG11      VAL   6  -6.668  -0.276  -1.863
   39   2HG1  VAL   6          HG12      VAL   6  -5.066  -0.578  -1.150
   40   3HG1  VAL   6          HG13      VAL   6  -5.199   0.268  -2.683
   41   1HG2  VAL   6          HG21      VAL   6  -7.085  -2.809  -1.592
   42   2HG2  VAL   6          HG22      VAL   6  -5.850  -3.935  -2.205
   43   3HG2  VAL   6          HG23      VAL   6  -5.462  -2.848  -0.876
   44    H    THR   7           H        THR   7  -6.758   0.620  -4.482
   45    HA   THR   7           HA       THR   7  -5.070   0.932  -6.926
   46    HB   THR   7           HB       THR   7  -7.018   2.882  -5.649
   47    HG1  THR   7           HG1      THR   7  -8.530   1.808  -6.415
   48   1HG2  THR   7          HG21      THR   7  -5.767   2.753  -8.414
   49   2HG2  THR   7          HG22      THR   7  -7.108   3.832  -7.964
   50   3HG2  THR   7          HG23      THR   7  -5.545   3.994  -7.157
   51    H    LEU   8           H        LEU   8  -3.064   1.841  -6.616
   52    HA   LEU   8           HA       LEU   8  -2.505   3.216  -4.008
   53   1HB   LEU   8          HB2       LEU   8  -0.496   1.785  -5.754
   54   2HB   LEU   8          HB3       LEU   8  -0.290   2.390  -4.116
   55    HG   LEU   8           HG       LEU   8  -1.792  -0.055  -5.089
   56   1HD1  LEU   8          HD11      LEU   8   0.407   0.375  -3.015
   57   2HD1  LEU   8          HD12      LEU   8  -0.251  -1.192  -3.544
   58   3HD1  LEU   8          HD13      LEU   8   0.629  -0.157  -4.684
   59   1HD2  LEU   8          HD21      LEU   8  -3.191   0.988  -3.311
   60   2HD2  LEU   8          HD22      LEU   8  -2.432  -0.491  -2.716
   61   3HD2  LEU   8          HD23      LEU   8  -1.782   1.103  -2.250
   62    H    LYS   9           H        LYS   9  -1.944   5.322  -4.157
   63    HA   LYS   9           HA       LYS   9  -0.703   6.269  -6.695
   64   1HB   LYS   9          HB2       LYS   9  -1.853   8.277  -6.672
   65   2HB   LYS   9          HB3       LYS   9  -3.069   7.026  -6.399
   66   1HG   LYS   9          HG2       LYS   9  -2.952   7.531  -3.939
   67   2HG   LYS   9          HG3       LYS   9  -1.923   8.927  -4.348
   68   1HD   LYS   9          HD2       LYS   9  -4.816   8.435  -5.182
   69   2HD   LYS   9          HD3       LYS   9  -4.205   9.655  -4.071
   70   1HE   LYS   9          HE2       LYS   9  -4.492  10.979  -5.884
   71   2HE   LYS   9          HE3       LYS   9  -2.827  10.486  -6.182
   72   1HZ   LYS   9          HZ1       LYS   9  -5.247   9.251  -7.413
   73   2HZ   LYS   9          HZ2       LYS   9  -4.238  10.278  -8.169
   74   3HZ   LYS   9          HZ3       LYS   9  -3.714   8.791  -7.761
   75    H    THR  10           H        THR  10   0.820   7.858  -6.694
   76    HA   THR  10           HA       THR  10   2.574   7.556  -4.338
   77    HB   THR  10           HB       THR  10   4.371   8.109  -5.855
   78    HG1  THR  10           HG1      THR  10   3.838   8.511  -8.067
   79   1HG2  THR  10          HG21      THR  10   3.479   5.770  -5.974
   80   2HG2  THR  10          HG22      THR  10   2.478   6.256  -7.360
   81   3HG2  THR  10          HG23      THR  10   4.249   6.321  -7.470
   82    H    LEU  11           H        LEU  11   3.977   9.189  -3.606
   83    HA   LEU  11           HA       LEU  11   3.121  11.914  -3.459
   84   1HB   LEU  11          HB2       LEU  11   5.091  12.304  -2.274
   85   2HB   LEU  11          HB3       LEU  11   4.571  10.695  -1.817
   86    HG   LEU  11           HG       LEU  11   6.869  11.391  -3.713
   87   1HD1  LEU  11          HD11      LEU  11   7.307  11.898  -1.357
   88   2HD1  LEU  11          HD12      LEU  11   6.829  10.251  -0.899
   89   3HD1  LEU  11          HD13      LEU  11   8.279  10.523  -1.896
   90   1HD2  LEU  11          HD21      LEU  11   6.007   9.229  -4.422
   91   2HD2  LEU  11          HD22      LEU  11   7.492   8.978  -3.512
   92   3HD2  LEU  11          HD23      LEU  11   5.932   8.657  -2.731
   93    H    GLN  12           H        GLN  12   3.861  10.529  -6.266
   94    HA   GLN  12           HA       GLN  12   5.078  12.965  -7.469
   95   1HB   GLN  12          HB2       GLN  12   5.777  10.065  -8.075
   96   2HB   GLN  12          HB3       GLN  12   6.326  11.450  -9.019
   97   1HG   GLN  12          HG2       GLN  12   7.021  11.052  -6.079
   98   2HG   GLN  12          HG3       GLN  12   8.015  10.521  -7.423
   99   1HE2  GLN  12          HE21      GLN  12   6.737  13.464  -5.793
  100   2HE2  GLN  12          HE22      GLN  12   7.960  14.518  -6.503
  101    H    GLN  13           H        GLN  13   2.259  11.826  -7.181
  102    HA   GLN  13           HA       GLN  13   0.342  11.901  -8.362
  103   1HB   GLN  13          HB2       GLN  13   1.942  13.626 -10.281
  104   2HB   GLN  13          HB3       GLN  13   0.185  13.566 -10.150
  105   1HG   GLN  13          HG2       GLN  13   0.252  14.471  -7.882
  106   2HG   GLN  13          HG3       GLN  13   2.017  14.438  -7.870
  107   1HE2  GLN  13          HE21      GLN  13   3.189  15.855  -9.440
  108   2HE2  GLN  13          HE22      GLN  13   2.391  17.337  -9.947
  109    H    GLN  14           H        GLN  14   1.351   9.486  -8.705
  110    HA   GLN  14           HA       GLN  14   0.460   8.708 -11.427
  111   1HB   GLN  14          HB2       GLN  14   2.945   8.672 -11.399
  112   2HB   GLN  14          HB3       GLN  14   2.925   7.673  -9.939
  113   1HG   GLN  14          HG2       GLN  14   1.848   5.842 -11.151
  114   2HG   GLN  14          HG3       GLN  14   1.738   6.837 -12.612
  115   1HE2  GLN  14          HE21      GLN  14   3.680   7.134 -13.893
  116   2HE2  GLN  14          HE22      GLN  14   5.135   6.216 -13.542
  117    H    THR  15           H        THR  15  -0.693   6.680 -11.378
  118    HA   THR  15           HA       THR  15  -1.174   5.484  -8.702
  119    HB   THR  15           HB       THR  15  -3.475   6.127 -10.555
  120    HG1  THR  15           HG1      THR  15  -2.630   8.075  -9.868
  121   1HG2  THR  15          HG21      THR  15  -3.299   5.299  -7.645
  122   2HG2  THR  15          HG22      THR  15  -4.772   5.922  -8.417
  123   3HG2  THR  15          HG23      THR  15  -4.024   4.412  -8.987
  124    H    PHE  16           H        PHE  16  -1.677   3.312  -8.667
  125    HA   PHE  16           HA       PHE  16  -1.944   1.779 -11.185
  126   1HB   PHE  16          HB2       PHE  16  -0.020   0.366 -10.646
  127   2HB   PHE  16          HB3       PHE  16   0.441   2.020 -10.956
  128    HD1  PHE  16           HD1      PHE  16   0.598  -0.724  -8.567
  129    HD2  PHE  16           HD2      PHE  16   1.071   3.555  -9.007
  130    HE1  PHE  16           HE1      PHE  16   1.906  -0.639  -6.492
  131    HE2  PHE  16           HE2      PHE  16   2.340   3.621  -6.880
  132    HZ   PHE  16           HZ       PHE  16   2.739   1.520  -5.601
  133    H    LYS  17           H        LYS  17  -2.062  -0.658 -10.609
  134    HA   LYS  17           HA       LYS  17  -4.091  -0.991  -8.422
  135   1HB   LYS  17          HB2       LYS  17  -4.026  -2.169 -11.237
  136   2HB   LYS  17          HB3       LYS  17  -5.251  -2.508 -10.030
  137   1HG   LYS  17          HG2       LYS  17  -4.714   0.234 -11.274
  138   2HG   LYS  17          HG3       LYS  17  -5.942  -0.897 -11.819
  139   1HD   LYS  17          HD2       LYS  17  -5.863   0.375  -9.056
  140   2HD   LYS  17          HD3       LYS  17  -6.849   0.919 -10.422
  141   1HE   LYS  17          HE2       LYS  17  -7.834  -1.469 -10.479
  142   2HE   LYS  17          HE3       LYS  17  -7.065  -1.713  -8.907
  143   1HZ   LYS  17          HZ1       LYS  17  -9.123   0.329  -9.548
  144   2HZ   LYS  17          HZ2       LYS  17  -9.327  -0.972  -8.583
  145   3HZ   LYS  17          HZ3       LYS  17  -8.348   0.254  -8.120
  146    H    ILE  18           H        ILE  18  -3.674  -2.501  -7.017
  147    HA   ILE  18           HA       ILE  18  -1.755  -4.747  -7.574
  148    HB   ILE  18           HB       ILE  18  -2.033  -2.914  -5.146
  149   1HG1  ILE  18          HG12      ILE  18  -0.803  -1.750  -6.816
  150   2HG1  ILE  18          HG13      ILE  18   0.316  -2.300  -5.584
  151   1HG2  ILE  18          HG21      ILE  18  -0.011  -4.121  -4.242
  152   2HG2  ILE  18          HG22      ILE  18  -1.510  -5.049  -4.233
  153   3HG2  ILE  18          HG23      ILE  18  -0.285  -5.373  -5.475
  154   1HD1  ILE  18          HD11      ILE  18   1.439  -2.659  -7.638
  155   2HD1  ILE  18          HD12      ILE  18   0.899  -4.256  -7.132
  156   3HD1  ILE  18          HD13      ILE  18   0.020  -3.391  -8.392
  157    H    ASP  19           H        ASP  19  -2.172  -6.716  -6.404
  158    HA   ASP  19           HA       ASP  19  -4.606  -6.807  -4.750
  159   1HB   ASP  19          HB2       ASP  19  -5.545  -8.700  -5.846
  160   2HB   ASP  19          HB3       ASP  19  -5.372  -7.392  -7.005
  161    H    ILE  20           H        ILE  20  -4.520  -8.099  -3.054
  162    HA   ILE  20           HA       ILE  20  -2.452 -10.140  -2.674
  163    HB   ILE  20           HB       ILE  20  -1.492  -9.266  -0.705
  164   1HG1  ILE  20          HG12      ILE  20  -3.117  -8.148   0.508
  165   2HG1  ILE  20          HG13      ILE  20  -1.890  -6.956   0.157
  166   1HG2  ILE  20          HG21      ILE  20  -0.398  -8.514  -2.758
  167   2HG2  ILE  20          HG22      ILE  20  -1.333  -7.008  -2.723
  168   3HG2  ILE  20          HG23      ILE  20  -0.164  -7.374  -1.441
  169   1HD1  ILE  20          HD11      ILE  20  -4.680  -7.173  -1.019
  170   2HD1  ILE  20          HD12      ILE  20  -3.966  -5.837  -0.121
  171   3HD1  ILE  20          HD13      ILE  20  -3.426  -6.163  -1.777
  172    H    ASP  21           H        ASP  21  -2.734 -11.201  -0.436
  173    HA   ASP  21           HA       ASP  21  -5.430 -12.036   0.044
  174   1HB   ASP  21          HB2       ASP  21  -2.873 -12.249   1.657
  175   2HB   ASP  21          HB3       ASP  21  -4.389 -13.008   2.140
  176    HA   PRO  22           HA       PRO  22  -6.568  -8.435   2.582
  177   1HB   PRO  22          HB2       PRO  22  -9.062  -9.191   3.428
  178   2HB   PRO  22          HB3       PRO  22  -8.709  -8.698   1.748
  179   1HG   PRO  22          HG2       PRO  22  -8.836 -11.514   2.858
  180   2HG   PRO  22          HG3       PRO  22  -9.656 -10.860   1.401
  181   1HD   PRO  22          HD2       PRO  22  -7.320 -12.210   1.198
  182   2HD   PRO  22          HD3       PRO  22  -7.631 -10.753   0.199
  183    H    GLU  23           H        GLU  23  -6.380 -11.686   3.832
  184    HA   GLU  23           HA       GLU  23  -6.591 -10.987   6.659
  185   1HB   GLU  23          HB2       GLU  23  -5.588 -13.511   5.275
  186   2HB   GLU  23          HB3       GLU  23  -5.942 -13.357   6.991
  187   1HG   GLU  23          HG2       GLU  23  -7.930 -13.211   4.693
  188   2HG   GLU  23          HG3       GLU  23  -7.765 -14.497   5.880
  189    H    GLU  24           H        GLU  24  -4.023 -10.509   4.439
  190    HA   GLU  24           HA       GLU  24  -1.873 -11.073   6.420
  191   1HB   GLU  24          HB2       GLU  24  -1.824 -10.041   3.559
  192   2HB   GLU  24          HB3       GLU  24  -0.396 -10.226   4.577
  193   1HG   GLU  24          HG2       GLU  24  -2.257 -12.512   3.824
  194   2HG   GLU  24          HG3       GLU  24  -0.755 -12.112   2.994
  195    H    THR  25           H        THR  25  -0.212  -9.329   6.730
  196    HA   THR  25           HA       THR  25  -1.518  -6.889   7.745
  197    HB   THR  25           HB       THR  25   0.649  -6.216   8.560
  198    HG1  THR  25           HG1      THR  25   1.616  -8.559   7.277
  199   1HG2  THR  25          HG21      THR  25   1.117  -7.973  10.147
  200   2HG2  THR  25          HG22      THR  25  -0.634  -7.825   9.932
  201   3HG2  THR  25          HG23      THR  25   0.238  -9.169   9.167
  202    H    VAL  26           H        VAL  26  -0.581  -4.746   7.300
  203    HA   VAL  26           HA       VAL  26  -0.664  -3.875   4.642
  204    HB   VAL  26           HB       VAL  26   0.901  -2.676   6.955
  205   1HG1  VAL  26          HG11      VAL  26   1.626  -1.598   4.839
  206   2HG1  VAL  26          HG12      VAL  26  -0.083  -1.334   4.407
  207   3HG1  VAL  26          HG13      VAL  26   0.644  -0.509   5.805
  208   1HG2  VAL  26          HG21      VAL  26  -1.913  -2.156   5.883
  209   2HG2  VAL  26          HG22      VAL  26  -1.503  -2.994   7.399
  210   3HG2  VAL  26          HG23      VAL  26  -1.126  -1.291   7.217
  211    H    LYS  27           H        LYS  27   2.109  -5.351   6.225
  212    HA   LYS  27           HA       LYS  27   4.164  -4.649   4.372
  213   1HB   LYS  27          HB2       LYS  27   3.832  -7.247   5.917
  214   2HB   LYS  27          HB3       LYS  27   5.310  -6.650   5.149
  215   1HG   LYS  27          HG2       LYS  27   5.149  -4.579   6.609
  216   2HG   LYS  27          HG3       LYS  27   3.851  -5.373   7.497
  217   1HD   LYS  27          HD2       LYS  27   6.738  -6.302   7.225
  218   2HD   LYS  27          HD3       LYS  27   5.996  -5.606   8.660
  219   1HE   LYS  27          HE2       LYS  27   5.358  -8.318   7.416
  220   2HE   LYS  27          HE3       LYS  27   6.272  -8.011   8.895
  221   1HZ   LYS  27          HZ1       LYS  27   4.148  -6.917   9.743
  222   2HZ   LYS  27          HZ2       LYS  27   3.376  -7.550   8.470
  223   3HZ   LYS  27          HZ3       LYS  27   4.075  -8.551   9.556
  224    H    ALA  28           H        ALA  28   1.487  -6.978   3.930
  225    HA   ALA  28           HA       ALA  28   2.651  -8.317   1.679
  226   1HB   ALA  28          HB1       ALA  28   0.326  -9.004   1.214
  227   2HB   ALA  28          HB2       ALA  28   0.681  -9.122   2.953
  228   3HB   ALA  28          HB3       ALA  28  -0.286  -7.766   2.330
  229    H    LEU  29           H        LEU  29   0.643  -5.336   1.810
  230    HA   LEU  29           HA       LEU  29   0.801  -4.813  -1.075
  231   1HB   LEU  29          HB2       LEU  29   0.154  -3.086   1.372
  232   2HB   LEU  29          HB3       LEU  29   0.259  -2.415  -0.243
  233    HG   LEU  29           HG       LEU  29  -1.753  -4.521   0.620
  234   1HD1  LEU  29          HD11      LEU  29  -2.093  -2.253   1.618
  235   2HD1  LEU  29          HD12      LEU  29  -2.091  -1.552  -0.010
  236   3HD1  LEU  29          HD13      LEU  29  -3.370  -2.687   0.472
  237   1HD2  LEU  29          HD21      LEU  29  -1.306  -4.716  -1.782
  238   2HD2  LEU  29          HD22      LEU  29  -2.848  -3.877  -1.571
  239   3HD2  LEU  29          HD23      LEU  29  -1.395  -2.952  -1.986
  240    H    LYS  30           H        LYS  30   2.588  -3.732   1.839
  241    HA   LYS  30           HA       LYS  30   4.060  -1.842   0.234
  242   1HB   LYS  30          HB2       LYS  30   3.221  -1.362   2.492
  243   2HB   LYS  30          HB3       LYS  30   4.191  -2.638   3.202
  244   1HG   LYS  30          HG2       LYS  30   5.576  -0.446   1.687
  245   2HG   LYS  30          HG3       LYS  30   4.916  -0.052   3.270
  246   1HD   LYS  30          HD2       LYS  30   6.575  -2.545   3.049
  247   2HD   LYS  30          HD3       LYS  30   7.423  -1.008   2.943
  248   1HE   LYS  30          HE2       LYS  30   5.450  -1.478   5.198
  249   2HE   LYS  30          HE3       LYS  30   7.040  -2.245   5.264
  250   1HZ   LYS  30          HZ1       LYS  30   7.088  -0.090   6.361
  251   2HZ   LYS  30          HZ2       LYS  30   8.080  -0.079   5.062
  252   3HZ   LYS  30          HZ3       LYS  30   6.643   0.701   5.004
  253    H    GLU  31           H        GLU  31   4.960  -5.025   1.373
  254    HA   GLU  31           HA       GLU  31   7.755  -4.804   0.591
  255   1HB   GLU  31          HB2       GLU  31   5.884  -7.200   0.904
  256   2HB   GLU  31          HB3       GLU  31   7.584  -7.327   0.457
  257   1HG   GLU  31          HG2       GLU  31   8.271  -6.222   2.538
  258   2HG   GLU  31          HG3       GLU  31   6.598  -6.082   3.057
  259    H    LYS  32           H        LYS  32   4.720  -5.839  -1.153
  260    HA   LYS  32           HA       LYS  32   6.185  -6.995  -3.272
  261   1HB   LYS  32          HB2       LYS  32   4.132  -7.573  -4.125
  262   2HB   LYS  32          HB3       LYS  32   3.792  -7.384  -2.424
  263   1HG   LYS  32          HG2       LYS  32   2.001  -6.211  -3.184
  264   2HG   LYS  32          HG3       LYS  32   3.156  -4.891  -3.124
  265   1HD   LYS  32          HD2       LYS  32   1.954  -4.787  -5.226
  266   2HD   LYS  32          HD3       LYS  32   3.603  -5.231  -5.597
  267   1HE   LYS  32          HE2       LYS  32   2.959  -7.644  -5.701
  268   2HE   LYS  32          HE3       LYS  32   1.281  -7.213  -5.373
  269   1HZ   LYS  32          HZ1       LYS  32   2.798  -6.169  -7.717
  270   2HZ   LYS  32          HZ2       LYS  32   1.896  -7.539  -7.781
  271   3HZ   LYS  32          HZ3       LYS  32   1.192  -6.096  -7.488
  272    H    ILE  33           H        ILE  33   4.955  -3.657  -3.023
  273    HA   ILE  33           HA       ILE  33   5.244  -3.147  -5.819
  274    HB   ILE  33           HB       ILE  33   4.750  -0.892  -5.428
  275   1HG1  ILE  33          HG12      ILE  33   4.189  -0.296  -2.861
  276   2HG1  ILE  33          HG13      ILE  33   5.572  -1.350  -2.568
  277   1HG2  ILE  33          HG21      ILE  33   2.605  -1.119  -4.344
  278   2HG2  ILE  33          HG22      ILE  33   2.946  -2.521  -5.374
  279   3HG2  ILE  33          HG23      ILE  33   3.080  -2.640  -3.607
  280   1HD1  ILE  33          HD11      ILE  33   6.142   1.088  -2.809
  281   2HD1  ILE  33          HD12      ILE  33   6.970   0.103  -4.025
  282   3HD1  ILE  33          HD13      ILE  33   5.538   1.061  -4.463
  283    H    GLU  34           H        GLU  34   7.609  -3.015  -3.228
  284    HA   GLU  34           HA       GLU  34   9.610  -1.373  -4.440
  285   1HB   GLU  34          HB2       GLU  34   9.686  -2.267  -2.104
  286   2HB   GLU  34          HB3       GLU  34   9.988  -3.883  -2.761
  287   1HG   GLU  34          HG2       GLU  34  12.101  -2.998  -3.813
  288   2HG   GLU  34          HG3       GLU  34  11.798  -1.449  -3.034
  289    H    SER  35           H        SER  35   8.664  -4.778  -5.112
  290    HA   SER  35           HA       SER  35  10.912  -5.383  -6.820
  291   1HB   SER  35          HB2       SER  35   8.111  -6.571  -6.816
  292   2HB   SER  35          HB3       SER  35   9.540  -7.260  -7.604
  293    HG   SER  35           HG       SER  35   9.163  -8.194  -5.538
  294    H    GLU  36           H        GLU  36   8.032  -3.505  -7.371
  295    HA   GLU  36           HA       GLU  36   8.288  -3.654 -10.344
  296   1HB   GLU  36          HB2       GLU  36   6.112  -2.645  -8.489
  297   2HB   GLU  36          HB3       GLU  36   6.080  -2.459 -10.250
  298   1HG   GLU  36          HG2       GLU  36   6.257  -4.928 -10.526
  299   2HG   GLU  36          HG3       GLU  36   6.248  -5.128  -8.774
  300    H    LYS  37           H        LYS  37   8.429  -1.278  -7.679
  301    HA   LYS  37           HA       LYS  37   9.075   0.927  -9.585
  302   1HB   LYS  37          HB2       LYS  37   8.615   0.876  -6.572
  303   2HB   LYS  37          HB3       LYS  37   8.905   2.309  -7.546
  304   1HG   LYS  37          HG2       LYS  37   6.483   0.477  -7.768
  305   2HG   LYS  37          HG3       LYS  37   6.528   2.036  -6.958
  306   1HD   LYS  37          HD2       LYS  37   6.897   1.558  -9.940
  307   2HD   LYS  37          HD3       LYS  37   5.469   2.225  -9.142
  308   1HE   LYS  37          HE2       LYS  37   6.759   4.183  -8.387
  309   2HE   LYS  37          HE3       LYS  37   8.227   3.519  -9.121
  310   1HZ   LYS  37          HZ1       LYS  37   7.084   3.649 -11.295
  311   2HZ   LYS  37          HZ2       LYS  37   5.795   4.388 -10.605
  312   3HZ   LYS  37          HZ3       LYS  37   7.248   5.117 -10.605
  313    H    GLY  38           H        GLY  38  10.702  -1.194  -7.401
  314   1HA   GLY  38          HA2       GLY  38  12.999  -1.569  -7.307
  315   2HA   GLY  38          HA3       GLY  38  13.337   0.015  -7.989
  316    H    LYS  39           H        LYS  39  14.359  -1.431  -5.607
  317    HA   LYS  39           HA       LYS  39  13.934  -0.298  -3.128
  318   1HB   LYS  39          HB2       LYS  39  15.579  -2.078  -3.812
  319   2HB   LYS  39          HB3       LYS  39  16.556  -0.850  -4.598
  320   1HG   LYS  39          HG2       LYS  39  17.622  -1.332  -2.554
  321   2HG   LYS  39          HG3       LYS  39  16.906   0.260  -2.375
  322   1HD   LYS  39          HD2       LYS  39  16.499  -0.893  -0.327
  323   2HD   LYS  39          HD3       LYS  39  14.949  -0.871  -1.177
  324   1HE   LYS  39          HE2       LYS  39  15.483  -3.192  -2.050
  325   2HE   LYS  39          HE3       LYS  39  16.946  -3.184  -1.057
  326   1HZ   LYS  39          HZ1       LYS  39  14.157  -2.954  -0.077
  327   2HZ   LYS  39          HZ2       LYS  39  15.086  -4.288   0.058
  328   3HZ   LYS  39          HZ3       LYS  39  15.488  -2.941   0.906
  329    H    ASP  40           H        ASP  40  15.490   1.264  -5.888
  330    HA   ASP  40           HA       ASP  40  16.607   3.498  -4.480
  331   1HB   ASP  40          HB2       ASP  40  17.322   2.710  -6.716
  332   2HB   ASP  40          HB3       ASP  40  15.776   3.226  -7.397
  333    H    ALA  41           H        ALA  41  13.368   2.988  -5.841
  334    HA   ALA  41           HA       ALA  41  12.645   5.844  -5.396
  335   1HB   ALA  41          HB1       ALA  41  11.233   3.625  -6.922
  336   2HB   ALA  41          HB2       ALA  41  10.756   5.335  -6.866
  337   3HB   ALA  41          HB3       ALA  41  12.287   4.869  -7.632
  338    H    PHE  42           H        PHE  42  11.707   2.561  -4.371
  339    HA   PHE  42           HA       PHE  42  10.038   3.699  -2.172
  340   1HB   PHE  42          HB2       PHE  42   9.156   1.716  -4.289
  341   2HB   PHE  42          HB3       PHE  42   8.391   1.823  -2.715
  342    HD1  PHE  42           HD1      PHE  42   6.978   3.651  -2.038
  343    HD2  PHE  42           HD2      PHE  42   8.869   3.610  -5.904
  344    HE1  PHE  42           HE1      PHE  42   5.547   5.549  -2.757
  345    HE2  PHE  42           HE2      PHE  42   7.450   5.525  -6.620
  346    HZ   PHE  42           HZ       PHE  42   5.798   6.498  -5.039
  347    HA   PRO  43           HA       PRO  43  12.932   0.300  -0.755
  348   1HB   PRO  43          HB2       PRO  43  14.046   1.601   1.378
  349   2HB   PRO  43          HB3       PRO  43  14.687   1.697  -0.288
  350   1HG   PRO  43          HG2       PRO  43  12.848   3.633   1.123
  351   2HG   PRO  43          HG3       PRO  43  14.318   3.995   0.161
  352   1HD   PRO  43          HD2       PRO  43  11.797   4.205  -0.869
  353   2HD   PRO  43          HD3       PRO  43  13.170   3.652  -1.869
  354    H    VAL  44           H        VAL  44  11.948  -1.201   0.495
  355    HA   VAL  44           HA       VAL  44   9.520  -0.900   1.777
  356    HB   VAL  44           HB       VAL  44  10.650  -2.991   1.057
  357   1HG1  VAL  44          HG11      VAL  44  11.934  -3.090   3.804
  358   2HG1  VAL  44          HG12      VAL  44  12.016  -4.299   2.515
  359   3HG1  VAL  44          HG13      VAL  44  12.809  -2.734   2.290
  360   1HG2  VAL  44          HG21      VAL  44   9.597  -4.415   2.816
  361   2HG2  VAL  44          HG22      VAL  44   9.321  -2.956   3.789
  362   3HG2  VAL  44          HG23      VAL  44   8.557  -3.131   2.187
  363    H    ALA  45           H        ALA  45  12.666  -0.729   3.348
  364    HA   ALA  45           HA       ALA  45  11.686  -0.291   6.033
  365   1HB   ALA  45          HB1       ALA  45  13.860  -1.346   5.472
  366   2HB   ALA  45          HB2       ALA  45  14.422   0.198   4.778
  367   3HB   ALA  45          HB3       ALA  45  14.073   0.073   6.517
  368    H    GLY  46           H        GLY  46  11.632   1.817   3.429
  369   1HA   GLY  46          HA2       GLY  46  11.667   4.278   5.122
  370   2HA   GLY  46          HA3       GLY  46  12.551   4.187   3.595
  371    H    GLN  47           H        GLN  47   9.433   2.548   3.891
  372    HA   GLN  47           HA       GLN  47   8.047   4.931   2.765
  373   1HB   GLN  47          HB2       GLN  47   6.951   3.725   1.045
  374   2HB   GLN  47          HB3       GLN  47   8.684   3.481   0.860
  375   1HG   GLN  47          HG2       GLN  47   8.534   1.224   1.736
  376   2HG   GLN  47          HG3       GLN  47   6.877   1.467   2.260
  377   1HE2  GLN  47          HE21      GLN  47   8.729   0.171  -0.305
  378   2HE2  GLN  47          HE22      GLN  47   7.369   0.030  -1.394
  379    H    LYS  48           H        LYS  48   5.830   5.022   2.894
  380    HA   LYS  48           HA       LYS  48   4.475   3.550   5.127
  381   1HB   LYS  48          HB2       LYS  48   5.695   5.547   5.893
  382   2HB   LYS  48          HB3       LYS  48   4.800   6.538   4.739
  383   1HG   LYS  48          HG2       LYS  48   2.676   5.966   5.884
  384   2HG   LYS  48          HG3       LYS  48   3.549   4.928   7.027
  385   1HD   LYS  48          HD2       LYS  48   4.097   7.880   6.599
  386   2HD   LYS  48          HD3       LYS  48   2.950   7.259   7.808
  387   1HE   LYS  48          HE2       LYS  48   4.797   5.979   8.888
  388   2HE   LYS  48          HE3       LYS  48   5.942   6.650   7.720
  389   1HZ   LYS  48          HZ1       LYS  48   5.955   7.916   9.787
  390   2HZ   LYS  48          HZ2       LYS  48   5.416   8.871   8.578
  391   3HZ   LYS  48          HZ3       LYS  48   4.364   8.250   9.665
  392    H    LEU  49           H        LEU  49   2.225   3.666   5.057
  393    HA   LEU  49           HA       LEU  49   0.915   4.473   2.506
  394   1HB   LEU  49          HB2       LEU  49   0.630   1.964   4.203
  395   2HB   LEU  49          HB3       LEU  49  -0.694   2.556   3.211
  396    HG   LEU  49           HG       LEU  49   0.740   2.479   1.209
  397   1HD1  LEU  49          HD11      LEU  49   2.684   1.050   3.063
  398   2HD1  LEU  49          HD12      LEU  49   2.709   0.855   1.295
  399   3HD1  LEU  49          HD13      LEU  49   3.014   2.434   1.991
  400   1HD2  LEU  49          HD21      LEU  49   0.477   0.116   0.844
  401   2HD2  LEU  49          HD22      LEU  49   0.539  -0.221   2.582
  402   3HD2  LEU  49          HD23      LEU  49  -0.853   0.633   1.890
  403    H    ILE  50           H        ILE  50  -1.045   5.424   2.595
  404    HA   ILE  50           HA       ILE  50  -2.545   5.700   5.180
  405    HB   ILE  50           HB       ILE  50  -1.808   7.849   3.161
  406   1HG1  ILE  50          HG12      ILE  50  -0.419   7.691   5.204
  407   2HG1  ILE  50          HG13      ILE  50  -1.279   9.221   5.066
  408   1HG2  ILE  50          HG21      ILE  50  -4.169   8.132   3.176
  409   2HG2  ILE  50          HG22      ILE  50  -4.270   7.863   4.936
  410   3HG2  ILE  50          HG23      ILE  50  -3.531   9.344   4.280
  411   1HD1  ILE  50          HD11      ILE  50  -1.977   6.907   6.895
  412   2HD1  ILE  50          HD12      ILE  50  -1.382   8.504   7.366
  413   3HD1  ILE  50          HD13      ILE  50  -3.022   8.327   6.698
  414    H    TYR  51           H        TYR  51  -4.630   5.083   4.995
  415    HA   TYR  51           HA       TYR  51  -5.745   4.739   2.238
  416   1HB   TYR  51          HB2       TYR  51  -5.725   2.651   3.456
  417   2HB   TYR  51          HB3       TYR  51  -6.575   3.399   4.805
  418    HD1  TYR  51           HD1      TYR  51  -7.228   3.675   1.079
  419    HD2  TYR  51           HD2      TYR  51  -8.641   2.298   4.919
  420    HE1  TYR  51           HE1      TYR  51  -9.449   3.206   0.093
  421    HE2  TYR  51           HE2      TYR  51 -10.873   1.825   3.922
  422    HH   TYR  51           HH       TYR  51 -11.617   2.535   0.499
  423    H    ALA  52           H        ALA  52  -6.167   6.883   1.942
  424    HA   ALA  52           HA       ALA  52  -7.372   8.794   1.903
  425   1HB   ALA  52          HB1       ALA  52  -9.625   6.838   2.519
  426   2HB   ALA  52          HB2       ALA  52  -9.776   8.394   1.675
  427   3HB   ALA  52          HB3       ALA  52  -8.860   7.071   0.934
  428    H    GLY  53           H        GLY  53  -6.232   8.346   4.578
  429   1HA   GLY  53          HA2       GLY  53  -6.484  10.211   6.232
  430   2HA   GLY  53          HA3       GLY  53  -8.192   9.787   6.341
  431    H    LYS  54           H        LYS  54  -6.819   6.816   6.100
  432    HA   LYS  54           HA       LYS  54  -6.669   6.447   9.068
  433   1HB   LYS  54          HB2       LYS  54  -6.895   4.328   6.890
  434   2HB   LYS  54          HB3       LYS  54  -7.024   4.089   8.633
  435   1HG   LYS  54          HG2       LYS  54  -9.097   5.571   8.589
  436   2HG   LYS  54          HG3       LYS  54  -8.985   5.537   6.817
  437   1HD   LYS  54          HD2       LYS  54  -8.964   2.958   7.033
  438   2HD   LYS  54          HD3       LYS  54  -9.457   3.207   8.716
  439   1HE   LYS  54          HE2       LYS  54 -11.425   4.530   7.902
  440   2HE   LYS  54          HE3       LYS  54 -10.917   4.230   6.234
  441   1HZ   LYS  54          HZ1       LYS  54 -11.743   2.153   8.190
  442   2HZ   LYS  54          HZ2       LYS  54 -12.595   2.635   6.883
  443   3HZ   LYS  54          HZ3       LYS  54 -11.187   1.818   6.686
  444    H    ILE  55           H        ILE  55  -4.951   5.507  10.033
  445    HA   ILE  55           HA       ILE  55  -2.404   5.660   8.522
  446    HB   ILE  55           HB       ILE  55  -2.857   5.649  11.527
  447   1HG1  ILE  55          HG12      ILE  55  -2.282   8.002   9.661
  448   2HG1  ILE  55          HG13      ILE  55  -3.846   7.665  10.402
  449   1HG2  ILE  55          HG21      ILE  55  -0.383   6.342   9.861
  450   2HG2  ILE  55          HG22      ILE  55  -0.496   6.366  11.634
  451   3HG2  ILE  55          HG23      ILE  55  -0.599   4.837  10.779
  452   1HD1  ILE  55          HD11      ILE  55  -2.827   7.917  12.664
  453   2HD1  ILE  55          HD12      ILE  55  -1.321   8.461  11.877
  454   3HD1  ILE  55          HD13      ILE  55  -2.814   9.387  11.669
  455    H    LEU  56           H        LEU  56  -2.395   3.784   7.482
  456    HA   LEU  56           HA       LEU  56  -2.938   1.176   8.469
  457   1HB   LEU  56          HB2       LEU  56  -1.626   2.444   6.089
  458   2HB   LEU  56          HB3       LEU  56  -1.169   0.791   6.414
  459    HG   LEU  56           HG       LEU  56  -3.451   0.011   6.287
  460   1HD1  LEU  56          HD11      LEU  56  -4.267   2.908   5.802
  461   2HD1  LEU  56          HD12      LEU  56  -5.318   1.479   5.613
  462   3HD1  LEU  56          HD13      LEU  56  -4.714   1.917   7.206
  463   1HD2  LEU  56          HD21      LEU  56  -3.892   0.473   3.922
  464   2HD2  LEU  56          HD22      LEU  56  -2.851   1.905   3.976
  465   3HD2  LEU  56          HD23      LEU  56  -2.154   0.280   4.187
  466    H    ASN  57           H        ASN  57  -1.691  -0.472   9.229
  467    HA   ASN  57           HA       ASN  57   0.854   0.313  10.580
  468   1HB   ASN  57          HB2       ASN  57  -1.157   0.498  12.009
  469   2HB   ASN  57          HB3       ASN  57  -1.618  -1.143  11.622
  470   1HD2  ASN  57          HD21      ASN  57  -1.247  -2.392  13.498
  471   2HD2  ASN  57          HD22      ASN  57   0.227  -2.253  14.437
  472    H    ASP  58           H        ASP  58   2.507  -1.052  10.415
  473    HA   ASP  58           HA       ASP  58   2.495  -3.271   8.652
  474   1HB   ASP  58          HB2       ASP  58   4.793  -3.520   9.264
  475   2HB   ASP  58          HB3       ASP  58   4.408  -1.810   9.103
  476    H    ASP  59           H        ASP  59   1.583  -3.245  11.884
  477    HA   ASP  59           HA       ASP  59   1.911  -6.199  12.197
  478   1HB   ASP  59          HB2       ASP  59   3.095  -4.626  13.778
  479   2HB   ASP  59          HB3       ASP  59   1.514  -4.112  14.364
  480    H    THR  60           H        THR  60  -0.486  -4.355  11.033
  481    HA   THR  60           HA       THR  60  -2.628  -5.991  12.333
  482    HB   THR  60           HB       THR  60  -2.746  -3.045  11.682
  483    HG1  THR  60           HG1      THR  60  -3.018  -4.432  14.117
  484   1HG2  THR  60          HG21      THR  60  -4.936  -4.899  12.679
  485   2HG2  THR  60          HG22      THR  60  -5.014  -3.118  12.677
  486   3HG2  THR  60          HG23      THR  60  -4.914  -3.991  11.145
  487    H    ALA  61           H        ALA  61  -4.075  -6.899  11.080
  488    HA   ALA  61           HA       ALA  61  -3.404  -7.439   8.385
  489   1HB   ALA  61          HB1       ALA  61  -5.408  -8.853   8.446
  490   2HB   ALA  61          HB2       ALA  61  -4.394  -9.070   9.883
  491   3HB   ALA  61          HB3       ALA  61  -5.885  -8.102   9.992
  492    H    LEU  62           H        LEU  62  -4.348  -6.994   6.458
  493    HA   LEU  62           HA       LEU  62  -5.107  -4.374   5.985
  494   1HB   LEU  62          HB2       LEU  62  -5.228  -6.903   4.345
  495   2HB   LEU  62          HB3       LEU  62  -5.720  -5.356   3.670
  496    HG   LEU  62           HG       LEU  62  -2.997  -5.682   4.978
  497   1HD1  LEU  62          HD11      LEU  62  -3.145  -7.381   3.228
  498   2HD1  LEU  62          HD12      LEU  62  -3.742  -6.167   2.078
  499   3HD1  LEU  62          HD13      LEU  62  -2.083  -6.061   2.716
  500   1HD2  LEU  62          HD21      LEU  62  -3.743  -3.360   4.551
  501   2HD2  LEU  62          HD22      LEU  62  -2.449  -3.798   3.429
  502   3HD2  LEU  62          HD23      LEU  62  -4.124  -3.781   2.868
  503    H    LYS  63           H        LYS  63  -7.355  -7.161   6.149
  504    HA   LYS  63           HA       LYS  63  -9.665  -5.665   5.451
  505   1HB   LYS  63          HB2       LYS  63 -10.928  -7.490   5.960
  506   2HB   LYS  63          HB3       LYS  63  -9.383  -8.189   5.531
  507   1HG   LYS  63          HG2       LYS  63 -10.571  -7.878   8.317
  508   2HG   LYS  63          HG3       LYS  63 -10.362  -9.364   7.383
  509   1HD   LYS  63          HD2       LYS  63  -7.932  -9.234   7.608
  510   2HD   LYS  63          HD3       LYS  63  -8.053  -7.661   8.407
  511   1HE   LYS  63          HE2       LYS  63  -7.666  -9.432  10.052
  512   2HE   LYS  63          HE3       LYS  63  -9.214  -8.623  10.311
  513   1HZ   LYS  63          HZ1       LYS  63 -10.319 -10.517   9.281
  514   2HZ   LYS  63          HZ2       LYS  63  -8.901 -11.258   8.956
  515   3HZ   LYS  63          HZ3       LYS  63  -9.381 -11.048  10.504
  516    H    GLU  64           H        GLU  64  -7.953  -5.434   8.459
  517    HA   GLU  64           HA       GLU  64 -10.212  -4.537  10.077
  518   1HB   GLU  64          HB2       GLU  64  -7.224  -4.054  10.406
  519   2HB   GLU  64          HB3       GLU  64  -8.449  -3.679  11.605
  520   1HG   GLU  64          HG2       GLU  64  -7.853  -6.494  10.590
  521   2HG   GLU  64          HG3       GLU  64  -7.215  -5.791  12.068
  522    H    TYR  65           H        TYR  65  -8.226  -3.033   7.661
  523    HA   TYR  65           HA       TYR  65  -9.068  -0.282   8.392
  524   1HB   TYR  65          HB2       TYR  65  -7.594  -1.047   5.884
  525   2HB   TYR  65          HB3       TYR  65  -7.637   0.506   6.699
  526    HD1  TYR  65           HD1      TYR  65  -5.757  -2.367   6.106
  527    HD2  TYR  65           HD2      TYR  65  -6.601   0.458   9.257
  528    HE1  TYR  65           HE1      TYR  65  -3.753  -3.163   7.376
  529    HE2  TYR  65           HE2      TYR  65  -4.549  -0.273  10.445
  530    HH   TYR  65           HH       TYR  65  -2.434  -2.844   9.181
  531    H    LYS  66           H        LYS  66 -10.389  -2.903   6.809
  532    HA   LYS  66           HA       LYS  66 -11.754  -3.359   5.054
  533   1HB   LYS  66          HB2       LYS  66 -13.971  -2.251   5.295
  534   2HB   LYS  66          HB3       LYS  66 -13.307  -3.031   6.721
  535   1HG   LYS  66          HG2       LYS  66 -12.618  -0.896   7.675
  536   2HG   LYS  66          HG3       LYS  66 -13.208  -0.028   6.247
  537   1HD   LYS  66          HD2       LYS  66 -14.926  -1.688   8.149
  538   2HD   LYS  66          HD3       LYS  66 -14.756   0.073   8.201
  539   1HE   LYS  66          HE2       LYS  66 -15.680   0.226   5.889
  540   2HE   LYS  66          HE3       LYS  66 -15.896  -1.528   5.864
  541   1HZ   LYS  66          HZ1       LYS  66 -17.426  -1.304   7.749
  542   2HZ   LYS  66          HZ2       LYS  66 -17.233   0.320   7.768
  543   3HZ   LYS  66          HZ3       LYS  66 -17.946  -0.402   6.493
  544    H    ILE  67           H        ILE  67  -9.858  -2.435   3.824
  545    HA   ILE  67           HA       ILE  67 -10.149  -0.104   2.201
  546    HB   ILE  67           HB       ILE  67  -8.480  -2.570   1.674
  547   1HG1  ILE  67          HG12      ILE  67  -7.988  -0.127   3.399
  548   2HG1  ILE  67          HG13      ILE  67  -7.948  -1.835   3.850
  549   1HG2  ILE  67          HG21      ILE  67  -8.654  -1.087  -0.319
  550   2HG2  ILE  67          HG22      ILE  67  -8.188   0.313   0.682
  551   3HG2  ILE  67          HG23      ILE  67  -7.053  -1.012   0.368
  552   1HD1  ILE  67          HD11      ILE  67  -5.925  -2.112   2.379
  553   2HD1  ILE  67          HD12      ILE  67  -5.898  -0.330   2.227
  554   3HD1  ILE  67          HD13      ILE  67  -5.715  -1.087   3.818
  555    H    ASP  68           H        ASP  68 -10.680   0.091  -0.015
  556    HA   ASP  68           HA       ASP  68 -12.499  -1.981  -1.173
  557   1HB   ASP  68          HB2       ASP  68 -13.906  -0.399  -0.058
  558   2HB   ASP  68          HB3       ASP  68 -12.983   0.970  -0.685
  559    H    GLU  69           H        GLU  69 -12.385  -2.312  -3.283
  560    HA   GLU  69           HA       GLU  69 -10.071  -1.512  -4.719
  561   1HB   GLU  69          HB2       GLU  69 -10.929  -2.933  -6.490
  562   2HB   GLU  69          HB3       GLU  69 -11.138  -3.709  -4.922
  563   1HG   GLU  69          HG2       GLU  69 -13.536  -3.074  -4.903
  564   2HG   GLU  69          HG3       GLU  69 -13.335  -2.253  -6.448
  565    H    LYS  70           H        LYS  70 -12.930   0.280  -4.447
  566    HA   LYS  70           HA       LYS  70 -12.527   1.683  -7.072
  567   1HB   LYS  70          HB2       LYS  70 -14.920   1.926  -5.214
  568   2HB   LYS  70          HB3       LYS  70 -14.779   2.496  -6.868
  569   1HG   LYS  70          HG2       LYS  70 -14.927  -0.415  -5.969
  570   2HG   LYS  70          HG3       LYS  70 -16.217   0.538  -6.695
  571   1HD   LYS  70          HD2       LYS  70 -14.870   0.776  -8.796
  572   2HD   LYS  70          HD3       LYS  70 -13.590  -0.198  -8.065
  573   1HE   LYS  70          HE2       LYS  70 -14.817  -1.654  -9.479
  574   2HE   LYS  70          HE3       LYS  70 -15.188  -2.103  -7.816
  575   1HZ   LYS  70          HZ1       LYS  70 -17.184  -2.015  -9.208
  576   2HZ   LYS  70          HZ2       LYS  70 -17.298  -0.890  -8.036
  577   3HZ   LYS  70          HZ3       LYS  70 -16.932  -0.444  -9.567
  578    H    ASN  71           H        ASN  71 -11.803   1.928  -3.829
  579    HA   ASN  71           HA       ASN  71 -11.395   4.899  -3.898
  580   1HB   ASN  71          HB2       ASN  71 -11.533   2.836  -1.659
  581   2HB   ASN  71          HB3       ASN  71 -10.863   4.451  -1.416
  582   1HD2  ASN  71          HD21      ASN  71 -13.902   2.736  -2.308
  583   2HD2  ASN  71          HD22      ASN  71 -14.904   4.096  -1.795
  584    H    PHE  72           H        PHE  72  -9.187   5.324  -2.529
  585    HA   PHE  72           HA       PHE  72  -7.081   3.497  -3.497
  586   1HB   PHE  72          HB2       PHE  72  -5.729   5.341  -4.385
  587   2HB   PHE  72          HB3       PHE  72  -7.214   5.071  -5.263
  588    HD1  PHE  72           HD1      PHE  72  -8.277   6.940  -6.059
  589    HD2  PHE  72           HD2      PHE  72  -5.999   7.274  -2.408
  590    HE1  PHE  72           HE1      PHE  72  -8.714   9.371  -6.006
  591    HE2  PHE  72           HE2      PHE  72  -6.498   9.694  -2.321
  592    HZ   PHE  72           HZ       PHE  72  -7.852  10.758  -4.118
  593    H    VAL  73           H        VAL  73  -5.015   3.866  -2.756
  594    HA   VAL  73           HA       VAL  73  -4.753   4.792   0.076
  595    HB   VAL  73           HB       VAL  73  -3.668   2.373  -1.403
  596   1HG1  VAL  73          HG11      VAL  73  -2.347   1.772   0.564
  597   2HG1  VAL  73          HG12      VAL  73  -1.748   3.271  -0.136
  598   3HG1  VAL  73          HG13      VAL  73  -2.745   3.314   1.342
  599   1HG2  VAL  73          HG21      VAL  73  -4.619   1.097   0.459
  600   2HG2  VAL  73          HG22      VAL  73  -5.156   2.594   1.228
  601   3HG2  VAL  73          HG23      VAL  73  -5.867   2.077  -0.321
  602    H    VAL  74           H        VAL  74  -2.898   6.008   0.465
  603    HA   VAL  74           HA       VAL  74  -1.324   6.851  -1.939
  604    HB   VAL  74           HB       VAL  74  -1.490   8.324   0.703
  605   1HG1  VAL  74          HG11      VAL  74   0.529   8.808  -0.661
  606   2HG1  VAL  74          HG12      VAL  74  -0.493   9.101  -2.084
  607   3HG1  VAL  74          HG13      VAL  74  -0.577  10.186  -0.678
  608   1HG2  VAL  74          HG21      VAL  74  -3.727   8.357  -0.320
  609   2HG2  VAL  74          HG22      VAL  74  -2.952   9.932  -0.513
  610   3HG2  VAL  74          HG23      VAL  74  -3.024   8.809  -1.887
  611    H    VAL  75           H        VAL  75   0.692   6.204  -2.123
  612    HA   VAL  75           HA       VAL  75   2.182   5.062   0.206
  613    HB   VAL  75           HB       VAL  75   3.763   4.188  -1.537
  614   1HG1  VAL  75          HG11      VAL  75   2.328   2.257  -2.140
  615   2HG1  VAL  75          HG12      VAL  75   2.220   2.714  -0.443
  616   3HG1  VAL  75          HG13      VAL  75   0.903   3.153  -1.562
  617   1HG2  VAL  75          HG21      VAL  75   3.025   3.820  -3.812
  618   2HG2  VAL  75          HG22      VAL  75   1.506   4.685  -3.522
  619   3HG2  VAL  75          HG23      VAL  75   3.062   5.554  -3.504
  620    H    MET  76           H        MET  76   3.830   6.116   1.047
  621    HA   MET  76           HA       MET  76   5.135   8.354  -0.448
  622   1HB   MET  76          HB2       MET  76   4.864   9.850   1.448
  623   2HB   MET  76          HB3       MET  76   3.305   9.302   0.848
  624   1HG   MET  76          HG2       MET  76   3.395   7.517   2.730
  625   2HG   MET  76          HG3       MET  76   4.753   8.439   3.369
  626   1HE   MET  76          HE1       MET  76   0.937   8.093   2.859
  627   2HE   MET  76          HE2       MET  76   0.300   9.711   3.235
  628   3HE   MET  76          HE3       MET  76   1.215   9.449   1.741
  629    H    VAL  77           H        VAL  77   7.156   9.130   0.607
  630    HA   VAL  77           HA       VAL  77   8.706   6.780   1.625
  631    HB   VAL  77           HB       VAL  77   9.263   8.432  -0.875
  632   1HG1  VAL  77          HG11      VAL  77  11.064   6.778  -1.321
  633   2HG1  VAL  77          HG12      VAL  77  11.389   7.740   0.115
  634   3HG1  VAL  77          HG13      VAL  77  10.799   6.067   0.283
  635   1HG2  VAL  77          HG21      VAL  77   8.404   5.523  -0.571
  636   2HG2  VAL  77          HG22      VAL  77   7.455   6.839  -1.302
  637   3HG2  VAL  77          HG23      VAL  77   8.921   6.287  -2.087
  638    H    THR  78           H        THR  78  10.606   7.195   2.664
  639    HA   THR  78           HA       THR  78  11.600   9.955   3.012
  640    HB   THR  78           HB       THR  78  11.902   9.516   5.476
  641    HG1  THR  78           HG1      THR  78  10.486   8.068   6.441
  642   1HG2  THR  78          HG21      THR  78   8.998   9.718   4.577
  643   2HG2  THR  78          HG22      THR  78   9.687  10.280   6.116
  644   3HG2  THR  78          HG23      THR  78  10.160  11.063   4.600
  645    H    LYS  79           H        LYS  79  13.681   9.983   2.712
  646    HA   LYS  79           HA       LYS  79  15.425   7.609   3.213
  647   1HB   LYS  79          HB2       LYS  79  15.037   9.315   0.730
  648   2HB   LYS  79          HB3       LYS  79  16.521   8.385   0.997
  649   1HG   LYS  79          HG2       LYS  79  15.138   6.308   1.213
  650   2HG   LYS  79          HG3       LYS  79  13.695   7.240   0.780
  651   1HD   LYS  79          HD2       LYS  79  16.196   7.037  -0.931
  652   2HD   LYS  79          HD3       LYS  79  14.789   5.977  -1.115
  653   1HE   LYS  79          HE2       LYS  79  13.356   7.854  -1.700
  654   2HE   LYS  79          HE3       LYS  79  14.656   9.007  -1.379
  655   1HZ   LYS  79          HZ1       LYS  79  14.775   6.926  -3.509
  656   2HZ   LYS  79          HZ2       LYS  79  14.432   8.507  -3.761
  657   3HZ   LYS  79          HZ3       LYS  79  15.906   8.066  -3.219
  658    HA   PRO  80           HA       PRO  80  18.034  10.483   5.231
  659   1HB   PRO  80          HB2       PRO  80  20.580   9.513   4.829
  660   2HB   PRO  80          HB3       PRO  80  19.358   8.718   5.865
  661   1HG   PRO  80          HG2       PRO  80  20.047   8.086   2.979
  662   2HG   PRO  80          HG3       PRO  80  19.875   6.946   4.353
  663   1HD   PRO  80          HD2       PRO  80  17.849   7.367   2.599
  664   2HD   PRO  80          HD3       PRO  80  17.518   7.145   4.341
  665    H    LYS  81           H        LYS  81  19.040  12.410   4.943
  666    HA   LYS  81           HA       LYS  81  19.335  13.575   2.318
  667   1HB   LYS  81          HB2       LYS  81  18.661  14.752   4.429
  668   2HB   LYS  81          HB3       LYS  81  20.323  14.600   5.019
  669   1HG   LYS  81          HG2       LYS  81  21.126  15.980   3.134
  670   2HG   LYS  81          HG3       LYS  81  19.484  16.052   2.465
  671   1HD   LYS  81          HD2       LYS  81  18.711  17.192   4.542
  672   2HD   LYS  81          HD3       LYS  81  20.361  17.177   5.173
  673   1HE   LYS  81          HE2       LYS  81  19.472  18.542   2.584
  674   2HE   LYS  81          HE3       LYS  81  19.628  19.355   4.143
  675   1HZ   LYS  81          HZ1       LYS  81  22.002  18.789   4.136
  676   2HZ   LYS  81          HZ2       LYS  81  21.866  18.071   2.673
  677   3HZ   LYS  81          HZ3       LYS  81  21.619  19.673   2.822
  678    H    ALA  82           H        ALA  82  21.631  12.034   4.479
  679    HA   ALA  82           HA       ALA  82  24.053  12.940   3.220
  680   1HB   ALA  82          HB1       ALA  82  23.475  10.506   4.963
  681   2HB   ALA  82          HB2       ALA  82  25.085  11.134   4.550
  682   3HB   ALA  82          HB3       ALA  82  23.975  12.119   5.525
  683    H    VAL  83           H        VAL  83  24.105  12.674   1.048
  684    HA   VAL  83           HA       VAL  83  24.552   9.911   0.052
  685    HB   VAL  83           HB       VAL  83  22.218  10.481  -0.474
  686   1HG1  VAL  83          HG11      VAL  83  22.420  12.933  -0.809
  687   2HG1  VAL  83          HG12      VAL  83  23.313  12.642  -2.321
  688   3HG1  VAL  83          HG13      VAL  83  21.629  12.118  -2.163
  689   1HG2  VAL  83          HG21      VAL  83  23.939  10.278  -2.972
  690   2HG2  VAL  83          HG22      VAL  83  23.503   8.926  -1.901
  691   3HG2  VAL  83          HG23      VAL  83  22.244   9.794  -2.790
  692    H    SER  84           H        SER  84  25.060  13.389  -0.427
  693    HA   SER  84           HA       SER  84  27.675  12.792  -1.707
  694   1HB   SER  84          HB2       SER  84  27.408  14.810  -3.095
  695   2HB   SER  84          HB3       SER  84  26.223  13.551  -3.476
  696    HG   SER  84           HG       SER  84  25.270  15.641  -3.343
  697    H    THR  85           H        THR  85  29.348  14.232  -1.275
  698    HA   THR  85           HA       THR  85  29.057  16.175   0.969
  699    HB   THR  85           HB       THR  85  31.129  13.946   0.935
  700    HG1  THR  85           HG1      THR  85  29.954  13.117   2.657
  701   1HG2  THR  85          HG21      THR  85  30.417  16.052   3.033
  702   2HG2  THR  85          HG22      THR  85  31.564  14.713   3.266
  703   3HG2  THR  85          HG23      THR  85  31.921  15.980   2.089
  Start of MODEL   11
    1   1H    GLY   1           H1       GLY   1  -6.868 -15.522   2.105
    2   2H    GLY   1           H2       GLY   1  -6.248 -16.721   3.014
    3   3H    GLY   1           H3       GLY   1  -7.803 -16.822   2.503
    4   1HA   GLY   1          HA2       GLY   1  -5.457 -16.809   0.712
    5   2HA   GLY   1          HA3       GLY   1  -6.286 -18.281   1.245
    6    H    SER   2           H        SER   2  -6.879 -15.161  -0.372
    7    HA   SER   2           HA       SER   2  -8.499 -16.416  -2.484
    8   1HB   SER   2          HB2       SER   2 -10.480 -14.977  -2.060
    9   2HB   SER   2          HB3       SER   2 -10.203 -16.158  -0.773
   10    HG   SER   2           HG       SER   2 -10.658 -14.069   0.060
   11    H    HIS   3           H        HIS   3  -6.847 -13.633  -1.176
   12    HA   HIS   3           HA       HIS   3  -6.163 -11.653  -1.927
   13   1HB   HIS   3          HB2       HIS   3  -6.128 -13.102  -4.543
   14   2HB   HIS   3          HB3       HIS   3  -5.814 -11.378  -4.467
   15    HD1  HIS   3           HD1      HIS   3  -3.259 -11.489  -5.030
   16    HD2  HIS   3           HD2      HIS   3  -4.465 -13.826  -1.730
   17    HE1  HIS   3           HE1      HIS   3  -1.127 -12.229  -3.849
   18    H    MET   4           H        MET   4  -6.671  -9.640  -2.454
   19    HA   MET   4           HA       MET   4  -9.067  -9.035  -4.055
   20   1HB   MET   4          HB2       MET   4  -9.999  -7.476  -2.501
   21   2HB   MET   4          HB3       MET   4  -9.863  -9.024  -1.678
   22   1HG   MET   4          HG2       MET   4  -7.769  -8.201  -0.561
   23   2HG   MET   4          HG3       MET   4  -7.959  -6.657  -1.399
   24   1HE   MET   4          HE1       MET   4  -8.750  -5.385   2.093
   25   2HE   MET   4          HE2       MET   4  -7.426  -6.365   1.412
   26   3HE   MET   4          HE3       MET   4  -8.061  -4.973   0.506
   27    H    GLN   5           H        GLN   5  -9.036  -6.764  -4.805
   28    HA   GLN   5           HA       GLN   5  -6.225  -5.949  -5.233
   29   1HB   GLN   5          HB2       GLN   5  -8.619  -4.942  -6.765
   30   2HB   GLN   5          HB3       GLN   5  -6.893  -4.849  -7.168
   31   1HG   GLN   5          HG2       GLN   5  -6.868  -7.363  -7.370
   32   2HG   GLN   5          HG3       GLN   5  -8.620  -7.357  -7.158
   33   1HE2  GLN   5          HE21      GLN   5  -5.965  -6.312  -9.333
   34   2HE2  GLN   5          HE22      GLN   5  -7.012  -6.098 -10.729
   35    H    VAL   6           H        VAL   6  -5.487  -3.787  -5.156
   36    HA   VAL   6           HA       VAL   6  -7.236  -1.732  -3.921
   37    HB   VAL   6           HB       VAL   6  -4.438  -2.280  -2.866
   38   1HG1  VAL   6          HG11      VAL   6  -5.180  -0.744  -1.030
   39   2HG1  VAL   6          HG12      VAL   6  -5.191   0.071  -2.589
   40   3HG1  VAL   6          HG13      VAL   6  -6.715  -0.486  -1.888
   41   1HG2  VAL   6          HG21      VAL   6  -5.871  -4.127  -2.051
   42   2HG2  VAL   6          HG22      VAL   6  -5.522  -3.013  -0.733
   43   3HG2  VAL   6          HG23      VAL   6  -7.107  -2.957  -1.522
   44    H    THR   7           H        THR   7  -6.587   0.382  -4.446
   45    HA   THR   7           HA       THR   7  -4.868   0.615  -6.892
   46    HB   THR   7           HB       THR   7  -7.237   2.285  -5.966
   47    HG1  THR   7           HG1      THR   7  -7.914   0.332  -6.689
   48   1HG2  THR   7          HG21      THR   7  -5.790   3.682  -7.287
   49   2HG2  THR   7          HG22      THR   7  -5.562   2.408  -8.507
   50   3HG2  THR   7          HG23      THR   7  -7.147   3.191  -8.304
   51    H    LEU   8           H        LEU   8  -3.030   1.816  -6.628
   52    HA   LEU   8           HA       LEU   8  -2.715   3.307  -4.039
   53   1HB   LEU   8          HB2       LEU   8  -0.472   2.003  -5.574
   54   2HB   LEU   8          HB3       LEU   8  -0.520   2.536  -3.904
   55    HG   LEU   8           HG       LEU   8  -1.687   0.045  -5.183
   56   1HD1  LEU   8          HD11      LEU   8   0.676   0.111  -4.496
   57   2HD1  LEU   8          HD12      LEU   8   0.225   0.565  -2.848
   58   3HD1  LEU   8          HD13      LEU   8  -0.232  -1.031  -3.484
   59   1HD2  LEU   8          HD21      LEU   8  -2.542  -0.584  -2.921
   60   2HD2  LEU   8          HD22      LEU   8  -2.084   1.026  -2.301
   61   3HD2  LEU   8          HD23      LEU   8  -3.354   0.866  -3.515
   62    H    LYS   9           H        LYS   9  -2.215   5.418  -4.226
   63    HA   LYS   9           HA       LYS   9  -0.740   6.329  -6.640
   64   1HB   LYS   9          HB2       LYS   9  -1.739   8.442  -6.604
   65   2HB   LYS   9          HB3       LYS   9  -3.046   7.272  -6.507
   66   1HG   LYS   9          HG2       LYS   9  -3.119   7.598  -4.026
   67   2HG   LYS   9          HG3       LYS   9  -1.920   8.907  -4.226
   68   1HD   LYS   9          HD2       LYS   9  -4.698   8.813  -5.478
   69   2HD   LYS   9          HD3       LYS   9  -4.242   9.753  -4.050
   70   1HE   LYS   9          HE2       LYS   9  -2.601  11.033  -5.423
   71   2HE   LYS   9          HE3       LYS   9  -3.094  10.114  -6.854
   72   1HZ   LYS   9          HZ1       LYS   9  -4.884  11.875  -5.266
   73   2HZ   LYS   9          HZ2       LYS   9  -4.260  12.236  -6.728
   74   3HZ   LYS   9          HZ3       LYS   9  -5.339  11.022  -6.584
   75    H    THR  10           H        THR  10   0.534   8.438  -6.154
   76    HA   THR  10           HA       THR  10   2.112   8.034  -3.630
   77    HB   THR  10           HB       THR  10   4.145   8.063  -4.952
   78    HG1  THR  10           HG1      THR  10   3.831   7.903  -7.296
   79   1HG2  THR  10          HG21      THR  10   3.012   5.835  -4.689
   80   2HG2  THR  10          HG22      THR  10   2.262   6.079  -6.287
   81   3HG2  THR  10          HG23      THR  10   4.022   5.961  -6.139
   82    H    LEU  11           H        LEU  11   3.722   9.730  -3.209
   83    HA   LEU  11           HA       LEU  11   2.896  12.456  -3.567
   84   1HB   LEU  11          HB2       LEU  11   5.451  11.062  -2.718
   85   2HB   LEU  11          HB3       LEU  11   5.465  12.789  -3.052
   86    HG   LEU  11           HG       LEU  11   3.787  13.235  -1.358
   87   1HD1  LEU  11          HD11      LEU  11   2.460  11.178  -1.316
   88   2HD1  LEU  11          HD12      LEU  11   3.869  10.251  -0.750
   89   3HD1  LEU  11          HD13      LEU  11   3.125  11.486   0.286
   90   1HD2  LEU  11          HD21      LEU  11   6.055  11.485  -0.313
   91   2HD2  LEU  11          HD22      LEU  11   6.178  13.205  -0.747
   92   3HD2  LEU  11          HD23      LEU  11   5.162  12.712   0.615
   93    H    GLN  12           H        GLN  12   4.647  10.294  -5.687
   94    HA   GLN  12           HA       GLN  12   5.537  12.391  -7.538
   95   1HB   GLN  12          HB2       GLN  12   5.476   9.368  -7.907
   96   2HB   GLN  12          HB3       GLN  12   6.336  10.536  -8.902
   97   1HG   GLN  12          HG2       GLN  12   6.939   9.817  -6.007
   98   2HG   GLN  12          HG3       GLN  12   7.899   9.412  -7.419
   99   1HE2  GLN  12          HE21      GLN  12   8.135  11.327  -4.822
  100   2HE2  GLN  12          HE22      GLN  12   8.917  12.724  -5.546
  101    H    GLN  13           H        GLN  13   2.523  11.264  -6.845
  102    HA   GLN  13           HA       GLN  13   0.507  11.448  -7.808
  103   1HB   GLN  13          HB2       GLN  13   1.993  13.527  -9.432
  104   2HB   GLN  13          HB3       GLN  13   0.238  13.379  -9.387
  105   1HG   GLN  13          HG2       GLN  13   0.045  14.223  -7.264
  106   2HG   GLN  13          HG3       GLN  13   1.547  13.522  -6.695
  107   1HE2  GLN  13          HE21      GLN  13   3.387  14.817  -6.579
  108   2HE2  GLN  13          HE22      GLN  13   3.432  16.455  -7.231
  109    H    GLN  14           H        GLN  14   1.277   9.139  -8.499
  110    HA   GLN  14           HA       GLN  14   0.441   8.644 -11.278
  111   1HB   GLN  14          HB2       GLN  14   2.882   8.591 -11.364
  112   2HB   GLN  14          HB3       GLN  14   2.975   7.733  -9.810
  113   1HG   GLN  14          HG2       GLN  14   1.936   5.783 -10.731
  114   2HG   GLN  14          HG3       GLN  14   1.730   6.567 -12.311
  115   1HE2  GLN  14          HE21      GLN  14   4.011   7.426 -13.241
  116   2HE2  GLN  14          HE22      GLN  14   5.325   6.279 -13.038
  117    H    THR  15           H        THR  15  -0.906   6.741 -11.264
  118    HA   THR  15           HA       THR  15  -1.239   5.416  -8.628
  119    HB   THR  15           HB       THR  15  -3.533   5.813 -10.516
  120    HG1  THR  15           HG1      THR  15  -2.868   7.881 -10.032
  121   1HG2  THR  15          HG21      THR  15  -3.853   4.195  -8.706
  122   2HG2  THR  15          HG22      THR  15  -3.357   5.401  -7.521
  123   3HG2  THR  15          HG23      THR  15  -4.852   5.648  -8.433
  124    H    PHE  16           H        PHE  16  -1.560   3.209  -8.564
  125    HA   PHE  16           HA       PHE  16  -1.683   1.653 -11.085
  126   1HB   PHE  16          HB2       PHE  16   0.283   0.331 -10.464
  127   2HB   PHE  16          HB3       PHE  16   0.671   2.005 -10.778
  128    HD1  PHE  16           HD1      PHE  16   1.097   3.602  -8.803
  129    HD2  PHE  16           HD2      PHE  16   0.959  -0.720  -8.364
  130    HE1  PHE  16           HE1      PHE  16   2.201   3.765  -6.596
  131    HE2  PHE  16           HE2      PHE  16   2.084  -0.508  -6.210
  132    HZ   PHE  16           HZ       PHE  16   2.650   1.705  -5.268
  133    H    LYS  17           H        LYS  17  -1.682  -0.764 -10.499
  134    HA   LYS  17           HA       LYS  17  -3.917  -1.150  -8.551
  135   1HB   LYS  17          HB2       LYS  17  -3.515  -2.426 -11.305
  136   2HB   LYS  17          HB3       LYS  17  -4.938  -2.571 -10.290
  137   1HG   LYS  17          HG2       LYS  17  -3.961   0.004 -11.629
  138   2HG   LYS  17          HG3       LYS  17  -5.186  -1.064 -12.283
  139   1HD   LYS  17          HD2       LYS  17  -5.449   0.291  -9.577
  140   2HD   LYS  17          HD3       LYS  17  -6.030   0.993 -11.098
  141   1HE   LYS  17          HE2       LYS  17  -7.357  -1.153 -11.481
  142   2HE   LYS  17          HE3       LYS  17  -6.944  -1.627  -9.827
  143   1HZ   LYS  17          HZ1       LYS  17  -8.463   0.811 -10.590
  144   2HZ   LYS  17          HZ2       LYS  17  -9.091  -0.526  -9.890
  145   3HZ   LYS  17          HZ3       LYS  17  -8.042   0.411  -9.058
  146    H    ILE  18           H        ILE  18  -3.546  -2.598  -7.061
  147    HA   ILE  18           HA       ILE  18  -1.475  -4.733  -7.436
  148    HB   ILE  18           HB       ILE  18  -2.092  -2.865  -5.098
  149   1HG1  ILE  18          HG12      ILE  18  -0.842  -1.674  -6.734
  150   2HG1  ILE  18          HG13      ILE  18   0.235  -2.091  -5.418
  151   1HG2  ILE  18          HG21      ILE  18   0.025  -3.892  -4.081
  152   2HG2  ILE  18          HG22      ILE  18  -1.461  -4.856  -4.013
  153   3HG2  ILE  18          HG23      ILE  18  -0.217  -5.232  -5.217
  154   1HD1  ILE  18          HD11      ILE  18   0.242  -3.182  -8.222
  155   2HD1  ILE  18          HD12      ILE  18   1.582  -2.537  -7.269
  156   3HD1  ILE  18          HD13      ILE  18   0.936  -4.127  -6.904
  157    H    ASP  19           H        ASP  19  -1.742  -6.623  -5.988
  158    HA   ASP  19           HA       ASP  19  -4.356  -6.916  -4.734
  159   1HB   ASP  19          HB2       ASP  19  -4.939  -8.975  -5.706
  160   2HB   ASP  19          HB3       ASP  19  -4.707  -7.809  -7.009
  161    H    ILE  20           H        ILE  20  -4.196  -7.964  -2.842
  162    HA   ILE  20           HA       ILE  20  -2.151  -9.939  -2.281
  163    HB   ILE  20           HB       ILE  20  -1.337  -8.989  -0.296
  164   1HG1  ILE  20          HG12      ILE  20  -3.078  -7.820   0.718
  165   2HG1  ILE  20          HG13      ILE  20  -1.762  -6.691   0.504
  166   1HG2  ILE  20          HG21      ILE  20  -0.981  -6.828  -2.407
  167   2HG2  ILE  20          HG22      ILE  20   0.102  -7.158  -1.033
  168   3HG2  ILE  20          HG23      ILE  20  -0.079  -8.346  -2.301
  169   1HD1  ILE  20          HD11      ILE  20  -4.365  -6.810  -1.076
  170   2HD1  ILE  20          HD12      ILE  20  -3.834  -5.558   0.036
  171   3HD1  ILE  20          HD13      ILE  20  -2.998  -5.753  -1.518
  172    H    ASP  21           H        ASP  21  -2.671 -10.905   0.058
  173    HA   ASP  21           HA       ASP  21  -5.403 -11.696  -0.103
  174   1HB   ASP  21          HB2       ASP  21  -3.331 -13.005   0.738
  175   2HB   ASP  21          HB3       ASP  21  -3.719 -12.275   2.303
  176    HA   PRO  22           HA       PRO  22  -7.535  -8.566   2.206
  177   1HB   PRO  22          HB2       PRO  22  -9.232 -10.824   3.271
  178   2HB   PRO  22          HB3       PRO  22  -9.750  -9.254   2.583
  179   1HG   PRO  22          HG2       PRO  22  -9.857 -11.518   1.095
  180   2HG   PRO  22          HG3       PRO  22  -9.277  -9.988   0.371
  181   1HD   PRO  22          HD2       PRO  22  -7.667 -12.327   1.365
  182   2HD   PRO  22          HD3       PRO  22  -7.442 -11.318  -0.096
  183    H    GLU  23           H        GLU  23  -6.456 -11.411   3.981
  184    HA   GLU  23           HA       GLU  23  -6.476  -9.897   6.544
  185   1HB   GLU  23          HB2       GLU  23  -6.694 -12.006   7.685
  186   2HB   GLU  23          HB3       GLU  23  -7.988 -11.795   6.511
  187   1HG   GLU  23          HG2       GLU  23  -6.826 -13.292   4.925
  188   2HG   GLU  23          HG3       GLU  23  -5.495 -13.501   6.068
  189    H    GLU  24           H        GLU  24  -4.253 -10.356   4.271
  190    HA   GLU  24           HA       GLU  24  -1.965 -10.963   6.066
  191   1HB   GLU  24          HB2       GLU  24  -2.256 -10.032   3.191
  192   2HB   GLU  24          HB3       GLU  24  -0.728  -9.856   4.041
  193   1HG   GLU  24          HG2       GLU  24  -2.097 -12.556   3.937
  194   2HG   GLU  24          HG3       GLU  24  -1.122 -11.966   2.593
  195    H    THR  25           H        THR  25  -0.344  -9.262   6.500
  196    HA   THR  25           HA       THR  25  -1.603  -6.730   7.349
  197    HB   THR  25           HB       THR  25   0.504  -6.205   8.394
  198    HG1  THR  25           HG1      THR  25   2.191  -7.633   8.314
  199   1HG2  THR  25          HG21      THR  25  -1.102  -7.661   9.635
  200   2HG2  THR  25          HG22      THR  25  -0.230  -9.088   9.036
  201   3HG2  THR  25          HG23      THR  25   0.589  -7.922  10.095
  202    H    VAL  26           H        VAL  26  -0.502  -4.674   6.952
  203    HA   VAL  26           HA       VAL  26  -0.252  -4.033   4.214
  204    HB   VAL  26           HB       VAL  26   1.003  -2.555   6.547
  205   1HG1  VAL  26          HG11      VAL  26   1.965  -1.710   4.453
  206   2HG1  VAL  26          HG12      VAL  26   0.341  -1.566   3.740
  207   3HG1  VAL  26          HG13      VAL  26   0.838  -0.545   5.113
  208   1HG2  VAL  26          HG21      VAL  26  -1.436  -2.897   6.753
  209   2HG2  VAL  26          HG22      VAL  26  -1.066  -1.215   6.451
  210   3HG2  VAL  26          HG23      VAL  26  -1.685  -2.225   5.126
  211    H    LYS  27           H        LYS  27   2.243  -5.380   6.295
  212    HA   LYS  27           HA       LYS  27   4.598  -4.986   4.813
  213   1HB   LYS  27          HB2       LYS  27   4.259  -6.195   7.013
  214   2HB   LYS  27          HB3       LYS  27   3.703  -7.595   6.074
  215   1HG   LYS  27          HG2       LYS  27   5.900  -7.672   4.911
  216   2HG   LYS  27          HG3       LYS  27   6.416  -6.224   5.787
  217   1HD   LYS  27          HD2       LYS  27   7.398  -8.128   6.864
  218   2HD   LYS  27          HD3       LYS  27   6.151  -7.469   7.941
  219   1HE   LYS  27          HE2       LYS  27   4.566  -9.229   7.184
  220   2HE   LYS  27          HE3       LYS  27   5.784  -9.853   6.063
  221   1HZ   LYS  27          HZ1       LYS  27   6.061  -9.802   9.023
  222   2HZ   LYS  27          HZ2       LYS  27   5.738 -11.127   8.129
  223   3HZ   LYS  27          HZ3       LYS  27   7.183 -10.385   7.987
  224    H    ALA  28           H        ALA  28   1.904  -7.273   4.045
  225    HA   ALA  28           HA       ALA  28   3.229  -8.458   1.772
  226   1HB   ALA  28          HB1       ALA  28   0.984  -9.293   1.231
  227   2HB   ALA  28          HB2       ALA  28   1.324  -9.484   2.963
  228   3HB   ALA  28          HB3       ALA  28   0.256  -8.177   2.406
  229    H    LEU  29           H        LEU  29   0.939  -5.710   2.025
  230    HA   LEU  29           HA       LEU  29   0.797  -5.009  -0.761
  231   1HB   LEU  29          HB2       LEU  29  -0.041  -3.928   1.885
  232   2HB   LEU  29          HB3       LEU  29   0.613  -2.653   0.896
  233    HG   LEU  29           HG       LEU  29  -1.793  -4.370   0.338
  234   1HD1  LEU  29          HD11      LEU  29  -1.401  -1.359   0.636
  235   2HD1  LEU  29          HD12      LEU  29  -2.944  -2.184   0.378
  236   3HD1  LEU  29          HD13      LEU  29  -2.045  -2.444   1.887
  237   1HD2  LEU  29          HD21      LEU  29  -0.456  -2.346  -1.509
  238   2HD2  LEU  29          HD22      LEU  29  -0.761  -4.065  -1.846
  239   3HD2  LEU  29          HD23      LEU  29  -2.118  -2.951  -1.723
  240    H    LYS  30           H        LYS  30   3.160  -4.239   1.734
  241    HA   LYS  30           HA       LYS  30   4.398  -2.331  -0.167
  242   1HB   LYS  30          HB2       LYS  30   4.817  -0.918   1.575
  243   2HB   LYS  30          HB3       LYS  30   3.294  -1.655   2.012
  244   1HG   LYS  30          HG2       LYS  30   4.509  -1.455   3.973
  245   2HG   LYS  30          HG3       LYS  30   4.556  -3.178   3.591
  246   1HD   LYS  30          HD2       LYS  30   6.799  -3.103   2.914
  247   2HD   LYS  30          HD3       LYS  30   6.804  -1.364   2.691
  248   1HE   LYS  30          HE2       LYS  30   6.754  -2.896   5.331
  249   2HE   LYS  30          HE3       LYS  30   8.127  -2.021   4.653
  250   1HZ   LYS  30          HZ1       LYS  30   6.712   0.057   4.893
  251   2HZ   LYS  30          HZ2       LYS  30   5.627  -0.894   5.733
  252   3HZ   LYS  30          HZ3       LYS  30   7.111  -0.665   6.305
  253    H    GLU  31           H        GLU  31   5.269  -5.288   1.374
  254    HA   GLU  31           HA       GLU  31   8.021  -5.211   0.419
  255   1HB   GLU  31          HB2       GLU  31   6.040  -7.479   0.880
  256   2HB   GLU  31          HB3       GLU  31   7.644  -7.732   0.198
  257   1HG   GLU  31          HG2       GLU  31   8.699  -6.737   2.178
  258   2HG   GLU  31          HG3       GLU  31   7.132  -6.537   2.951
  259    H    LYS  32           H        LYS  32   4.764  -6.006  -1.160
  260    HA   LYS  32           HA       LYS  32   6.097  -7.134  -3.384
  261   1HB   LYS  32          HB2       LYS  32   3.980  -7.628  -4.108
  262   2HB   LYS  32          HB3       LYS  32   3.758  -7.496  -2.387
  263   1HG   LYS  32          HG2       LYS  32   1.957  -6.246  -3.005
  264   2HG   LYS  32          HG3       LYS  32   3.165  -4.969  -2.896
  265   1HD   LYS  32          HD2       LYS  32   1.901  -4.687  -4.951
  266   2HD   LYS  32          HD3       LYS  32   3.497  -5.172  -5.414
  267   1HE   LYS  32          HE2       LYS  32   2.726  -7.588  -5.552
  268   2HE   LYS  32          HE3       LYS  32   1.082  -7.046  -5.266
  269   1HZ   LYS  32          HZ1       LYS  32   2.759  -6.096  -7.549
  270   2HZ   LYS  32          HZ2       LYS  32   1.740  -7.378  -7.655
  271   3HZ   LYS  32          HZ3       LYS  32   1.164  -5.878  -7.375
  272    H    ILE  33           H        ILE  33   4.861  -3.752  -2.991
  273    HA   ILE  33           HA       ILE  33   5.055  -3.172  -5.734
  274    HB   ILE  33           HB       ILE  33   4.601  -0.983  -5.272
  275   1HG1  ILE  33          HG12      ILE  33   4.201  -0.327  -2.722
  276   2HG1  ILE  33          HG13      ILE  33   5.550  -1.435  -2.455
  277   1HG2  ILE  33          HG21      ILE  33   2.790  -2.519  -5.182
  278   2HG2  ILE  33          HG22      ILE  33   3.028  -2.781  -3.453
  279   3HG2  ILE  33          HG23      ILE  33   2.517  -1.201  -4.027
  280   1HD1  ILE  33          HD11      ILE  33   6.176   1.007  -2.812
  281   2HD1  ILE  33          HD12      ILE  33   6.956  -0.089  -3.970
  282   3HD1  ILE  33          HD13      ILE  33   5.557   0.880  -4.461
  283    H    GLU  34           H        GLU  34   7.562  -3.170  -3.281
  284    HA   GLU  34           HA       GLU  34   9.481  -1.444  -4.518
  285   1HB   GLU  34          HB2       GLU  34   9.596  -2.413  -2.193
  286   2HB   GLU  34          HB3       GLU  34   9.979  -3.983  -2.913
  287   1HG   GLU  34          HG2       GLU  34  12.023  -2.907  -3.971
  288   2HG   GLU  34          HG3       GLU  34  11.633  -1.428  -3.098
  289    H    SER  35           H        SER  35   8.484  -4.790  -5.292
  290    HA   SER  35           HA       SER  35  10.679  -5.370  -7.093
  291   1HB   SER  35          HB2       SER  35   7.866  -6.529  -7.007
  292   2HB   SER  35          HB3       SER  35   9.246  -7.200  -7.893
  293    HG   SER  35           HG       SER  35   8.958  -8.213  -5.848
  294    H    GLU  36           H        GLU  36   8.010  -3.254  -7.437
  295    HA   GLU  36           HA       GLU  36   8.122  -3.306 -10.442
  296   1HB   GLU  36          HB2       GLU  36   5.897  -2.618  -8.497
  297   2HB   GLU  36          HB3       GLU  36   5.808  -2.356 -10.245
  298   1HG   GLU  36          HG2       GLU  36   6.128  -4.770 -10.660
  299   2HG   GLU  36          HG3       GLU  36   6.262  -5.076  -8.929
  300    H    LYS  37           H        LYS  37   8.111  -1.195  -7.595
  301    HA   LYS  37           HA       LYS  37   8.627   1.218  -9.284
  302   1HB   LYS  37          HB2       LYS  37   7.806   1.030  -6.356
  303   2HB   LYS  37          HB3       LYS  37   7.885   2.483  -7.355
  304   1HG   LYS  37          HG2       LYS  37   5.917   0.192  -7.740
  305   2HG   LYS  37          HG3       LYS  37   5.581   1.759  -7.004
  306   1HD   LYS  37          HD2       LYS  37   6.143   2.902  -9.132
  307   2HD   LYS  37          HD3       LYS  37   6.458   1.328  -9.895
  308   1HE   LYS  37          HE2       LYS  37   4.122   0.630  -9.395
  309   2HE   LYS  37          HE3       LYS  37   3.809   2.220  -8.692
  310   1HZ   LYS  37          HZ1       LYS  37   4.270   3.220 -10.863
  311   2HZ   LYS  37          HZ2       LYS  37   4.617   1.758 -11.517
  312   3HZ   LYS  37          HZ3       LYS  37   3.097   2.094 -11.027
  313    H    GLY  38           H        GLY  38  10.301  -0.970  -7.348
  314   1HA   GLY  38          HA2       GLY  38  12.577  -1.173  -7.256
  315   2HA   GLY  38          HA3       GLY  38  12.776   0.474  -7.823
  316    H    LYS  39           H        LYS  39  14.043  -1.163  -5.654
  317    HA   LYS  39           HA       LYS  39  13.840  -0.079  -3.087
  318   1HB   LYS  39          HB2       LYS  39  15.315  -1.942  -3.965
  319   2HB   LYS  39          HB3       LYS  39  16.292  -0.740  -4.792
  320   1HG   LYS  39          HG2       LYS  39  17.497  -1.310  -2.871
  321   2HG   LYS  39          HG3       LYS  39  16.836   0.287  -2.557
  322   1HD   LYS  39          HD2       LYS  39  16.552  -0.946  -0.535
  323   2HD   LYS  39          HD3       LYS  39  14.944  -0.880  -1.275
  324   1HE   LYS  39          HE2       LYS  39  15.434  -3.161  -2.302
  325   2HE   LYS  39          HE3       LYS  39  16.930  -3.205  -1.359
  326   1HZ   LYS  39          HZ1       LYS  39  14.172  -3.012  -0.286
  327   2HZ   LYS  39          HZ2       LYS  39  15.100  -4.350  -0.234
  328   3HZ   LYS  39          HZ3       LYS  39  15.531  -3.041   0.659
  329    H    ASP  40           H        ASP  40  15.144   1.370  -5.996
  330    HA   ASP  40           HA       ASP  40  16.602   3.533  -4.860
  331   1HB   ASP  40          HB2       ASP  40  16.843   2.579  -7.154
  332   2HB   ASP  40          HB3       ASP  40  15.294   3.297  -7.598
  333    H    ALA  41           H        ALA  41  13.149   3.210  -5.269
  334    HA   ALA  41           HA       ALA  41  12.766   6.105  -4.590
  335   1HB   ALA  41          HB1       ALA  41  10.896   6.159  -6.180
  336   2HB   ALA  41          HB2       ALA  41  12.418   5.752  -6.995
  337   3HB   ALA  41          HB3       ALA  41  11.227   4.478  -6.648
  338    H    PHE  42           H        PHE  42  11.624   2.794  -4.083
  339    HA   PHE  42           HA       PHE  42   9.935   3.768  -1.830
  340   1HB   PHE  42          HB2       PHE  42   9.048   1.787  -3.956
  341   2HB   PHE  42          HB3       PHE  42   8.205   2.120  -2.446
  342    HD1  PHE  42           HD1      PHE  42   6.864   4.117  -2.117
  343    HD2  PHE  42           HD2      PHE  42   9.106   3.503  -5.746
  344    HE1  PHE  42           HE1      PHE  42   5.691   6.040  -3.165
  345    HE2  PHE  42           HE2      PHE  42   7.931   5.430  -6.798
  346    HZ   PHE  42           HZ       PHE  42   6.245   6.714  -5.500
  347    HA   PRO  43           HA       PRO  43  12.853   0.262  -0.753
  348   1HB   PRO  43          HB2       PRO  43  14.081   1.334   1.409
  349   2HB   PRO  43          HB3       PRO  43  14.631   1.571  -0.282
  350   1HG   PRO  43          HG2       PRO  43  12.841   3.341   1.366
  351   2HG   PRO  43          HG3       PRO  43  14.307   3.818   0.429
  352   1HD   PRO  43          HD2       PRO  43  11.805   4.169  -0.558
  353   2HD   PRO  43          HD3       PRO  43  13.138   3.621  -1.623
  354    H    VAL  44           H        VAL  44  11.940  -1.353   0.413
  355    HA   VAL  44           HA       VAL  44   9.612  -1.248   1.911
  356    HB   VAL  44           HB       VAL  44  10.994  -3.188   0.988
  357   1HG1  VAL  44          HG11      VAL  44  12.238  -4.587   2.466
  358   2HG1  VAL  44          HG12      VAL  44  13.010  -3.000   2.374
  359   3HG1  VAL  44          HG13      VAL  44  12.045  -3.448   3.808
  360   1HG2  VAL  44          HG21      VAL  44   8.783  -3.457   1.945
  361   2HG2  VAL  44          HG22      VAL  44   9.811  -4.800   2.457
  362   3HG2  VAL  44          HG23      VAL  44   9.454  -3.488   3.596
  363    H    ALA  45           H        ALA  45  12.832  -0.980   3.060
  364    HA   ALA  45           HA       ALA  45  12.563  -0.857   5.852
  365   1HB   ALA  45          HB1       ALA  45  14.790   0.213   5.761
  366   2HB   ALA  45          HB2       ALA  45  14.677  -1.117   4.591
  367   3HB   ALA  45          HB3       ALA  45  14.547   0.573   4.038
  368    H    GLY  46           H        GLY  46  11.591   1.644   3.618
  369   1HA   GLY  46          HA2       GLY  46  11.164   3.579   5.873
  370   2HA   GLY  46          HA3       GLY  46  12.033   4.058   4.419
  371    H    GLN  47           H        GLN  47   9.765   2.106   3.054
  372    HA   GLN  47           HA       GLN  47   8.021   4.372   2.503
  373   1HB   GLN  47          HB2       GLN  47   6.879   3.084   0.928
  374   2HB   GLN  47          HB3       GLN  47   8.604   2.802   0.724
  375   1HG   GLN  47          HG2       GLN  47   8.434   0.599   1.713
  376   2HG   GLN  47          HG3       GLN  47   6.772   0.896   2.232
  377   1HE2  GLN  47          HE21      GLN  47   8.766   0.017  -0.612
  378   2HE2  GLN  47          HE22      GLN  47   7.346  -0.366  -1.561
  379    H    LYS  48           H        LYS  48   5.889   4.587   2.791
  380    HA   LYS  48           HA       LYS  48   4.516   3.346   5.136
  381   1HB   LYS  48          HB2       LYS  48   5.922   5.257   5.835
  382   2HB   LYS  48          HB3       LYS  48   5.155   6.290   4.629
  383   1HG   LYS  48          HG2       LYS  48   3.012   6.161   5.809
  384   2HG   LYS  48          HG3       LYS  48   3.676   4.963   6.949
  385   1HD   LYS  48          HD2       LYS  48   5.312   6.626   7.748
  386   2HD   LYS  48          HD3       LYS  48   4.695   7.818   6.581
  387   1HE   LYS  48          HE2       LYS  48   2.457   7.710   7.663
  388   2HE   LYS  48          HE3       LYS  48   3.074   6.530   8.827
  389   1HZ   LYS  48          HZ1       LYS  48   4.637   8.226   9.617
  390   2HZ   LYS  48          HZ2       LYS  48   4.069   9.318   8.541
  391   3HZ   LYS  48          HZ3       LYS  48   3.110   8.782   9.747
  392    H    LEU  49           H        LEU  49   2.198   3.994   5.159
  393    HA   LEU  49           HA       LEU  49   1.034   4.655   2.496
  394   1HB   LEU  49          HB2       LEU  49   0.651   2.038   4.012
  395   2HB   LEU  49          HB3       LEU  49  -0.516   2.673   2.859
  396    HG   LEU  49           HG       LEU  49   1.557   2.833   1.246
  397   1HD1  LEU  49          HD11      LEU  49   2.322   0.457   3.017
  398   2HD1  LEU  49          HD12      LEU  49   3.064   0.888   1.459
  399   3HD1  LEU  49          HD13      LEU  49   3.280   1.932   2.853
  400   1HD2  LEU  49          HD21      LEU  49   0.984   0.584   0.377
  401   2HD2  LEU  49          HD22      LEU  49   0.132   0.224   1.898
  402   3HD2  LEU  49          HD23      LEU  49  -0.450   1.513   0.823
  403    H    ILE  50           H        ILE  50  -1.134   5.169   2.528
  404    HA   ILE  50           HA       ILE  50  -2.546   5.848   5.087
  405    HB   ILE  50           HB       ILE  50  -1.755   7.634   2.772
  406   1HG1  ILE  50          HG12      ILE  50  -0.384   7.622   4.900
  407   2HG1  ILE  50          HG13      ILE  50  -0.955   9.178   4.326
  408   1HG2  ILE  50          HG21      ILE  50  -4.110   8.049   2.791
  409   2HG2  ILE  50          HG22      ILE  50  -4.145   8.112   4.575
  410   3HG2  ILE  50          HG23      ILE  50  -3.344   9.391   3.629
  411   1HD1  ILE  50          HD11      ILE  50  -2.240   7.615   6.594
  412   2HD1  ILE  50          HD12      ILE  50  -1.148   9.005   6.766
  413   3HD1  ILE  50          HD13      ILE  50  -2.749   9.212   6.035
  414    H    TYR  51           H        TYR  51  -4.771   5.591   4.973
  415    HA   TYR  51           HA       TYR  51  -5.991   5.159   2.272
  416   1HB   TYR  51          HB2       TYR  51  -5.883   3.012   3.351
  417   2HB   TYR  51          HB3       TYR  51  -6.649   3.645   4.800
  418    HD1  TYR  51           HD1      TYR  51  -7.395   3.828   1.081
  419    HD2  TYR  51           HD2      TYR  51  -8.825   2.830   5.020
  420    HE1  TYR  51           HE1      TYR  51  -9.619   3.266   0.132
  421    HE2  TYR  51           HE2      TYR  51 -11.055   2.263   4.070
  422    HH   TYR  51           HH       TYR  51 -12.306   2.066   2.189
  423    H    ALA  52           H        ALA  52  -6.525   7.228   2.032
  424    HA   ALA  52           HA       ALA  52  -7.764   9.102   2.076
  425   1HB   ALA  52          HB1       ALA  52 -10.159   8.663   2.164
  426   2HB   ALA  52          HB2       ALA  52  -9.322   7.308   1.388
  427   3HB   ALA  52          HB3       ALA  52  -9.878   7.161   3.073
  428    H    GLY  53           H        GLY  53  -6.396   8.623   4.769
  429   1HA   GLY  53          HA2       GLY  53  -6.556  10.722   6.231
  430   2HA   GLY  53          HA3       GLY  53  -8.215  10.220   6.553
  431    H    LYS  54           H        LYS  54  -6.552   7.355   6.406
  432    HA   LYS  54           HA       LYS  54  -5.708   7.413   9.282
  433   1HB   LYS  54          HB2       LYS  54  -6.741   5.378   9.734
  434   2HB   LYS  54          HB3       LYS  54  -7.941   6.256   8.787
  435   1HG   LYS  54          HG2       LYS  54  -6.991   4.933   6.746
  436   2HG   LYS  54          HG3       LYS  54  -6.148   3.948   7.935
  437   1HD   LYS  54          HD2       LYS  54  -8.118   2.769   7.419
  438   2HD   LYS  54          HD3       LYS  54  -8.417   3.479   9.012
  439   1HE   LYS  54          HE2       LYS  54  -9.726   5.306   7.949
  440   2HE   LYS  54          HE3       LYS  54  -9.337   4.672   6.348
  441   1HZ   LYS  54          HZ1       LYS  54 -11.523   3.921   7.023
  442   2HZ   LYS  54          HZ2       LYS  54 -10.541   2.608   6.977
  443   3HZ   LYS  54          HZ3       LYS  54 -10.957   3.277   8.412
  444    H    ILE  55           H        ILE  55  -4.040   5.934   9.869
  445    HA   ILE  55           HA       ILE  55  -2.037   5.770   7.681
  446    HB   ILE  55           HB       ILE  55  -1.624   5.584  10.696
  447   1HG1  ILE  55          HG12      ILE  55  -1.217   8.008   8.887
  448   2HG1  ILE  55          HG13      ILE  55  -2.551   7.819  10.021
  449   1HG2  ILE  55          HG21      ILE  55   0.760   5.989  10.127
  450   2HG2  ILE  55          HG22      ILE  55   0.180   4.547   9.325
  451   3HG2  ILE  55          HG23      ILE  55   0.345   6.051   8.397
  452   1HD1  ILE  55          HD11      ILE  55  -0.945   9.240  11.044
  453   2HD1  ILE  55          HD12      ILE  55  -0.899   7.687  11.901
  454   3HD1  ILE  55          HD13      ILE  55   0.381   8.113  10.738
  455    H    LEU  56           H        LEU  56  -1.495   3.912   6.818
  456    HA   LEU  56           HA       LEU  56  -2.534   1.353   7.802
  457   1HB   LEU  56          HB2       LEU  56  -1.334   2.469   5.326
  458   2HB   LEU  56          HB3       LEU  56  -0.789   0.852   5.697
  459    HG   LEU  56           HG       LEU  56  -3.127   0.058   5.810
  460   1HD1  LEU  56          HD11      LEU  56  -4.284   2.130   6.497
  461   2HD1  LEU  56          HD12      LEU  56  -3.849   2.893   4.953
  462   3HD1  LEU  56          HD13      LEU  56  -4.960   1.503   4.995
  463   1HD2  LEU  56          HD21      LEU  56  -3.572   0.161   3.422
  464   2HD2  LEU  56          HD22      LEU  56  -2.559   1.603   3.245
  465   3HD2  LEU  56          HD23      LEU  56  -1.829   0.036   3.673
  466    H    ASN  57           H        ASN  57  -1.359  -0.396   8.533
  467    HA   ASN  57           HA       ASN  57   1.253   0.266   9.827
  468   1HB   ASN  57          HB2       ASN  57  -0.582   0.679  11.331
  469   2HB   ASN  57          HB3       ASN  57  -1.382  -0.808  10.912
  470   1HD2  ASN  57          HD21      ASN  57  -1.411  -1.136  13.297
  471   2HD2  ASN  57          HD22      ASN  57   0.033  -1.795  14.051
  472    H    ASP  58           H        ASP  58   2.824  -1.193   9.603
  473    HA   ASP  58           HA       ASP  58   2.584  -3.507   7.959
  474   1HB   ASP  58          HB2       ASP  58   4.759  -2.757   9.941
  475   2HB   ASP  58          HB3       ASP  58   4.903  -3.973   8.667
  476    H    ASP  59           H        ASP  59   1.713  -3.221  11.243
  477    HA   ASP  59           HA       ASP  59   1.950  -6.154  11.744
  478   1HB   ASP  59          HB2       ASP  59   3.191  -4.495  13.185
  479   2HB   ASP  59          HB3       ASP  59   1.632  -3.879  13.727
  480    H    THR  60           H        THR  60  -0.468  -4.161  10.607
  481    HA   THR  60           HA       THR  60  -2.606  -5.783  11.907
  482    HB   THR  60           HB       THR  60  -2.453  -2.796  11.447
  483    HG1  THR  60           HG1      THR  60  -1.880  -3.792  13.455
  484   1HG2  THR  60          HG21      THR  60  -4.581  -3.441  10.472
  485   2HG2  THR  60          HG22      THR  60  -4.972  -4.430  11.902
  486   3HG2  THR  60          HG23      THR  60  -4.837  -2.657  12.034
  487    H    ALA  61           H        ALA  61  -4.275  -6.413  10.606
  488    HA   ALA  61           HA       ALA  61  -3.456  -6.962   7.899
  489   1HB   ALA  61          HB1       ALA  61  -5.375  -8.466   7.927
  490   2HB   ALA  61          HB2       ALA  61  -4.316  -8.680   9.330
  491   3HB   ALA  61          HB3       ALA  61  -5.856  -7.805   9.516
  492    H    LEU  62           H        LEU  62  -4.461  -6.586   5.957
  493    HA   LEU  62           HA       LEU  62  -5.294  -4.131   5.256
  494   1HB   LEU  62          HB2       LEU  62  -5.453  -6.888   4.168
  495   2HB   LEU  62          HB3       LEU  62  -6.541  -5.758   3.411
  496    HG   LEU  62           HG       LEU  62  -4.303  -6.109   2.366
  497   1HD1  LEU  62          HD11      LEU  62  -4.984  -3.228   3.106
  498   2HD1  LEU  62          HD12      LEU  62  -4.113  -3.769   1.659
  499   3HD1  LEU  62          HD13      LEU  62  -5.814  -4.180   1.857
  500   1HD2  LEU  62          HD21      LEU  62  -3.199  -4.287   4.531
  501   2HD2  LEU  62          HD22      LEU  62  -2.805  -6.005   4.284
  502   3HD2  LEU  62          HD23      LEU  62  -2.375  -4.819   3.055
  503    H    LYS  63           H        LYS  63  -7.693  -6.734   5.848
  504    HA   LYS  63           HA       LYS  63  -9.962  -5.152   5.356
  505   1HB   LYS  63          HB2       LYS  63 -11.253  -6.904   6.151
  506   2HB   LYS  63          HB3       LYS  63  -9.837  -7.631   5.430
  507   1HG   LYS  63          HG2       LYS  63 -10.577  -7.443   8.373
  508   2HG   LYS  63          HG3       LYS  63 -10.353  -8.877   7.367
  509   1HD   LYS  63          HD2       LYS  63  -7.882  -8.182   7.208
  510   2HD   LYS  63          HD3       LYS  63  -8.189  -7.061   8.528
  511   1HE   LYS  63          HE2       LYS  63  -8.869 -10.057   8.599
  512   2HE   LYS  63          HE3       LYS  63  -7.289  -9.451   9.082
  513   1HZ   LYS  63          HZ1       LYS  63  -8.819  -9.761  10.964
  514   2HZ   LYS  63          HZ2       LYS  63  -8.275  -8.232  10.876
  515   3HZ   LYS  63          HZ3       LYS  63  -9.813  -8.601  10.392
  516    H    GLU  64           H        GLU  64  -8.057  -4.959   8.265
  517    HA   GLU  64           HA       GLU  64 -10.271  -3.905   9.909
  518   1HB   GLU  64          HB2       GLU  64  -7.296  -4.259  10.329
  519   2HB   GLU  64          HB3       GLU  64  -8.279  -3.304  11.451
  520   1HG   GLU  64          HG2       GLU  64  -9.686  -5.134  12.006
  521   2HG   GLU  64          HG3       GLU  64  -9.143  -6.091  10.638
  522    H    TYR  65           H        TYR  65  -7.915  -2.607   7.705
  523    HA   TYR  65           HA       TYR  65  -8.497   0.214   8.400
  524   1HB   TYR  65          HB2       TYR  65  -7.400  -0.758   5.771
  525   2HB   TYR  65          HB3       TYR  65  -7.237   0.839   6.469
  526    HD1  TYR  65           HD1      TYR  65  -5.949   0.838   8.936
  527    HD2  TYR  65           HD2      TYR  65  -5.658  -2.176   5.858
  528    HE1  TYR  65           HE1      TYR  65  -3.894  -0.045   9.983
  529    HE2  TYR  65           HE2      TYR  65  -3.641  -3.112   6.970
  530    HH   TYR  65           HH       TYR  65  -2.177  -2.887   8.726
  531    H    LYS  66           H        LYS  66 -10.096  -2.275   6.738
  532    HA   LYS  66           HA       LYS  66 -12.001  -2.515   5.568
  533   1HB   LYS  66          HB2       LYS  66 -12.693   0.256   6.603
  534   2HB   LYS  66          HB3       LYS  66 -13.831  -0.948   5.991
  535   1HG   LYS  66          HG2       LYS  66 -13.319  -2.477   7.817
  536   2HG   LYS  66          HG3       LYS  66 -12.011  -1.440   8.384
  537   1HD   LYS  66          HD2       LYS  66 -13.735   0.388   8.804
  538   2HD   LYS  66          HD3       LYS  66 -14.973  -0.835   8.471
  539   1HE   LYS  66          HE2       LYS  66 -14.693  -0.795  10.844
  540   2HE   LYS  66          HE3       LYS  66 -13.931  -2.282  10.272
  541   1HZ   LYS  66          HZ1       LYS  66 -12.520  -1.139  11.877
  542   2HZ   LYS  66          HZ2       LYS  66 -11.752  -1.108  10.438
  543   3HZ   LYS  66          HZ3       LYS  66 -12.505   0.231  10.999
  544    H    ILE  67           H        ILE  67  -9.893  -1.977   3.979
  545    HA   ILE  67           HA       ILE  67 -10.307   0.180   2.125
  546    HB   ILE  67           HB       ILE  67  -8.572  -2.274   1.828
  547   1HG1  ILE  67          HG12      ILE  67  -8.276   0.224   3.466
  548   2HG1  ILE  67          HG13      ILE  67  -7.858  -1.458   3.813
  549   1HG2  ILE  67          HG21      ILE  67  -7.292  -0.815   0.310
  550   2HG2  ILE  67          HG22      ILE  67  -8.936  -0.965  -0.269
  551   3HG2  ILE  67          HG23      ILE  67  -8.430   0.519   0.585
  552   1HD1  ILE  67          HD11      ILE  67  -5.932  -1.215   2.201
  553   2HD1  ILE  67          HD12      ILE  67  -6.342   0.522   2.128
  554   3HD1  ILE  67          HD13      ILE  67  -5.854  -0.211   3.667
  555    H    ASP  68           H        ASP  68 -11.143   0.084   0.023
  556    HA   ASP  68           HA       ASP  68 -12.745  -2.337  -0.726
  557   1HB   ASP  68          HB2       ASP  68 -14.133  -0.470   0.155
  558   2HB   ASP  68          HB3       ASP  68 -13.482   0.583  -1.101
  559    H    GLU  69           H        GLU  69 -12.737  -2.965  -2.838
  560    HA   GLU  69           HA       GLU  69 -10.411  -2.455  -4.353
  561   1HB   GLU  69          HB2       GLU  69 -12.987  -3.699  -5.382
  562   2HB   GLU  69          HB3       GLU  69 -11.347  -3.931  -6.003
  563   1HG   GLU  69          HG2       GLU  69 -10.762  -4.921  -3.700
  564   2HG   GLU  69          HG3       GLU  69 -12.489  -4.931  -3.367
  565    H    LYS  70           H        LYS  70 -13.311  -0.590  -4.344
  566    HA   LYS  70           HA       LYS  70 -12.673   0.699  -6.976
  567   1HB   LYS  70          HB2       LYS  70 -15.143   1.036  -5.234
  568   2HB   LYS  70          HB3       LYS  70 -14.916   1.627  -6.872
  569   1HG   LYS  70          HG2       LYS  70 -15.151  -1.294  -6.038
  570   2HG   LYS  70          HG3       LYS  70 -16.380  -0.310  -6.823
  571   1HD   LYS  70          HD2       LYS  70 -14.901  -0.074  -8.835
  572   2HD   LYS  70          HD3       LYS  70 -13.688  -1.079  -8.036
  573   1HE   LYS  70          HE2       LYS  70 -14.856  -2.497  -9.542
  574   2HE   LYS  70          HE3       LYS  70 -15.328  -2.955  -7.905
  575   1HZ   LYS  70          HZ1       LYS  70 -17.241  -2.815  -9.412
  576   2HZ   LYS  70          HZ2       LYS  70 -17.401  -1.703  -8.230
  577   3HZ   LYS  70          HZ3       LYS  70 -16.942  -1.245  -9.734
  578    H    ASN  71           H        ASN  71 -11.892   1.150  -3.781
  579    HA   ASN  71           HA       ASN  71 -11.694   4.136  -4.019
  580   1HB   ASN  71          HB2       ASN  71 -11.485   2.267  -1.618
  581   2HB   ASN  71          HB3       ASN  71 -11.144   3.992  -1.563
  582   1HD2  ASN  71          HD21      ASN  71 -12.965   3.079   0.161
  583   2HD2  ASN  71          HD22      ASN  71 -14.572   3.613  -0.337
  584    H    PHE  72           H        PHE  72  -9.545   4.903  -2.845
  585    HA   PHE  72           HA       PHE  72  -7.281   3.173  -3.617
  586   1HB   PHE  72          HB2       PHE  72  -6.111   4.940  -4.775
  587   2HB   PHE  72          HB3       PHE  72  -7.628   4.550  -5.540
  588    HD1  PHE  72           HD1      PHE  72  -8.913   6.309  -6.329
  589    HD2  PHE  72           HD2      PHE  72  -6.146   7.040  -3.097
  590    HE1  PHE  72           HE1      PHE  72  -9.333   8.738  -6.512
  591    HE2  PHE  72           HE2      PHE  72  -6.635   9.461  -3.230
  592    HZ   PHE  72           HZ       PHE  72  -8.231  10.324  -4.937
  593    H    VAL  73           H        VAL  73  -5.207   4.043  -3.024
  594    HA   VAL  73           HA       VAL  73  -5.069   4.824  -0.138
  595    HB   VAL  73           HB       VAL  73  -4.107   2.403  -1.672
  596   1HG1  VAL  73          HG11      VAL  73  -2.615   1.714   0.119
  597   2HG1  VAL  73          HG12      VAL  73  -2.003   3.171  -0.663
  598   3HG1  VAL  73          HG13      VAL  73  -2.789   3.275   0.926
  599   1HG2  VAL  73          HG21      VAL  73  -5.280   2.728   1.103
  600   2HG2  VAL  73          HG22      VAL  73  -6.178   2.239  -0.358
  601   3HG2  VAL  73          HG23      VAL  73  -4.908   1.197   0.296
  602    H    VAL  74           H        VAL  74  -3.006   5.816   0.392
  603    HA   VAL  74           HA       VAL  74  -1.447   6.801  -1.979
  604    HB   VAL  74           HB       VAL  74  -1.723   8.300   0.638
  605   1HG1  VAL  74          HG11      VAL  74  -0.897  10.196  -0.769
  606   2HG1  VAL  74          HG12      VAL  74   0.279   8.895  -0.643
  607   3HG1  VAL  74          HG13      VAL  74  -0.684   9.071  -2.128
  608   1HG2  VAL  74          HG21      VAL  74  -3.215   9.867  -0.580
  609   2HG2  VAL  74          HG22      VAL  74  -3.275   8.733  -1.943
  610   3HG2  VAL  74          HG23      VAL  74  -3.953   8.281  -0.366
  611    H    VAL  75           H        VAL  75   0.768   6.663  -1.871
  612    HA   VAL  75           HA       VAL  75   1.983   5.259   0.486
  613    HB   VAL  75           HB       VAL  75   2.908   5.073  -2.372
  614   1HG1  VAL  75          HG11      VAL  75   3.508   3.321   0.037
  615   2HG1  VAL  75          HG12      VAL  75   4.111   3.069  -1.610
  616   3HG1  VAL  75          HG13      VAL  75   4.617   4.493  -0.702
  617   1HG2  VAL  75          HG21      VAL  75   1.911   2.790  -2.451
  618   2HG2  VAL  75          HG22      VAL  75   1.060   3.137  -0.930
  619   3HG2  VAL  75          HG23      VAL  75   0.701   4.070  -2.396
  620    H    MET  76           H        MET  76   3.791   6.040   1.325
  621    HA   MET  76           HA       MET  76   5.075   8.536   0.295
  622   1HB   MET  76          HB2       MET  76   3.293   8.992   1.931
  623   2HB   MET  76          HB3       MET  76   3.980   7.825   3.060
  624   1HG   MET  76          HG2       MET  76   5.972   9.209   3.325
  625   2HG   MET  76          HG3       MET  76   5.351  10.380   2.154
  626   1HE   MET  76          HE1       MET  76   2.465  12.133   4.101
  627   2HE   MET  76          HE2       MET  76   3.506  12.150   2.663
  628   3HE   MET  76          HE3       MET  76   2.317  10.846   2.891
  629    H    VAL  77           H        VAL  77   7.245   8.906   1.365
  630    HA   VAL  77           HA       VAL  77   8.477   6.486   2.602
  631    HB   VAL  77           HB       VAL  77   9.804   8.180   0.451
  632   1HG1  VAL  77          HG11      VAL  77  11.699   6.585   0.677
  633   2HG1  VAL  77          HG12      VAL  77  11.456   7.513   2.155
  634   3HG1  VAL  77          HG13      VAL  77  10.895   5.827   2.067
  635   1HG2  VAL  77          HG21      VAL  77   8.265   6.526  -0.535
  636   2HG2  VAL  77          HG22      VAL  77   9.940   6.046  -0.803
  637   3HG2  VAL  77          HG23      VAL  77   8.988   5.240   0.458
  638    H    THR  78           H        THR  78   9.680   6.886   4.367
  639    HA   THR  78           HA       THR  78  10.501   9.659   5.034
  640    HB   THR  78           HB       THR  78   9.735   9.238   7.405
  641    HG1  THR  78           HG1      THR  78   9.360   6.980   7.211
  642   1HG2  THR  78          HG21      THR  78   7.461   9.303   5.378
  643   2HG2  THR  78          HG22      THR  78   7.426   9.886   7.054
  644   3HG2  THR  78          HG23      THR  78   8.446  10.706   5.858
  645    H    LYS  79           H        LYS  79  12.207   9.803   6.491
  646    HA   LYS  79           HA       LYS  79  14.386   9.325   6.926
  647   1HB   LYS  79          HB2       LYS  79  12.932   8.572   8.886
  648   2HB   LYS  79          HB3       LYS  79  13.171   6.926   8.340
  649   1HG   LYS  79          HG2       LYS  79  14.673   7.432  10.168
  650   2HG   LYS  79          HG3       LYS  79  15.643   7.194   8.719
  651   1HD   LYS  79          HD2       LYS  79  15.927   9.647   8.477
  652   2HD   LYS  79          HD3       LYS  79  14.812   9.914   9.823
  653   1HE   LYS  79          HE2       LYS  79  17.029  10.209  10.661
  654   2HE   LYS  79          HE3       LYS  79  16.385   8.716  11.347
  655   1HZ   LYS  79          HZ1       LYS  79  18.672   8.449  10.551
  656   2HZ   LYS  79          HZ2       LYS  79  17.686   7.479   9.692
  657   3HZ   LYS  79          HZ3       LYS  79  18.252   8.866   9.032
  658    HA   PRO  80           HA       PRO  80  15.114   5.907   3.750
  659   1HB   PRO  80          HB2       PRO  80  15.891   7.359   1.586
  660   2HB   PRO  80          HB3       PRO  80  14.166   7.093   1.976
  661   1HG   PRO  80          HG2       PRO  80  15.877   9.506   2.681
  662   2HG   PRO  80          HG3       PRO  80  14.276   9.487   1.871
  663   1HD   PRO  80          HD2       PRO  80  14.539   9.881   4.562
  664   2HD   PRO  80          HD3       PRO  80  13.166   8.966   3.865
  665    H    LYS  81           H        LYS  81  17.265   5.559   2.590
  666    HA   LYS  81           HA       LYS  81  19.546   6.193   4.280
  667   1HB   LYS  81          HB2       LYS  81  19.083   3.981   3.129
  668   2HB   LYS  81          HB3       LYS  81  19.460   4.746   1.599
  669   1HG   LYS  81          HG2       LYS  81  21.343   3.438   2.421
  670   2HG   LYS  81          HG3       LYS  81  21.788   5.128   2.320
  671   1HD   LYS  81          HD2       LYS  81  22.721   4.106   4.310
  672   2HD   LYS  81          HD3       LYS  81  21.574   5.365   4.772
  673   1HE   LYS  81          HE2       LYS  81  19.843   3.639   5.213
  674   2HE   LYS  81          HE3       LYS  81  20.951   2.374   4.665
  675   1HZ   LYS  81          HZ1       LYS  81  21.408   4.121   7.029
  676   2HZ   LYS  81          HZ2       LYS  81  20.944   2.558   7.085
  677   3HZ   LYS  81          HZ3       LYS  81  22.423   2.945   6.519
  678    H    ALA  82           H        ALA  82  18.851   8.591   3.757
  679    HA   ALA  82           HA       ALA  82  19.945   9.827   1.373
  680   1HB   ALA  82          HB1       ALA  82  18.099  10.824   2.629
  681   2HB   ALA  82          HB2       ALA  82  19.123  10.982   4.074
  682   3HB   ALA  82          HB3       ALA  82  19.490  11.921   2.609
  683    H    VAL  83           H        VAL  83  22.067   9.325   1.052
  684    HA   VAL  83           HA       VAL  83  24.089  10.336   3.019
  685    HB   VAL  83           HB       VAL  83  25.544   8.455   2.480
  686   1HG1  VAL  83          HG11      VAL  83  24.013   8.310   4.421
  687   2HG1  VAL  83          HG12      VAL  83  22.830   7.452   3.407
  688   3HG1  VAL  83          HG13      VAL  83  24.417   6.731   3.726
  689   1HG2  VAL  83          HG21      VAL  83  24.741   6.474   1.290
  690   2HG2  VAL  83          HG22      VAL  83  23.209   7.279   0.909
  691   3HG2  VAL  83          HG23      VAL  83  24.732   7.874   0.214
  692    H    SER  84           H        SER  84  22.897  11.070   0.125
  693    HA   SER  84           HA       SER  84  25.469  12.195  -0.884
  694   1HB   SER  84          HB2       SER  84  23.292  10.931  -2.600
  695   2HB   SER  84          HB3       SER  84  24.677  11.856  -3.203
  696    HG   SER  84           HG       SER  84  24.741   9.394  -1.768
  697    H    THR  85           H        THR  85  25.299  14.192  -1.902
  698    HA   THR  85           HA       THR  85  22.713  15.661  -1.921
  699    HB   THR  85           HB       THR  85  23.885  17.637  -0.888
  700    HG1  THR  85           HG1      THR  85  26.001  16.691  -1.109
  701   1HG2  THR  85          HG21      THR  85  23.588  15.242   0.970
  702   2HG2  THR  85          HG22      THR  85  23.515  16.960   1.409
  703   3HG2  THR  85          HG23      THR  85  22.253  16.258   0.384
  Start of MODEL   12
    1   1H    GLY   1           H1       GLY   1 -10.008 -17.765  -6.944
    2   2H    GLY   1           H2       GLY   1  -8.669 -17.716  -7.887
    3   3H    GLY   1           H3       GLY   1  -9.458 -16.331  -7.508
    4   1HA   GLY   1          HA2       GLY   1  -8.030 -18.070  -5.602
    5   2HA   GLY   1          HA3       GLY   1  -7.447 -16.508  -6.205
    6    H    SER   2           H        SER   2  -7.329 -15.948  -3.924
    7    HA   SER   2           HA       SER   2  -9.947 -15.135  -2.697
    8   1HB   SER   2          HB2       SER   2  -7.523 -16.304  -1.286
    9   2HB   SER   2          HB3       SER   2  -9.055 -15.820  -0.534
   10    HG   SER   2           HG       SER   2  -8.963 -18.080  -0.937
   11    H    HIS   3           H        HIS   3  -7.384 -13.692  -4.046
   12    HA   HIS   3           HA       HIS   3  -6.523 -11.792  -2.042
   13   1HB   HIS   3          HB2       HIS   3  -6.450 -11.795  -5.086
   14   2HB   HIS   3          HB3       HIS   3  -5.774 -10.507  -4.107
   15    HD1  HIS   3           HD1      HIS   3  -3.605 -11.465  -5.683
   16    HD2  HIS   3           HD2      HIS   3  -4.846 -13.548  -2.236
   17    HE1  HIS   3           HE1      HIS   3  -1.615 -12.883  -4.940
   18    H    MET   4           H        MET   4  -6.796  -9.494  -2.262
   19    HA   MET   4           HA       MET   4  -9.392  -8.461  -3.320
   20   1HB   MET   4          HB2       MET   4  -9.539  -8.545  -0.883
   21   2HB   MET   4          HB3       MET   4  -7.943  -7.791  -0.718
   22   1HG   MET   4          HG2       MET   4  -8.787  -5.735  -1.762
   23   2HG   MET   4          HG3       MET   4 -10.387  -6.462  -1.942
   24   1HE   MET   4          HE1       MET   4 -12.155  -6.643  -0.068
   25   2HE   MET   4          HE2       MET   4 -11.125  -7.852   0.731
   26   3HE   MET   4          HE3       MET   4 -11.796  -6.501   1.666
   27    H    GLN   5           H        GLN   5  -9.141  -6.633  -4.576
   28    HA   GLN   5           HA       GLN   5  -6.348  -5.815  -5.166
   29   1HB   GLN   5          HB2       GLN   5  -7.706  -6.733  -6.981
   30   2HB   GLN   5          HB3       GLN   5  -8.907  -5.446  -6.757
   31   1HG   GLN   5          HG2       GLN   5  -7.200  -3.750  -7.365
   32   2HG   GLN   5          HG3       GLN   5  -5.980  -5.019  -7.513
   33   1HE2  GLN   5          HE21      GLN   5  -5.944  -6.316  -9.441
   34   2HE2  GLN   5          HE22      GLN   5  -7.007  -5.951 -10.792
   35    H    VAL   6           H        VAL   6  -5.648  -3.746  -5.027
   36    HA   VAL   6           HA       VAL   6  -7.427  -1.614  -3.941
   37    HB   VAL   6           HB       VAL   6  -4.748  -2.477  -2.756
   38   1HG1  VAL   6          HG11      VAL   6  -5.315  -0.835  -0.964
   39   2HG1  VAL   6          HG12      VAL   6  -5.068  -0.066  -2.524
   40   3HG1  VAL   6          HG13      VAL   6  -6.720  -0.306  -1.918
   41   1HG2  VAL   6          HG21      VAL   6  -6.490  -4.064  -2.054
   42   2HG2  VAL   6          HG22      VAL   6  -6.075  -3.012  -0.706
   43   3HG2  VAL   6          HG23      VAL   6  -7.572  -2.723  -1.614
   44    H    THR   7           H        THR   7  -6.677   0.481  -4.343
   45    HA   THR   7           HA       THR   7  -4.879   0.727  -6.724
   46    HB   THR   7           HB       THR   7  -7.124   2.538  -5.764
   47    HG1  THR   7           HG1      THR   7  -7.972   0.657  -6.526
   48   1HG2  THR   7          HG21      THR   7  -5.492   2.521  -8.339
   49   2HG2  THR   7          HG22      THR   7  -6.952   3.501  -8.057
   50   3HG2  THR   7          HG23      THR   7  -5.508   3.785  -7.086
   51    H    LEU   8           H        LEU   8  -2.999   1.800  -6.429
   52    HA   LEU   8           HA       LEU   8  -2.591   3.310  -3.866
   53   1HB   LEU   8          HB2       LEU   8  -0.410   1.947  -5.446
   54   2HB   LEU   8          HB3       LEU   8  -0.392   2.510  -3.783
   55    HG   LEU   8           HG       LEU   8  -1.715   0.037  -4.948
   56   1HD1  LEU   8          HD11      LEU   8   0.404   0.453  -2.792
   57   2HD1  LEU   8          HD12      LEU   8  -0.210  -1.112  -3.370
   58   3HD1  LEU   8          HD13      LEU   8   0.686  -0.043  -4.466
   59   1HD2  LEU   8          HD21      LEU   8  -1.800   0.947  -2.023
   60   2HD2  LEU   8          HD22      LEU   8  -3.179   1.060  -3.119
   61   3HD2  LEU   8          HD23      LEU   8  -2.521  -0.528  -2.706
   62    H    LYS   9           H        LYS   9  -2.140   5.428  -4.109
   63    HA   LYS   9           HA       LYS   9  -0.836   6.346  -6.637
   64   1HB   LYS   9          HB2       LYS   9  -2.073   8.292  -6.736
   65   2HB   LYS   9          HB3       LYS   9  -3.261   7.037  -6.397
   66   1HG   LYS   9          HG2       LYS   9  -3.165   7.664  -3.968
   67   2HG   LYS   9          HG3       LYS   9  -2.114   9.033  -4.420
   68   1HD   LYS   9          HD2       LYS   9  -4.943   8.550  -5.448
   69   2HD   LYS   9          HD3       LYS   9  -4.500   9.682  -4.157
   70   1HE   LYS   9          HE2       LYS   9  -3.082  10.949  -5.761
   71   2HE   LYS   9          HE3       LYS   9  -3.544   9.830  -7.053
   72   1HZ   LYS   9          HZ1       LYS   9  -5.424  11.581  -5.561
   73   2HZ   LYS   9          HZ2       LYS   9  -4.924  11.818  -7.094
   74   3HZ   LYS   9          HZ3       LYS   9  -5.859  10.529  -6.736
   75    H    THR  10           H        THR  10   0.305   8.432  -6.465
   76    HA   THR  10           HA       THR  10   2.004   8.437  -3.986
   77    HB   THR  10           HB       THR  10   3.977   8.309  -5.409
   78    HG1  THR  10           HG1      THR  10   2.251   7.805  -7.576
   79   1HG2  THR  10          HG21      THR  10   3.032   6.129  -4.698
   80   2HG2  THR  10          HG22      THR  10   2.068   6.059  -6.191
   81   3HG2  THR  10          HG23      THR  10   3.834   6.034  -6.278
   82    H    LEU  11           H        LEU  11   3.503  10.172  -3.782
   83    HA   LEU  11           HA       LEU  11   2.637  12.810  -4.454
   84   1HB   LEU  11          HB2       LEU  11   5.189  11.568  -3.390
   85   2HB   LEU  11          HB3       LEU  11   5.192  13.249  -3.906
   86    HG   LEU  11           HG       LEU  11   3.441  13.841  -2.338
   87   1HD1  LEU  11          HD11      LEU  11   2.150  11.775  -2.115
   88   2HD1  LEU  11          HD12      LEU  11   3.554  10.942  -1.405
   89   3HD1  LEU  11          HD13      LEU  11   2.752  12.271  -0.535
   90   1HD2  LEU  11          HD21      LEU  11   5.814  13.930  -1.649
   91   2HD2  LEU  11          HD22      LEU  11   4.755  13.579  -0.277
   92   3HD2  LEU  11          HD23      LEU  11   5.699  12.270  -1.024
   93    H    GLN  12           H        GLN  12   4.336  10.498  -6.393
   94    HA   GLN  12           HA       GLN  12   5.479  12.422  -8.283
   95   1HB   GLN  12          HB2       GLN  12   5.141   9.397  -8.491
   96   2HB   GLN  12          HB3       GLN  12   6.146  10.410  -9.524
   97   1HG   GLN  12          HG2       GLN  12   6.576   9.842  -6.563
   98   2HG   GLN  12          HG3       GLN  12   7.542   9.258  -7.905
   99   1HE2  GLN  12          HE21      GLN  12   7.787  11.383  -5.436
  100   2HE2  GLN  12          HE22      GLN  12   8.747  12.627  -6.222
  101    H    GLN  13           H        GLN  13   2.359  11.823  -7.709
  102    HA   GLN  13           HA       GLN  13   0.412  11.964  -8.800
  103   1HB   GLN  13          HB2       GLN  13   1.885  13.331 -11.069
  104   2HB   GLN  13          HB3       GLN  13   0.181  13.439 -10.664
  105   1HG   GLN  13          HG2       GLN  13   0.648  15.287  -9.502
  106   2HG   GLN  13          HG3       GLN  13   1.414  14.283  -8.287
  107   1HE2  GLN  13          HE21      GLN  13   3.681  14.678  -7.936
  108   2HE2  GLN  13          HE22      GLN  13   4.630  15.657  -9.047
  109    H    GLN  14           H        GLN  14   1.204   9.505  -8.852
  110    HA   GLN  14           HA       GLN  14   0.550   8.375 -11.511
  111   1HB   GLN  14          HB2       GLN  14   3.036   8.507 -11.329
  112   2HB   GLN  14          HB3       GLN  14   2.971   7.642  -9.788
  113   1HG   GLN  14          HG2       GLN  14   1.969   5.680 -10.944
  114   2HG   GLN  14          HG3       GLN  14   2.099   6.540 -12.486
  115   1HE2  GLN  14          HE21      GLN  14   4.478   7.278 -13.030
  116   2HE2  GLN  14          HE22      GLN  14   5.729   6.131 -12.575
  117    H    THR  15           H        THR  15  -0.631   6.485 -11.322
  118    HA   THR  15           HA       THR  15  -1.138   5.374  -8.613
  119    HB   THR  15           HB       THR  15  -3.374   5.848 -10.596
  120    HG1  THR  15           HG1      THR  15  -3.901   7.669  -9.480
  121   1HG2  THR  15          HG21      THR  15  -3.317   5.246  -7.618
  122   2HG2  THR  15          HG22      THR  15  -4.774   5.710  -8.519
  123   3HG2  THR  15          HG23      THR  15  -3.912   4.208  -8.916
  124    H    PHE  16           H        PHE  16  -1.573   3.180  -8.518
  125    HA   PHE  16           HA       PHE  16  -1.776   1.580 -11.000
  126   1HB   PHE  16          HB2       PHE  16   0.170   0.209 -10.408
  127   2HB   PHE  16          HB3       PHE  16   0.598   1.861 -10.770
  128    HD1  PHE  16           HD1      PHE  16   0.804  -0.801  -8.291
  129    HD2  PHE  16           HD2      PHE  16   1.176   3.476  -8.863
  130    HE1  PHE  16           HE1      PHE  16   2.059  -0.610  -6.192
  131    HE2  PHE  16           HE2      PHE  16   2.413   3.640  -6.721
  132    HZ   PHE  16           HZ       PHE  16   2.831   1.595  -5.363
  133    H    LYS  17           H        LYS  17  -1.848  -0.821 -10.404
  134    HA   LYS  17           HA       LYS  17  -3.950  -1.169  -8.295
  135   1HB   LYS  17          HB2       LYS  17  -3.693  -2.395 -11.088
  136   2HB   LYS  17          HB3       LYS  17  -4.983  -2.740  -9.947
  137   1HG   LYS  17          HG2       LYS  17  -4.461   0.007 -11.186
  138   2HG   LYS  17          HG3       LYS  17  -5.591  -1.198 -11.811
  139   1HD   LYS  17          HD2       LYS  17  -6.827  -1.156  -9.650
  140   2HD   LYS  17          HD3       LYS  17  -5.740   0.134  -9.081
  141   1HE   LYS  17          HE2       LYS  17  -6.482   1.638 -10.821
  142   2HE   LYS  17          HE3       LYS  17  -7.341   0.345 -11.669
  143   1HZ   LYS  17          HZ1       LYS  17  -8.918   0.227  -9.871
  144   2HZ   LYS  17          HZ2       LYS  17  -8.078   1.278  -8.954
  145   3HZ   LYS  17          HZ3       LYS  17  -8.824   1.795 -10.327
  146    H    ILE  18           H        ILE  18  -3.514  -2.625  -6.823
  147    HA   ILE  18           HA       ILE  18  -1.570  -4.860  -7.322
  148    HB   ILE  18           HB       ILE  18  -1.902  -3.038  -4.892
  149   1HG1  ILE  18          HG12      ILE  18  -0.688  -1.831  -6.561
  150   2HG1  ILE  18          HG13      ILE  18   0.416  -2.344  -5.303
  151   1HG2  ILE  18          HG21      ILE  18  -0.200  -5.515  -5.279
  152   2HG2  ILE  18          HG22      ILE  18   0.183  -4.270  -4.073
  153   3HG2  ILE  18          HG23      ILE  18  -1.347  -5.141  -3.980
  154   1HD1  ILE  18          HD11      ILE  18   1.596  -2.681  -7.336
  155   2HD1  ILE  18          HD12      ILE  18   1.091  -4.290  -6.842
  156   3HD1  ILE  18          HD13      ILE  18   0.213  -3.450  -8.118
  157    H    ASP  19           H        ASP  19  -2.015  -6.829  -6.221
  158    HA   ASP  19           HA       ASP  19  -4.469  -6.950  -4.588
  159   1HB   ASP  19          HB2       ASP  19  -5.368  -8.834  -5.743
  160   2HB   ASP  19          HB3       ASP  19  -5.213  -7.475  -6.842
  161    H    ILE  20           H        ILE  20  -4.318  -8.135  -2.873
  162    HA   ILE  20           HA       ILE  20  -2.380 -10.307  -2.501
  163    HB   ILE  20           HB       ILE  20  -1.397  -9.463  -0.514
  164   1HG1  ILE  20          HG12      ILE  20  -3.020  -8.184   0.602
  165   2HG1  ILE  20          HG13      ILE  20  -1.634  -7.158   0.333
  166   1HG2  ILE  20          HG21      ILE  20   0.084  -7.708  -1.279
  167   2HG2  ILE  20          HG22      ILE  20  -0.237  -8.844  -2.587
  168   3HG2  ILE  20          HG23      ILE  20  -1.041  -7.265  -2.579
  169   1HD1  ILE  20          HD11      ILE  20  -2.937  -6.167  -1.675
  170   2HD1  ILE  20          HD12      ILE  20  -4.349  -7.028  -1.017
  171   3HD1  ILE  20          HD13      ILE  20  -3.534  -5.796  -0.051
  172    H    ASP  21           H        ASP  21  -2.813 -11.328  -0.198
  173    HA   ASP  21           HA       ASP  21  -5.604 -11.924   0.071
  174   1HB   ASP  21          HB2       ASP  21  -3.219 -12.372   1.883
  175   2HB   ASP  21          HB3       ASP  21  -4.845 -12.900   2.305
  176    HA   PRO  22           HA       PRO  22  -6.706  -8.232   2.476
  177   1HB   PRO  22          HB2       PRO  22  -9.304  -8.867   3.130
  178   2HB   PRO  22          HB3       PRO  22  -8.778  -8.278   1.531
  179   1HG   PRO  22          HG2       PRO  22  -9.215 -11.143   2.416
  180   2HG   PRO  22          HG3       PRO  22  -9.825 -10.342   0.933
  181   1HD   PRO  22          HD2       PRO  22  -7.598 -11.878   0.891
  182   2HD   PRO  22          HD3       PRO  22  -7.687 -10.363  -0.067
  183    H    GLU  23           H        GLU  23  -6.876 -11.516   3.672
  184    HA   GLU  23           HA       GLU  23  -7.055 -10.781   6.502
  185   1HB   GLU  23          HB2       GLU  23  -6.842 -13.172   6.904
  186   2HB   GLU  23          HB3       GLU  23  -8.091 -12.826   5.715
  187   1HG   GLU  23          HG2       GLU  23  -6.591 -13.503   3.881
  188   2HG   GLU  23          HG3       GLU  23  -5.269 -13.761   5.021
  189    H    GLU  24           H        GLU  24  -4.467 -10.514   4.338
  190    HA   GLU  24           HA       GLU  24  -2.410 -11.257   6.358
  191   1HB   GLU  24          HB2       GLU  24  -2.291 -12.215   4.070
  192   2HB   GLU  24          HB3       GLU  24  -2.193 -10.583   3.400
  193   1HG   GLU  24          HG2       GLU  24  -0.025 -11.653   3.453
  194   2HG   GLU  24          HG3       GLU  24  -0.049 -10.224   4.477
  195    H    THR  25           H        THR  25  -0.525  -9.674   6.521
  196    HA   THR  25           HA       THR  25  -1.700  -7.073   7.270
  197    HB   THR  25           HB       THR  25   0.317  -6.611   8.443
  198    HG1  THR  25           HG1      THR  25   2.044  -7.968   8.408
  199   1HG2  THR  25          HG21      THR  25  -1.314  -8.126   9.560
  200   2HG2  THR  25          HG22      THR  25  -0.399  -9.523   8.958
  201   3HG2  THR  25          HG23      THR  25   0.357  -8.384  10.091
  202    H    VAL  26           H        VAL  26  -0.475  -5.080   7.005
  203    HA   VAL  26           HA       VAL  26  -0.180  -4.317   4.319
  204    HB   VAL  26           HB       VAL  26   0.963  -3.038   6.813
  205   1HG1  VAL  26          HG11      VAL  26   2.149  -2.031   4.963
  206   2HG1  VAL  26          HG12      VAL  26   0.643  -1.862   4.031
  207   3HG1  VAL  26          HG13      VAL  26   0.912  -0.905   5.511
  208   1HG2  VAL  26          HG21      VAL  26  -1.554  -2.441   5.179
  209   2HG2  VAL  26          HG22      VAL  26  -1.531  -3.332   6.716
  210   3HG2  VAL  26          HG23      VAL  26  -1.047  -1.648   6.686
  211    H    LYS  27           H        LYS  27   2.288  -5.871   6.304
  212    HA   LYS  27           HA       LYS  27   4.652  -5.317   4.847
  213   1HB   LYS  27          HB2       LYS  27   3.683  -7.846   6.197
  214   2HB   LYS  27          HB3       LYS  27   5.264  -7.702   5.421
  215   1HG   LYS  27          HG2       LYS  27   5.831  -5.757   6.845
  216   2HG   LYS  27          HG3       LYS  27   4.242  -5.860   7.608
  217   1HD   LYS  27          HD2       LYS  27   5.853  -6.851   9.075
  218   2HD   LYS  27          HD3       LYS  27   4.805  -8.134   8.443
  219   1HE   LYS  27          HE2       LYS  27   6.557  -8.743   6.784
  220   2HE   LYS  27          HE3       LYS  27   7.582  -7.431   7.373
  221   1HZ   LYS  27          HZ1       LYS  27   6.716  -9.771   8.989
  222   2HZ   LYS  27          HZ2       LYS  27   8.205  -9.560   8.359
  223   3HZ   LYS  27          HZ3       LYS  27   7.671  -8.560   9.532
  224    H    ALA  28           H        ALA  28   2.049  -7.655   4.014
  225    HA   ALA  28           HA       ALA  28   3.421  -8.760   1.749
  226   1HB   ALA  28          HB1       ALA  28   0.447  -8.624   2.451
  227   2HB   ALA  28          HB2       ALA  28   1.170  -9.679   1.212
  228   3HB   ALA  28          HB3       ALA  28   1.599  -9.890   2.924
  229    H    LEU  29           H        LEU  29   1.066  -6.044   1.969
  230    HA   LEU  29           HA       LEU  29   0.898  -5.459  -0.840
  231   1HB   LEU  29          HB2       LEU  29  -0.766  -5.057   0.925
  232   2HB   LEU  29          HB3       LEU  29   0.319  -3.977   1.767
  233    HG   LEU  29           HG       LEU  29  -1.532  -3.015   0.567
  234   1HD1  LEU  29          HD11      LEU  29  -0.450  -1.015  -0.167
  235   2HD1  LEU  29          HD12      LEU  29   0.530  -1.696   1.146
  236   3HD1  LEU  29          HD13      LEU  29   1.051  -1.868  -0.543
  237   1HD2  LEU  29          HD21      LEU  29  -1.457  -4.387  -1.504
  238   2HD2  LEU  29          HD22      LEU  29  -1.545  -2.646  -1.830
  239   3HD2  LEU  29          HD23      LEU  29   0.005  -3.496  -1.994
  240    H    LYS  30           H        LYS  30   2.820  -4.108   1.888
  241    HA   LYS  30           HA       LYS  30   3.976  -2.113   0.128
  242   1HB   LYS  30          HB2       LYS  30   4.711  -1.061   2.108
  243   2HB   LYS  30          HB3       LYS  30   3.217  -1.852   2.557
  244   1HG   LYS  30          HG2       LYS  30   4.442  -2.534   4.355
  245   2HG   LYS  30          HG3       LYS  30   4.896  -3.829   3.258
  246   1HD   LYS  30          HD2       LYS  30   6.975  -3.175   4.042
  247   2HD   LYS  30          HD3       LYS  30   6.852  -2.224   2.558
  248   1HE   LYS  30          HE2       LYS  30   7.583  -0.610   4.073
  249   2HE   LYS  30          HE3       LYS  30   5.833  -0.358   4.074
  250   1HZ   LYS  30          HZ1       LYS  30   7.420  -1.821   6.117
  251   2HZ   LYS  30          HZ2       LYS  30   6.610  -0.427   6.337
  252   3HZ   LYS  30          HZ3       LYS  30   5.792  -1.823   6.123
  253    H    GLU  31           H        GLU  31   5.209  -5.183   1.361
  254    HA   GLU  31           HA       GLU  31   7.907  -4.687   0.372
  255   1HB   GLU  31          HB2       GLU  31   6.447  -7.267   1.075
  256   2HB   GLU  31          HB3       GLU  31   8.108  -7.190   0.489
  257   1HG   GLU  31          HG2       GLU  31   8.743  -5.720   2.384
  258   2HG   GLU  31          HG3       GLU  31   7.116  -5.833   3.032
  259    H    LYS  32           H        LYS  32   4.930  -6.157  -1.140
  260    HA   LYS  32           HA       LYS  32   6.391  -7.197  -3.346
  261   1HB   LYS  32          HB2       LYS  32   4.342  -7.826  -4.211
  262   2HB   LYS  32          HB3       LYS  32   4.063  -7.790  -2.486
  263   1HG   LYS  32          HG2       LYS  32   2.174  -6.667  -3.103
  264   2HG   LYS  32          HG3       LYS  32   3.257  -5.291  -2.977
  265   1HD   LYS  32          HD2       LYS  32   2.022  -5.066  -5.020
  266   2HD   LYS  32          HD3       LYS  32   3.649  -5.456  -5.497
  267   1HE   LYS  32          HE2       LYS  32   3.021  -7.876  -5.713
  268   2HE   LYS  32          HE3       LYS  32   1.352  -7.471  -5.311
  269   1HZ   LYS  32          HZ1       LYS  32   1.876  -7.640  -7.751
  270   2HZ   LYS  32          HZ2       LYS  32   1.213  -6.203  -7.349
  271   3HZ   LYS  32          HZ3       LYS  32   2.811  -6.295  -7.632
  272    H    ILE  33           H        ILE  33   5.027  -3.932  -2.918
  273    HA   ILE  33           HA       ILE  33   5.304  -3.255  -5.696
  274    HB   ILE  33           HB       ILE  33   4.741  -1.029  -5.157
  275   1HG1  ILE  33          HG12      ILE  33   4.065  -0.596  -2.621
  276   2HG1  ILE  33          HG13      ILE  33   5.384  -1.713  -2.295
  277   1HG2  ILE  33          HG21      ILE  33   3.088  -3.003  -3.551
  278   2HG2  ILE  33          HG22      ILE  33   2.554  -1.440  -4.149
  279   3HG2  ILE  33          HG23      ILE  33   2.997  -2.717  -5.298
  280   1HD1  ILE  33          HD11      ILE  33   6.936  -0.199  -3.524
  281   2HD1  ILE  33          HD12      ILE  33   5.564   0.850  -3.949
  282   3HD1  ILE  33          HD13      ILE  33   6.063   0.677  -2.257
  283    H    GLU  34           H        GLU  34   7.622  -3.212  -3.052
  284    HA   GLU  34           HA       GLU  34   9.585  -1.491  -4.275
  285   1HB   GLU  34          HB2       GLU  34   9.611  -2.275  -1.881
  286   2HB   GLU  34          HB3       GLU  34  10.050  -3.889  -2.464
  287   1HG   GLU  34          HG2       GLU  34  12.085  -2.837  -3.552
  288   2HG   GLU  34          HG3       GLU  34  11.677  -1.331  -2.743
  289    H    SER  35           H        SER  35   8.756  -4.964  -4.774
  290    HA   SER  35           HA       SER  35  11.008  -5.581  -6.457
  291   1HB   SER  35          HB2       SER  35   8.226  -6.805  -6.518
  292   2HB   SER  35          HB3       SER  35   9.703  -7.509  -7.184
  293    HG   SER  35           HG       SER  35  10.548  -7.642  -5.075
  294    H    GLU  36           H        GLU  36   8.137  -3.723  -7.094
  295    HA   GLU  36           HA       GLU  36   8.465  -3.917 -10.060
  296   1HB   GLU  36          HB2       GLU  36   6.261  -2.826  -8.280
  297   2HB   GLU  36          HB3       GLU  36   6.283  -2.676 -10.044
  298   1HG   GLU  36          HG2       GLU  36   6.408  -5.158 -10.258
  299   2HG   GLU  36          HG3       GLU  36   6.328  -5.312  -8.503
  300    H    LYS  37           H        LYS  37   8.506  -1.488  -7.436
  301    HA   LYS  37           HA       LYS  37   9.215   0.678  -9.360
  302   1HB   LYS  37          HB2       LYS  37   8.695   0.817  -6.371
  303   2HB   LYS  37          HB3       LYS  37   8.799   2.160  -7.509
  304   1HG   LYS  37          HG2       LYS  37   6.595   0.053  -7.488
  305   2HG   LYS  37          HG3       LYS  37   6.494   1.666  -6.791
  306   1HD   LYS  37          HD2       LYS  37   6.834   2.673  -9.042
  307   2HD   LYS  37          HD3       LYS  37   6.892   1.040  -9.749
  308   1HE   LYS  37          HE2       LYS  37   4.615   0.580  -8.879
  309   2HE   LYS  37          HE3       LYS  37   4.551   2.192  -8.158
  310   1HZ   LYS  37          HZ1       LYS  37   4.652   3.158 -10.376
  311   2HZ   LYS  37          HZ2       LYS  37   4.830   1.684 -11.073
  312   3HZ   LYS  37          HZ3       LYS  37   3.431   2.079 -10.328
  313    H    GLY  38           H        GLY  38  10.764  -1.341  -7.022
  314   1HA   GLY  38          HA2       GLY  38  13.031  -1.668  -6.681
  315   2HA   GLY  38          HA3       GLY  38  13.415  -0.171  -7.516
  316    H    LYS  39           H        LYS  39  14.469  -1.197  -5.021
  317    HA   LYS  39           HA       LYS  39  13.899   0.332  -2.700
  318   1HB   LYS  39          HB2       LYS  39  16.618  -0.330  -3.947
  319   2HB   LYS  39          HB3       LYS  39  16.389   0.341  -2.346
  320   1HG   LYS  39          HG2       LYS  39  16.875  -1.938  -2.133
  321   2HG   LYS  39          HG3       LYS  39  15.201  -1.678  -1.619
  322   1HD   LYS  39          HD2       LYS  39  14.335  -2.785  -3.534
  323   2HD   LYS  39          HD3       LYS  39  15.844  -2.600  -4.438
  324   1HE   LYS  39          HE2       LYS  39  15.543  -4.910  -3.788
  325   2HE   LYS  39          HE3       LYS  39  16.983  -4.209  -3.045
  326   1HZ   LYS  39          HZ1       LYS  39  15.645  -5.556  -1.476
  327   2HZ   LYS  39          HZ2       LYS  39  15.758  -4.008  -0.964
  328   3HZ   LYS  39          HZ3       LYS  39  14.370  -4.540  -1.642
  329    H    ASP  40           H        ASP  40  15.473   1.236  -5.651
  330    HA   ASP  40           HA       ASP  40  16.458   3.816  -5.069
  331   1HB   ASP  40          HB2       ASP  40  16.942   2.407  -7.074
  332   2HB   ASP  40          HB3       ASP  40  15.330   2.764  -7.692
  333    H    ALA  41           H        ALA  41  13.113   2.897  -5.344
  334    HA   ALA  41           HA       ALA  41  12.295   5.777  -5.357
  335   1HB   ALA  41          HB1       ALA  41  11.948   4.731  -7.569
  336   2HB   ALA  41          HB2       ALA  41  10.952   3.471  -6.807
  337   3HB   ALA  41          HB3       ALA  41  10.414   5.165  -6.786
  338    H    PHE  42           H        PHE  42  11.441   2.462  -4.199
  339    HA   PHE  42           HA       PHE  42   9.838   3.714  -2.014
  340   1HB   PHE  42          HB2       PHE  42   8.815   1.615  -3.945
  341   2HB   PHE  42          HB3       PHE  42   8.106   1.922  -2.363
  342    HD1  PHE  42           HD1      PHE  42   6.777   3.874  -1.875
  343    HD2  PHE  42           HD2      PHE  42   8.647   3.367  -5.715
  344    HE1  PHE  42           HE1      PHE  42   5.503   5.821  -2.750
  345    HE2  PHE  42           HE2      PHE  42   7.353   5.300  -6.607
  346    HZ   PHE  42           HZ       PHE  42   5.815   6.553  -5.107
  347    HA   PRO  43           HA       PRO  43  12.729   0.350  -0.587
  348   1HB   PRO  43          HB2       PRO  43  13.989   1.690   1.412
  349   2HB   PRO  43          HB3       PRO  43  14.491   1.784  -0.304
  350   1HG   PRO  43          HG2       PRO  43  12.748   3.706   1.242
  351   2HG   PRO  43          HG3       PRO  43  14.137   4.085   0.168
  352   1HD   PRO  43          HD2       PRO  43  11.524   4.228  -0.651
  353   2HD   PRO  43          HD3       PRO  43  12.837   3.749  -1.761
  354    H    VAL  44           H        VAL  44  11.881  -1.111   0.822
  355    HA   VAL  44           HA       VAL  44   9.607  -0.712   2.476
  356    HB   VAL  44           HB       VAL  44  11.800  -2.798   2.509
  357   1HG1  VAL  44          HG11      VAL  44   9.237  -2.764   4.152
  358   2HG1  VAL  44          HG12      VAL  44  10.208  -4.218   3.842
  359   3HG1  VAL  44          HG13      VAL  44  10.898  -2.878   4.762
  360   1HG2  VAL  44          HG21      VAL  44   8.870  -2.930   1.659
  361   2HG2  VAL  44          HG22      VAL  44  10.203  -2.625   0.539
  362   3HG2  VAL  44          HG23      VAL  44  10.131  -4.161   1.401
  363    H    ALA  45           H        ALA  45  12.991  -0.183   3.256
  364    HA   ALA  45           HA       ALA  45  12.708   0.223   6.078
  365   1HB   ALA  45          HB1       ALA  45  14.994   1.122   5.851
  366   2HB   ALA  45          HB2       ALA  45  14.812  -0.367   4.907
  367   3HB   ALA  45          HB3       ALA  45  14.793   1.215   4.087
  368    H    GLY  46           H        GLY  46  11.622   2.278   3.537
  369   1HA   GLY  46          HA2       GLY  46  11.591   4.680   5.342
  370   2HA   GLY  46          HA3       GLY  46  12.291   4.758   3.729
  371    H    GLN  47           H        GLN  47   9.823   2.819   2.971
  372    HA   GLN  47           HA       GLN  47   8.074   5.009   2.205
  373   1HB   GLN  47          HB2       GLN  47   6.705   3.391   1.115
  374   2HB   GLN  47          HB3       GLN  47   8.399   3.075   0.747
  375   1HG   GLN  47          HG2       GLN  47   8.428   1.206   2.356
  376   2HG   GLN  47          HG3       GLN  47   6.771   1.560   2.836
  377   1HE2  GLN  47          HE21      GLN  47   8.722  -0.128   0.441
  378   2HE2  GLN  47          HE22      GLN  47   7.299  -0.847  -0.303
  379    H    LYS  48           H        LYS  48   5.897   5.300   2.695
  380    HA   LYS  48           HA       LYS  48   4.698   4.168   5.174
  381   1HB   LYS  48          HB2       LYS  48   5.876   6.268   5.742
  382   2HB   LYS  48          HB3       LYS  48   4.991   7.125   4.478
  383   1HG   LYS  48          HG2       LYS  48   2.866   6.762   5.671
  384   2HG   LYS  48          HG3       LYS  48   3.699   5.767   6.887
  385   1HD   LYS  48          HD2       LYS  48   5.084   7.737   7.506
  386   2HD   LYS  48          HD3       LYS  48   4.202   8.720   6.314
  387   1HE   LYS  48          HE2       LYS  48   2.070   8.266   7.516
  388   2HE   LYS  48          HE3       LYS  48   2.933   7.241   8.669
  389   1HZ   LYS  48          HZ1       LYS  48   4.227   9.244   9.317
  390   2HZ   LYS  48          HZ2       LYS  48   3.286  10.180   8.348
  391   3HZ   LYS  48          HZ3       LYS  48   2.634   9.410   9.621
  392    H    LEU  49           H        LEU  49   2.361   4.358   5.171
  393    HA   LEU  49           HA       LEU  49   1.097   4.665   2.490
  394   1HB   LEU  49          HB2       LEU  49   2.035   2.351   3.042
  395   2HB   LEU  49          HB3       LEU  49   0.966   2.316   4.441
  396    HG   LEU  49           HG       LEU  49  -0.969   2.603   2.846
  397   1HD1  LEU  49          HD11      LEU  49  -0.501   1.869   0.460
  398   2HD1  LEU  49          HD12      LEU  49   0.155   3.460   0.865
  399   3HD1  LEU  49          HD13      LEU  49   1.227   2.040   0.799
  400   1HD2  LEU  49          HD21      LEU  49  -0.920   0.218   2.139
  401   2HD2  LEU  49          HD22      LEU  49   0.828   0.167   2.488
  402   3HD2  LEU  49          HD23      LEU  49  -0.340   0.418   3.800
  403    H    ILE  50           H        ILE  50  -0.971   5.463   2.585
  404    HA   ILE  50           HA       ILE  50  -2.426   5.708   5.189
  405    HB   ILE  50           HB       ILE  50  -1.694   7.856   3.165
  406   1HG1  ILE  50          HG12      ILE  50  -0.099   7.564   5.038
  407   2HG1  ILE  50          HG13      ILE  50  -0.869   9.140   5.026
  408   1HG2  ILE  50          HG21      ILE  50  -4.013   8.290   3.453
  409   2HG2  ILE  50          HG22      ILE  50  -3.929   7.985   5.212
  410   3HG2  ILE  50          HG23      ILE  50  -3.175   9.429   4.499
  411   1HD1  ILE  50          HD11      ILE  50  -1.552   6.830   6.876
  412   2HD1  ILE  50          HD12      ILE  50  -0.741   8.340   7.311
  413   3HD1  ILE  50          HD13      ILE  50  -2.454   8.357   6.837
  414    H    TYR  51           H        TYR  51  -4.600   5.410   5.079
  415    HA   TYR  51           HA       TYR  51  -5.880   5.338   2.369
  416   1HB   TYR  51          HB2       TYR  51  -5.824   3.112   3.328
  417   2HB   TYR  51          HB3       TYR  51  -6.615   3.699   4.789
  418    HD1  TYR  51           HD1      TYR  51  -8.687   2.606   4.857
  419    HD2  TYR  51           HD2      TYR  51  -7.408   4.363   1.128
  420    HE1  TYR  51           HE1      TYR  51 -10.937   2.196   3.883
  421    HE2  TYR  51           HE2      TYR  51  -9.610   3.867   0.136
  422    HH   TYR  51           HH       TYR  51 -12.263   2.345   2.020
  423    H    ALA  52           H        ALA  52  -6.171   7.519   2.400
  424    HA   ALA  52           HA       ALA  52  -7.233   9.479   2.658
  425   1HB   ALA  52          HB1       ALA  52  -9.605   7.687   3.292
  426   2HB   ALA  52          HB2       ALA  52  -9.664   9.339   2.643
  427   3HB   ALA  52          HB3       ALA  52  -8.968   8.034   1.669
  428    H    GLY  53           H        GLY  53  -5.869   8.635   5.075
  429   1HA   GLY  53          HA2       GLY  53  -5.680  10.377   6.856
  430   2HA   GLY  53          HA3       GLY  53  -7.396  10.144   7.186
  431    H    LYS  54           H        LYS  54  -6.364   7.106   6.548
  432    HA   LYS  54           HA       LYS  54  -6.034   6.398   9.429
  433   1HB   LYS  54          HB2       LYS  54  -6.602   4.620   7.016
  434   2HB   LYS  54          HB3       LYS  54  -6.692   4.149   8.717
  435   1HG   LYS  54          HG2       LYS  54  -8.606   5.694   9.053
  436   2HG   LYS  54          HG3       LYS  54  -8.480   6.221   7.375
  437   1HD   LYS  54          HD2       LYS  54  -8.728   3.590   6.877
  438   2HD   LYS  54          HD3       LYS  54  -9.464   3.601   8.477
  439   1HE   LYS  54          HE2       LYS  54 -11.267   3.913   6.956
  440   2HE   LYS  54          HE3       LYS  54 -10.961   5.502   7.662
  441   1HZ   LYS  54          HZ1       LYS  54  -9.554   5.930   5.598
  442   2HZ   LYS  54          HZ2       LYS  54 -10.152   4.559   4.963
  443   3HZ   LYS  54          HZ3       LYS  54 -11.168   5.788   5.312
  444    H    ILE  55           H        ILE  55  -4.272   5.320  10.168
  445    HA   ILE  55           HA       ILE  55  -1.879   5.402   8.414
  446    HB   ILE  55           HB       ILE  55  -2.050   5.251  11.444
  447   1HG1  ILE  55          HG12      ILE  55  -1.436   7.651   9.650
  448   2HG1  ILE  55          HG13      ILE  55  -2.968   7.396  10.482
  449   1HG2  ILE  55          HG21      ILE  55   0.060   4.312  10.472
  450   2HG2  ILE  55          HG22      ILE  55   0.311   5.825   9.577
  451   3HG2  ILE  55          HG23      ILE  55   0.365   5.797  11.354
  452   1HD1  ILE  55          HD11      ILE  55  -1.789   7.442  12.674
  453   2HD1  ILE  55          HD12      ILE  55  -0.295   7.907  11.817
  454   3HD1  ILE  55          HD13      ILE  55  -1.716   8.959  11.758
  455    H    LEU  56           H        LEU  56  -1.829   3.584   7.306
  456    HA   LEU  56           HA       LEU  56  -2.648   1.002   8.269
  457   1HB   LEU  56          HB2       LEU  56  -1.414   2.155   5.775
  458   2HB   LEU  56          HB3       LEU  56  -1.304   0.425   6.020
  459    HG   LEU  56           HG       LEU  56  -3.697   0.178   6.177
  460   1HD1  LEU  56          HD11      LEU  56  -4.414   2.279   7.231
  461   2HD1  LEU  56          HD12      LEU  56  -3.931   3.186   5.777
  462   3HD1  LEU  56          HD13      LEU  56  -5.274   2.017   5.725
  463   1HD2  LEU  56          HD21      LEU  56  -2.938   1.915   3.802
  464   2HD2  LEU  56          HD22      LEU  56  -2.734   0.146   3.938
  465   3HD2  LEU  56          HD23      LEU  56  -4.351   0.856   3.897
  466    H    ASN  57           H        ASN  57  -1.496  -0.807   8.827
  467    HA   ASN  57           HA       ASN  57   1.141  -0.231  10.101
  468   1HB   ASN  57          HB2       ASN  57  -0.780   0.088  11.598
  469   2HB   ASN  57          HB3       ASN  57  -1.421  -1.487  11.173
  470   1HD2  ASN  57          HD21      ASN  57  -1.193  -2.769  13.039
  471   2HD2  ASN  57          HD22      ASN  57   0.308  -2.841  13.945
  472    H    ASP  58           H        ASP  58   2.675  -1.730  10.035
  473    HA   ASP  58           HA       ASP  58   2.590  -3.957   8.281
  474   1HB   ASP  58          HB2       ASP  58   4.535  -3.117  10.457
  475   2HB   ASP  58          HB3       ASP  58   4.848  -4.450   9.356
  476    H    ASP  59           H        ASP  59   1.363  -3.886  11.454
  477    HA   ASP  59           HA       ASP  59   1.538  -6.858  11.729
  478   1HB   ASP  59          HB2       ASP  59   2.852  -5.448  13.351
  479   2HB   ASP  59          HB3       ASP  59   1.327  -4.786  13.936
  480    H    THR  60           H        THR  60  -0.644  -4.809  10.565
  481    HA   THR  60           HA       THR  60  -2.976  -6.234  11.780
  482    HB   THR  60           HB       THR  60  -2.743  -3.277  11.189
  483    HG1  THR  60           HG1      THR  60  -3.187  -4.647  13.607
  484   1HG2  THR  60          HG21      THR  60  -5.140  -4.887  12.130
  485   2HG2  THR  60          HG22      THR  60  -5.023  -3.110  12.164
  486   3HG2  THR  60          HG23      THR  60  -4.998  -3.959  10.615
  487    H    ALA  61           H        ALA  61  -4.536  -6.877  10.387
  488    HA   ALA  61           HA       ALA  61  -3.633  -7.352   7.715
  489   1HB   ALA  61          HB1       ALA  61  -5.651  -8.713   7.540
  490   2HB   ALA  61          HB2       ALA  61  -4.796  -9.027   9.066
  491   3HB   ALA  61          HB3       ALA  61  -6.256  -8.001   9.052
  492    H    LEU  62           H        LEU  62  -4.518  -6.843   5.729
  493    HA   LEU  62           HA       LEU  62  -5.277  -4.275   5.129
  494   1HB   LEU  62          HB2       LEU  62  -5.396  -6.947   3.809
  495   2HB   LEU  62          HB3       LEU  62  -6.337  -5.687   3.049
  496    HG   LEU  62           HG       LEU  62  -4.019  -6.099   2.194
  497   1HD1  LEU  62          HD11      LEU  62  -5.320  -4.052   1.670
  498   2HD1  LEU  62          HD12      LEU  62  -4.626  -3.253   3.102
  499   3HD1  LEU  62          HD13      LEU  62  -3.584  -3.718   1.742
  500   1HD2  LEU  62          HD21      LEU  62  -2.117  -4.973   3.190
  501   2HD2  LEU  62          HD22      LEU  62  -3.070  -4.543   4.623
  502   3HD2  LEU  62          HD23      LEU  62  -2.722  -6.246   4.244
  503    H    LYS  63           H        LYS  63  -7.627  -6.935   5.751
  504    HA   LYS  63           HA       LYS  63  -9.879  -5.316   5.048
  505   1HB   LYS  63          HB2       LYS  63 -11.204  -7.070   5.503
  506   2HB   LYS  63          HB3       LYS  63  -9.690  -7.872   5.158
  507   1HG   LYS  63          HG2       LYS  63 -10.993  -7.445   7.874
  508   2HG   LYS  63          HG3       LYS  63 -10.844  -8.949   6.974
  509   1HD   LYS  63          HD2       LYS  63  -8.374  -8.902   7.296
  510   2HD   LYS  63          HD3       LYS  63  -8.543  -7.420   8.263
  511   1HE   LYS  63          HE2       LYS  63 -10.141  -8.648   9.779
  512   2HE   LYS  63          HE3       LYS  63  -9.907 -10.108   8.820
  513   1HZ   LYS  63          HZ1       LYS  63  -7.819  -8.746  10.458
  514   2HZ   LYS  63          HZ2       LYS  63  -8.532 -10.170  10.781
  515   3HZ   LYS  63          HZ3       LYS  63  -7.539 -10.059   9.497
  516    H    GLU  64           H        GLU  64  -8.114  -5.235   8.027
  517    HA   GLU  64           HA       GLU  64 -10.366  -4.277   9.658
  518   1HB   GLU  64          HB2       GLU  64  -7.391  -4.611  10.109
  519   2HB   GLU  64          HB3       GLU  64  -8.397  -3.736  11.270
  520   1HG   GLU  64          HG2       GLU  64  -9.785  -5.620  11.702
  521   2HG   GLU  64          HG3       GLU  64  -9.177  -6.504  10.312
  522    H    TYR  65           H        TYR  65  -8.171  -2.789   7.457
  523    HA   TYR  65           HA       TYR  65  -8.737  -0.045   8.421
  524   1HB   TYR  65          HB2       TYR  65  -7.580  -0.794   5.742
  525   2HB   TYR  65          HB3       TYR  65  -7.425   0.730   6.601
  526    HD1  TYR  65           HD1      TYR  65  -5.872  -2.319   5.811
  527    HD2  TYR  65           HD2      TYR  65  -6.193   0.555   9.014
  528    HE1  TYR  65           HE1      TYR  65  -3.829  -3.278   6.882
  529    HE2  TYR  65           HE2      TYR  65  -4.123  -0.365  10.031
  530    HH   TYR  65           HH       TYR  65  -2.380  -3.137   8.629
  531    H    LYS  66           H        LYS  66 -10.570  -2.339   6.883
  532    HA   LYS  66           HA       LYS  66 -12.294  -2.476   5.424
  533   1HB   LYS  66          HB2       LYS  66 -12.989   0.210   6.658
  534   2HB   LYS  66          HB3       LYS  66 -14.105  -0.855   5.791
  535   1HG   LYS  66          HG2       LYS  66 -13.646  -2.665   7.459
  536   2HG   LYS  66          HG3       LYS  66 -12.661  -1.535   8.394
  537   1HD   LYS  66          HD2       LYS  66 -15.622  -1.184   7.755
  538   2HD   LYS  66          HD3       LYS  66 -14.961  -1.795   9.278
  539   1HE   LYS  66          HE2       LYS  66 -13.745   0.357   9.610
  540   2HE   LYS  66          HE3       LYS  66 -14.455   0.981   8.115
  541   1HZ   LYS  66          HZ1       LYS  66 -15.728   1.686  10.056
  542   2HZ   LYS  66          HZ2       LYS  66 -16.658   0.717   9.130
  543   3HZ   LYS  66          HZ3       LYS  66 -15.999   0.145  10.513
  544    H    ILE  67           H        ILE  67 -10.096  -1.849   4.022
  545    HA   ILE  67           HA       ILE  67 -10.438   0.367   2.200
  546    HB   ILE  67           HB       ILE  67  -8.830  -2.108   1.596
  547   1HG1  ILE  67          HG12      ILE  67  -8.162   0.198   3.451
  548   2HG1  ILE  67          HG13      ILE  67  -8.123  -1.545   3.762
  549   1HG2  ILE  67          HG21      ILE  67  -8.498   0.843   0.816
  550   2HG2  ILE  67          HG22      ILE  67  -7.476  -0.497   0.284
  551   3HG2  ILE  67          HG23      ILE  67  -9.132  -0.432  -0.256
  552   1HD1  ILE  67          HD11      ILE  67  -6.254  -1.704   2.058
  553   2HD1  ILE  67          HD12      ILE  67  -6.186   0.077   2.122
  554   3HD1  ILE  67          HD13      ILE  67  -5.880  -0.878   3.589
  555    H    ASP  68           H        ASP  68 -11.201   0.345   0.067
  556    HA   ASP  68           HA       ASP  68 -13.033  -1.906  -0.688
  557   1HB   ASP  68          HB2       ASP  68 -14.236   0.076   0.217
  558   2HB   ASP  68          HB3       ASP  68 -13.501   1.078  -1.039
  559    H    GLU  69           H        GLU  69 -13.022  -2.557  -2.793
  560    HA   GLU  69           HA       GLU  69 -10.611  -2.160  -4.235
  561   1HB   GLU  69          HB2       GLU  69 -13.165  -3.423  -5.293
  562   2HB   GLU  69          HB3       GLU  69 -11.510  -3.694  -5.852
  563   1HG   GLU  69          HG2       GLU  69 -11.024  -4.561  -3.454
  564   2HG   GLU  69          HG3       GLU  69 -12.768  -4.589  -3.233
  565    H    LYS  70           H        LYS  70 -13.418  -0.210  -4.331
  566    HA   LYS  70           HA       LYS  70 -12.852   0.918  -7.043
  567   1HB   LYS  70          HB2       LYS  70 -15.093   1.538  -5.116
  568   2HB   LYS  70          HB3       LYS  70 -14.922   2.072  -6.791
  569   1HG   LYS  70          HG2       LYS  70 -14.961  -0.347  -7.527
  570   2HG   LYS  70          HG3       LYS  70 -15.307  -0.809  -5.839
  571   1HD   LYS  70          HD2       LYS  70 -17.262   0.712  -5.858
  572   2HD   LYS  70          HD3       LYS  70 -16.936   1.058  -7.577
  573   1HE   LYS  70          HE2       LYS  70 -17.213  -1.365  -8.103
  574   2HE   LYS  70          HE3       LYS  70 -17.524  -1.704  -6.395
  575   1HZ   LYS  70          HZ1       LYS  70 -19.517  -0.304  -6.551
  576   2HZ   LYS  70          HZ2       LYS  70 -19.229   0.008  -8.130
  577   3HZ   LYS  70          HZ3       LYS  70 -19.596  -1.508  -7.649
  578    H    ASN  71           H        ASN  71 -12.038   1.504  -3.800
  579    HA   ASN  71           HA       ASN  71 -11.585   4.430  -4.189
  580   1HB   ASN  71          HB2       ASN  71 -12.824   3.356  -2.134
  581   2HB   ASN  71          HB3       ASN  71 -11.201   2.925  -1.587
  582   1HD2  ASN  71          HD21      ASN  71 -12.161   4.383   0.222
  583   2HD2  ASN  71          HD22      ASN  71 -11.840   6.107   0.048
  584    H    PHE  72           H        PHE  72  -9.494   5.198  -2.986
  585    HA   PHE  72           HA       PHE  72  -7.205   3.401  -3.577
  586   1HB   PHE  72          HB2       PHE  72  -5.981   5.224  -4.656
  587   2HB   PHE  72          HB3       PHE  72  -7.418   4.755  -5.531
  588    HD1  PHE  72           HD1      PHE  72  -6.299   7.350  -3.001
  589    HD2  PHE  72           HD2      PHE  72  -8.761   6.413  -6.422
  590    HE1  PHE  72           HE1      PHE  72  -7.005   9.718  -3.148
  591    HE2  PHE  72           HE2      PHE  72  -9.403   8.793  -6.607
  592    HZ   PHE  72           HZ       PHE  72  -8.559  10.454  -4.949
  593    H    VAL  73           H        VAL  73  -5.193   4.015  -2.720
  594    HA   VAL  73           HA       VAL  73  -5.264   5.477  -0.144
  595    HB   VAL  73           HB       VAL  73  -4.710   3.734   1.024
  596   1HG1  VAL  73          HG11      VAL  73  -5.147   1.469   0.325
  597   2HG1  VAL  73          HG12      VAL  73  -6.402   2.555  -0.272
  598   3HG1  VAL  73          HG13      VAL  73  -5.137   1.971  -1.378
  599   1HG2  VAL  73          HG21      VAL  73  -2.915   2.099   0.553
  600   2HG2  VAL  73          HG22      VAL  73  -2.687   2.844  -1.045
  601   3HG2  VAL  73          HG23      VAL  73  -2.363   3.766   0.444
  602    H    VAL  74           H        VAL  74  -3.159   6.374   0.457
  603    HA   VAL  74           HA       VAL  74  -1.562   7.100  -1.970
  604    HB   VAL  74           HB       VAL  74  -1.754   8.718   0.586
  605   1HG1  VAL  74          HG11      VAL  74  -0.946  10.541  -0.939
  606   2HG1  VAL  74          HG12      VAL  74   0.220   9.231  -0.798
  607   3HG1  VAL  74          HG13      VAL  74  -0.796   9.353  -2.251
  608   1HG2  VAL  74          HG21      VAL  74  -3.261  10.245  -0.676
  609   2HG2  VAL  74          HG22      VAL  74  -3.353   9.050  -1.988
  610   3HG2  VAL  74          HG23      VAL  74  -4.009   8.678  -0.380
  611    H    VAL  75           H        VAL  75   0.637   6.956  -1.929
  612    HA   VAL  75           HA       VAL  75   1.960   5.715   0.455
  613    HB   VAL  75           HB       VAL  75   3.066   5.494  -2.328
  614   1HG1  VAL  75          HG11      VAL  75   4.468   4.799  -0.416
  615   2HG1  VAL  75          HG12      VAL  75   3.203   3.661   0.095
  616   3HG1  VAL  75          HG13      VAL  75   4.056   3.425  -1.444
  617   1HG2  VAL  75          HG21      VAL  75   0.975   3.581  -1.249
  618   2HG2  VAL  75          HG22      VAL  75   0.843   4.590  -2.699
  619   3HG2  VAL  75          HG23      VAL  75   2.020   3.281  -2.650
  620    H    MET  76           H        MET  76   3.827   6.580   1.175
  621    HA   MET  76           HA       MET  76   5.019   8.998  -0.135
  622   1HB   MET  76          HB2       MET  76   4.487   8.668   2.853
  623   2HB   MET  76          HB3       MET  76   5.222  10.045   2.044
  624   1HG   MET  76          HG2       MET  76   3.114  10.801   2.461
  625   2HG   MET  76          HG3       MET  76   2.972  10.280   0.788
  626   1HE   MET  76          HE1       MET  76  -0.577   9.787   2.450
  627   2HE   MET  76          HE2       MET  76   0.627  10.977   2.983
  628   3HE   MET  76          HE3       MET  76   0.382  10.680   1.249
  629    H    VAL  77           H        VAL  77   7.279   9.416   0.629
  630    HA   VAL  77           HA       VAL  77   8.660   7.115   1.916
  631    HB   VAL  77           HB       VAL  77   9.556   8.306  -0.741
  632   1HG1  VAL  77          HG11      VAL  77  11.495   7.668   0.648
  633   2HG1  VAL  77          HG12      VAL  77  10.771   6.070   0.950
  634   3HG1  VAL  77          HG13      VAL  77  11.294   6.543  -0.686
  635   1HG2  VAL  77          HG21      VAL  77   8.487   5.522  -0.092
  636   2HG2  VAL  77          HG22      VAL  77   7.700   6.746  -1.115
  637   3HG2  VAL  77          HG23      VAL  77   9.207   6.017  -1.633
  638    H    THR  78           H        THR  78  10.229   7.690   3.281
  639    HA   THR  78           HA       THR  78  11.770  10.121   2.792
  640    HB   THR  78           HB       THR  78  10.040  10.911   4.380
  641    HG1  THR  78           HG1      THR  78  11.915  11.447   5.970
  642   1HG2  THR  78          HG21      THR  78  11.408   9.110   6.427
  643   2HG2  THR  78          HG22      THR  78  10.108  10.285   6.712
  644   3HG2  THR  78          HG23      THR  78   9.783   8.829   5.760
  645    H    LYS  79           H        LYS  79  13.753  10.181   4.007
  646    HA   LYS  79           HA       LYS  79  14.720   7.700   5.219
  647   1HB   LYS  79          HB2       LYS  79  15.186   8.178   2.425
  648   2HB   LYS  79          HB3       LYS  79  16.730   8.388   3.234
  649   1HG   LYS  79          HG2       LYS  79  14.912   5.953   3.520
  650   2HG   LYS  79          HG3       LYS  79  16.299   6.070   2.433
  651   1HD   LYS  79          HD2       LYS  79  17.814   6.385   4.376
  652   2HD   LYS  79          HD3       LYS  79  16.432   6.225   5.481
  653   1HE   LYS  79          HE2       LYS  79  15.971   3.958   4.584
  654   2HE   LYS  79          HE3       LYS  79  17.349   4.109   3.485
  655   1HZ   LYS  79          HZ1       LYS  79  18.799   4.292   5.442
  656   2HZ   LYS  79          HZ2       LYS  79  17.525   4.144   6.454
  657   3HZ   LYS  79          HZ3       LYS  79  17.960   2.896   5.499
  658    HA   PRO  80           HA       PRO  80  18.001  10.922   6.135
  659   1HB   PRO  80          HB2       PRO  80  17.899  13.532   5.377
  660   2HB   PRO  80          HB3       PRO  80  18.444  12.228   4.280
  661   1HG   PRO  80          HG2       PRO  80  15.682  13.473   4.456
  662   2HG   PRO  80          HG3       PRO  80  16.683  13.208   2.993
  663   1HD   PRO  80          HD2       PRO  80  14.731  11.489   3.752
  664   2HD   PRO  80          HD3       PRO  80  16.240  10.896   2.994
  665    H    LYS  81           H        LYS  81  14.682  11.880   6.493
  666    HA   LYS  81           HA       LYS  81  15.084  12.647   9.325
  667   1HB   LYS  81          HB2       LYS  81  13.738  14.459   7.255
  668   2HB   LYS  81          HB3       LYS  81  13.602  14.688   8.994
  669   1HG   LYS  81          HG2       LYS  81  16.190  14.875   7.410
  670   2HG   LYS  81          HG3       LYS  81  15.210  16.231   7.943
  671   1HD   LYS  81          HD2       LYS  81  15.584  15.739  10.279
  672   2HD   LYS  81          HD3       LYS  81  16.436  14.241   9.911
  673   1HE   LYS  81          HE2       LYS  81  17.390  17.016   9.088
  674   2HE   LYS  81          HE3       LYS  81  17.925  16.142  10.527
  675   1HZ   LYS  81          HZ1       LYS  81  18.684  14.337   9.009
  676   2HZ   LYS  81          HZ2       LYS  81  18.349  15.277   7.723
  677   3HZ   LYS  81          HZ3       LYS  81  19.498  15.742   8.784
  678    H    ALA  82           H        ALA  82  13.309  12.386  10.624
  679    HA   ALA  82           HA       ALA  82  11.087  10.738   9.656
  680   1HB   ALA  82          HB1       ALA  82  10.379  10.831  12.019
  681   2HB   ALA  82          HB2       ALA  82  12.076  10.342  11.865
  682   3HB   ALA  82          HB3       ALA  82  11.669  11.996  12.373
  683    H    VAL  83           H        VAL  83   9.695  11.774   8.337
  684    HA   VAL  83           HA       VAL  83   8.277  14.215   9.297
  685    HB   VAL  83           HB       VAL  83   8.280  15.156   7.023
  686   1HG1  VAL  83          HG11      VAL  83   9.928  15.932   8.703
  687   2HG1  VAL  83          HG12      VAL  83  11.109  14.769   8.061
  688   3HG1  VAL  83          HG13      VAL  83  10.510  16.087   7.035
  689   1HG2  VAL  83          HG21      VAL  83  10.405  13.086   6.343
  690   2HG2  VAL  83          HG22      VAL  83   8.749  13.105   5.695
  691   3HG2  VAL  83          HG23      VAL  83   9.864  14.426   5.319
  692    H    SER  84           H        SER  84   6.249  14.628   8.218
  693    HA   SER  84           HA       SER  84   4.894  12.250   7.054
  694   1HB   SER  84          HB2       SER  84   4.477  12.593   9.587
  695   2HB   SER  84          HB3       SER  84   3.520  14.005   9.092
  696    HG   SER  84           HG       SER  84   2.108  12.320   9.078
  697    H    THR  85           H        THR  85   2.882  12.759   5.957
  698    HA   THR  85           HA       THR  85   2.752  15.479   4.715
  699    HB   THR  85           HB       THR  85   2.709  12.864   3.172
  700    HG1  THR  85           HG1      THR  85   4.711  13.573   2.405
  701   1HG2  THR  85          HG21      THR  85   2.863  14.354   1.184
  702   2HG2  THR  85          HG22      THR  85   1.368  14.625   2.080
  703   3HG2  THR  85          HG23      THR  85   2.714  15.775   2.244
  Start of MODEL   13
    1   1H    GLY   1           H1       GLY   1 -12.435 -11.606  -1.534
    2   2H    GLY   1           H2       GLY   1 -13.237 -11.801  -2.949
    3   3H    GLY   1           H3       GLY   1 -11.598 -11.725  -2.936
    4   1HA   GLY   1          HA2       GLY   1 -13.215 -13.868  -1.697
    5   2HA   GLY   1          HA3       GLY   1 -12.352 -14.011  -3.242
    6    H    SER   2           H        SER   2 -10.733 -15.470  -2.789
    7    HA   SER   2           HA       SER   2  -9.189 -15.646  -0.416
    8   1HB   SER   2          HB2       SER   2  -8.326 -16.337  -3.249
    9   2HB   SER   2          HB3       SER   2  -7.627 -16.961  -1.742
   10    HG   SER   2           HG       SER   2  -9.150 -18.421  -2.659
   11    H    HIS   3           H        HIS   3  -8.903 -13.405  -3.078
   12    HA   HIS   3           HA       HIS   3  -6.756 -11.934  -1.630
   13   1HB   HIS   3          HB2       HIS   3  -6.985 -12.347  -4.632
   14   2HB   HIS   3          HB3       HIS   3  -5.964 -11.136  -3.875
   15    HD1  HIS   3           HD1      HIS   3  -5.410 -13.994  -1.696
   16    HD2  HIS   3           HD2      HIS   3  -4.330 -12.882  -5.610
   17    HE1  HIS   3           HE1      HIS   3  -3.314 -15.318  -2.259
   18    H    MET   4           H        MET   4  -6.787  -9.621  -2.191
   19    HA   MET   4           HA       MET   4  -9.306  -8.527  -3.304
   20   1HB   MET   4          HB2       MET   4  -9.517  -6.878  -1.578
   21   2HB   MET   4          HB3       MET   4  -9.555  -8.471  -0.829
   22   1HG   MET   4          HG2       MET   4  -7.224  -8.226  -0.103
   23   2HG   MET   4          HG3       MET   4  -7.089  -6.670  -0.918
   24   1HE   MET   4          HE1       MET   4  -8.048  -4.396  -0.062
   25   2HE   MET   4          HE2       MET   4  -9.696  -5.044  -0.254
   26   3HE   MET   4          HE3       MET   4  -9.224  -4.267   1.265
   27    H    GLN   5           H        GLN   5  -9.047  -6.339  -4.107
   28    HA   GLN   5           HA       GLN   5  -6.261  -5.792  -5.023
   29   1HB   GLN   5          HB2       GLN   5  -7.774  -6.692  -6.718
   30   2HB   GLN   5          HB3       GLN   5  -8.946  -5.405  -6.395
   31   1HG   GLN   5          HG2       GLN   5  -7.268  -3.721  -7.179
   32   2HG   GLN   5          HG3       GLN   5  -6.142  -5.039  -7.530
   33   1HE2  GLN   5          HE21      GLN   5  -8.936  -3.268  -8.701
   34   2HE2  GLN   5          HE22      GLN   5  -9.099  -4.192 -10.188
   35    H    VAL   6           H        VAL   6  -5.479  -3.693  -5.020
   36    HA   VAL   6           HA       VAL   6  -7.235  -1.533  -3.901
   37    HB   VAL   6           HB       VAL   6  -4.397  -2.102  -2.960
   38   1HG1  VAL   6          HG11      VAL   6  -6.533  -0.158  -1.971
   39   2HG1  VAL   6          HG12      VAL   6  -4.980  -0.481  -1.165
   40   3HG1  VAL   6          HG13      VAL   6  -5.000   0.272  -2.750
   41   1HG2  VAL   6          HG21      VAL   6  -5.848  -3.862  -2.045
   42   2HG2  VAL   6          HG22      VAL   6  -5.450  -2.713  -0.772
   43   3HG2  VAL   6          HG23      VAL   6  -7.048  -2.646  -1.543
   44    H    THR   7           H        THR   7  -6.645   0.583  -4.456
   45    HA   THR   7           HA       THR   7  -4.966   0.871  -6.918
   46    HB   THR   7           HB       THR   7  -7.171   2.656  -5.814
   47    HG1  THR   7           HG1      THR   7  -8.110   0.884  -6.654
   48   1HG2  THR   7          HG21      THR   7  -7.055   3.707  -8.087
   49   2HG2  THR   7          HG22      THR   7  -5.622   4.000  -7.096
   50   3HG2  THR   7          HG23      THR   7  -5.563   2.785  -8.393
   51    H    LEU   8           H        LEU   8  -3.074   2.024  -6.718
   52    HA   LEU   8           HA       LEU   8  -2.582   3.478  -4.140
   53   1HB   LEU   8          HB2       LEU   8  -0.537   2.031  -5.843
   54   2HB   LEU   8          HB3       LEU   8  -0.299   2.790  -4.275
   55    HG   LEU   8           HG       LEU   8  -1.730   0.208  -4.960
   56   1HD1  LEU   8          HD11      LEU   8   0.716   0.240  -4.582
   57   2HD1  LEU   8          HD12      LEU   8   0.501   0.976  -2.995
   58   3HD1  LEU   8          HD13      LEU   8  -0.074  -0.671  -3.296
   59   1HD2  LEU   8          HD21      LEU   8  -3.125   1.336  -3.251
   60   2HD2  LEU   8          HD22      LEU   8  -2.256   0.004  -2.503
   61   3HD2  LEU   8          HD23      LEU   8  -1.697   1.677  -2.264
   62    H    LYS   9           H        LYS   9  -2.119   5.570  -4.301
   63    HA   LYS   9           HA       LYS   9  -1.063   6.740  -6.846
   64   1HB   LYS   9          HB2       LYS   9  -2.297   8.038  -4.368
   65   2HB   LYS   9          HB3       LYS   9  -1.545   8.930  -5.700
   66   1HG   LYS   9          HG2       LYS   9  -3.143   7.746  -7.263
   67   2HG   LYS   9          HG3       LYS   9  -4.036   7.196  -5.821
   68   1HD   LYS   9          HD2       LYS   9  -4.288   9.655  -5.210
   69   2HD   LYS   9          HD3       LYS   9  -3.469  10.065  -6.728
   70   1HE   LYS   9          HE2       LYS   9  -5.212   8.778  -7.989
   71   2HE   LYS   9          HE3       LYS   9  -6.068   8.487  -6.467
   72   1HZ   LYS   9          HZ1       LYS   9  -5.544  11.164  -7.651
   73   2HZ   LYS   9          HZ2       LYS   9  -6.986  10.401  -7.642
   74   3HZ   LYS   9          HZ3       LYS   9  -6.324  10.904  -6.238
   75    H    THR  10           H        THR  10   0.848   7.793  -6.944
   76    HA   THR  10           HA       THR  10   2.753   7.490  -4.665
   77    HB   THR  10           HB       THR  10   4.485   7.749  -6.328
   78    HG1  THR  10           HG1      THR  10   3.917   7.939  -8.517
   79   1HG2  THR  10          HG21      THR  10   2.422   5.816  -7.450
   80   2HG2  THR  10          HG22      THR  10   4.183   5.777  -7.688
   81   3HG2  THR  10          HG23      THR  10   3.507   5.475  -6.079
   82    H    LEU  11           H        LEU  11   4.350   9.172  -4.275
   83    HA   LEU  11           HA       LEU  11   3.414  11.894  -4.180
   84   1HB   LEU  11          HB2       LEU  11   6.236  10.741  -4.066
   85   2HB   LEU  11          HB3       LEU  11   5.809  12.402  -3.673
   86    HG   LEU  11           HG       LEU  11   4.872   9.935  -2.149
   87   1HD1  LEU  11          HD11      LEU  11   6.871  12.129  -1.457
   88   2HD1  LEU  11          HD12      LEU  11   6.355  10.826  -0.372
   89   3HD1  LEU  11          HD13      LEU  11   7.258  10.440  -1.849
   90   1HD2  LEU  11          HD21      LEU  11   3.171  11.685  -1.966
   91   2HD2  LEU  11          HD22      LEU  11   4.074  11.593  -0.454
   92   3HD2  LEU  11          HD23      LEU  11   4.418  12.903  -1.605
   93    H    GLN  12           H        GLN  12   5.062  10.064  -6.666
   94    HA   GLN  12           HA       GLN  12   5.745  12.338  -8.350
   95   1HB   GLN  12          HB2       GLN  12   5.706   9.339  -8.922
   96   2HB   GLN  12          HB3       GLN  12   6.361  10.591  -9.970
   97   1HG   GLN  12          HG2       GLN  12   8.239   9.684  -8.924
   98   2HG   GLN  12          HG3       GLN  12   7.974  11.236  -8.146
   99   1HE2  GLN  12          HE21      GLN  12   9.455  10.247  -6.461
  100   2HE2  GLN  12          HE22      GLN  12   8.712   9.199  -5.258
  101    H    GLN  13           H        GLN  13   2.748  11.312  -7.595
  102    HA   GLN  13           HA       GLN  13   0.704  11.635  -8.462
  103   1HB   GLN  13          HB2       GLN  13   2.084  13.394 -10.517
  104   2HB   GLN  13          HB3       GLN  13   0.368  13.401 -10.123
  105   1HG   GLN  13          HG2       GLN  13   0.773  14.238  -7.895
  106   2HG   GLN  13          HG3       GLN  13   2.519  14.028  -8.054
  107   1HE2  GLN  13          HE21      GLN  13   3.681  15.358  -9.697
  108   2HE2  GLN  13          HE22      GLN  13   3.019  16.946 -10.067
  109    H    GLN  14           H        GLN  14   1.690   9.227  -9.089
  110    HA   GLN  14           HA       GLN  14   0.464   8.577 -11.724
  111   1HB   GLN  14          HB2       GLN  14   2.968   8.411 -11.762
  112   2HB   GLN  14          HB3       GLN  14   2.897   7.300 -10.388
  113   1HG   GLN  14          HG2       GLN  14   1.631   5.677 -11.742
  114   2HG   GLN  14          HG3       GLN  14   1.661   6.791 -13.119
  115   1HE2  GLN  14          HE21      GLN  14   3.803   7.180 -14.169
  116   2HE2  GLN  14          HE22      GLN  14   5.089   6.008 -13.918
  117    H    THR  15           H        THR  15  -0.700   6.519 -11.665
  118    HA   THR  15           HA       THR  15  -1.228   5.468  -8.938
  119    HB   THR  15           HB       THR  15  -3.520   5.719 -10.864
  120    HG1  THR  15           HG1      THR  15  -2.806   7.818 -10.658
  121   1HG2  THR  15          HG21      THR  15  -3.286   5.663  -7.825
  122   2HG2  THR  15          HG22      THR  15  -4.801   5.853  -8.714
  123   3HG2  THR  15          HG23      THR  15  -3.852   4.351  -8.858
  124    H    PHE  16           H        PHE  16  -1.590   3.282  -8.744
  125    HA   PHE  16           HA       PHE  16  -1.814   1.606 -11.178
  126   1HB   PHE  16          HB2       PHE  16   0.024   0.173 -10.541
  127   2HB   PHE  16          HB3       PHE  16   0.566   1.804 -10.829
  128    HD1  PHE  16           HD1      PHE  16   0.345  -0.918  -8.302
  129    HD2  PHE  16           HD2      PHE  16   1.227   3.290  -8.921
  130    HE1  PHE  16           HE1      PHE  16   1.780  -0.911  -6.341
  131    HE2  PHE  16           HE2      PHE  16   2.573   3.289  -6.836
  132    HZ   PHE  16           HZ       PHE  16   2.895   1.176  -5.566
  133    H    LYS  17           H        LYS  17  -1.899  -0.779 -10.466
  134    HA   LYS  17           HA       LYS  17  -3.971  -1.104  -8.341
  135   1HB   LYS  17          HB2       LYS  17  -4.043  -2.279 -11.168
  136   2HB   LYS  17          HB3       LYS  17  -5.265  -2.489  -9.924
  137   1HG   LYS  17          HG2       LYS  17  -4.602   0.138 -11.336
  138   2HG   LYS  17          HG3       LYS  17  -5.926  -0.957 -11.739
  139   1HD   LYS  17          HD2       LYS  17  -6.888  -0.615  -9.446
  140   2HD   LYS  17          HD3       LYS  17  -5.563   0.500  -9.102
  141   1HE   LYS  17          HE2       LYS  17  -7.445   1.839  -9.671
  142   2HE   LYS  17          HE3       LYS  17  -6.304   1.944 -11.016
  143   1HZ   LYS  17          HZ1       LYS  17  -7.697   0.321 -12.210
  144   2HZ   LYS  17          HZ2       LYS  17  -8.726   0.217 -10.940
  145   3HZ   LYS  17          HZ3       LYS  17  -8.594   1.610 -11.776
  146    H    ILE  18           H        ILE  18  -3.476  -2.722  -7.029
  147    HA   ILE  18           HA       ILE  18  -2.003  -5.112  -7.987
  148    HB   ILE  18           HB       ILE  18  -0.800  -4.895  -5.681
  149   1HG1  ILE  18          HG12      ILE  18   0.079  -2.697  -5.126
  150   2HG1  ILE  18          HG13      ILE  18  -1.022  -1.931  -6.272
  151   1HG2  ILE  18          HG21      ILE  18   0.300  -5.066  -7.911
  152   2HG2  ILE  18          HG22      ILE  18   0.124  -3.318  -8.129
  153   3HG2  ILE  18          HG23      ILE  18   1.182  -3.943  -6.859
  154   1HD1  ILE  18          HD11      ILE  18  -1.894  -3.633  -3.891
  155   2HD1  ILE  18          HD12      ILE  18  -1.822  -1.864  -3.908
  156   3HD1  ILE  18          HD13      ILE  18  -2.938  -2.683  -4.979
  157    H    ASP  19           H        ASP  19  -1.966  -6.868  -6.255
  158    HA   ASP  19           HA       ASP  19  -4.382  -6.837  -4.582
  159   1HB   ASP  19          HB2       ASP  19  -5.269  -8.858  -5.523
  160   2HB   ASP  19          HB3       ASP  19  -5.119  -7.649  -6.788
  161    H    ILE  20           H        ILE  20  -4.366  -8.192  -2.867
  162    HA   ILE  20           HA       ILE  20  -2.210 -10.104  -2.354
  163    HB   ILE  20           HB       ILE  20  -1.467  -9.201  -0.291
  164   1HG1  ILE  20          HG12      ILE  20  -3.304  -8.089   0.683
  165   2HG1  ILE  20          HG13      ILE  20  -1.975  -6.961   0.564
  166   1HG2  ILE  20          HG21      ILE  20  -1.189  -7.005  -2.377
  167   2HG2  ILE  20          HG22      ILE  20  -0.129  -7.299  -0.975
  168   3HG2  ILE  20          HG23      ILE  20  -0.232  -8.497  -2.262
  169   1HD1  ILE  20          HD11      ILE  20  -4.523  -7.005  -1.087
  170   2HD1  ILE  20          HD12      ILE  20  -3.981  -5.773   0.044
  171   3HD1  ILE  20          HD13      ILE  20  -3.126  -5.965  -1.494
  172    H    ASP  21           H        ASP  21  -2.635 -11.227  -0.137
  173    HA   ASP  21           HA       ASP  21  -5.342 -12.136   0.065
  174   1HB   ASP  21          HB2       ASP  21  -3.041 -12.293   2.035
  175   2HB   ASP  21          HB3       ASP  21  -4.558 -13.171   2.192
  176    HA   PRO  22           HA       PRO  22  -6.950  -8.675   2.506
  177   1HB   PRO  22          HB2       PRO  22  -9.346  -9.712   3.357
  178   2HB   PRO  22          HB3       PRO  22  -9.044  -9.203   1.671
  179   1HG   PRO  22          HG2       PRO  22  -8.879 -11.994   2.819
  180   2HG   PRO  22          HG3       PRO  22  -9.711 -11.450   1.327
  181   1HD   PRO  22          HD2       PRO  22  -7.230 -12.555   1.256
  182   2HD   PRO  22          HD3       PRO  22  -7.679 -11.199   0.172
  183    H    GLU  23           H        GLU  23  -6.681 -11.906   3.841
  184    HA   GLU  23           HA       GLU  23  -6.810 -11.189   6.650
  185   1HB   GLU  23          HB2       GLU  23  -5.774 -13.674   5.213
  186   2HB   GLU  23          HB3       GLU  23  -6.043 -13.552   6.949
  187   1HG   GLU  23          HG2       GLU  23  -8.215 -13.351   4.819
  188   2HG   GLU  23          HG3       GLU  23  -7.849 -14.763   5.798
  189    H    GLU  24           H        GLU  24  -4.278 -10.644   4.374
  190    HA   GLU  24           HA       GLU  24  -2.126 -11.218   6.341
  191   1HB   GLU  24          HB2       GLU  24  -1.992 -12.113   4.042
  192   2HB   GLU  24          HB3       GLU  24  -2.035 -10.467   3.398
  193   1HG   GLU  24          HG2       GLU  24   0.213 -11.361   3.387
  194   2HG   GLU  24          HG3       GLU  24   0.098  -9.974   4.467
  195    H    THR  25           H        THR  25  -0.389  -9.545   6.603
  196    HA   THR  25           HA       THR  25  -1.734  -7.055   7.401
  197    HB   THR  25           HB       THR  25   0.238  -6.477   8.590
  198    HG1  THR  25           HG1      THR  25   2.094  -7.605   8.451
  199   1HG2  THR  25          HG21      THR  25  -0.180  -9.467   8.974
  200   2HG2  THR  25          HG22      THR  25   0.473  -8.310  10.150
  201   3HG2  THR  25          HG23      THR  25  -1.224  -8.197   9.647
  202    H    VAL  26           H        VAL  26  -0.645  -4.955   7.161
  203    HA   VAL  26           HA       VAL  26  -0.415  -4.137   4.450
  204    HB   VAL  26           HB       VAL  26   0.666  -2.795   6.942
  205   1HG1  VAL  26          HG11      VAL  26   0.438  -0.668   5.704
  206   2HG1  VAL  26          HG12      VAL  26   1.670  -1.708   5.002
  207   3HG1  VAL  26          HG13      VAL  26   0.080  -1.578   4.217
  208   1HG2  VAL  26          HG21      VAL  26  -1.977  -2.430   5.444
  209   2HG2  VAL  26          HG22      VAL  26  -1.786  -3.285   6.989
  210   3HG2  VAL  26          HG23      VAL  26  -1.465  -1.569   6.911
  211    H    LYS  27           H        LYS  27   2.095  -5.487   6.540
  212    HA   LYS  27           HA       LYS  27   4.462  -4.780   5.180
  213   1HB   LYS  27          HB2       LYS  27   4.182  -6.149   7.289
  214   2HB   LYS  27          HB3       LYS  27   3.750  -7.527   6.266
  215   1HG   LYS  27          HG2       LYS  27   5.965  -7.402   5.156
  216   2HG   LYS  27          HG3       LYS  27   6.362  -5.953   6.089
  217   1HD   LYS  27          HD2       LYS  27   7.468  -7.821   7.109
  218   2HD   LYS  27          HD3       LYS  27   6.173  -7.286   8.194
  219   1HE   LYS  27          HE2       LYS  27   4.721  -9.126   7.372
  220   2HE   LYS  27          HE3       LYS  27   5.987  -9.633   6.245
  221   1HZ   LYS  27          HZ1       LYS  27   6.017 -10.963   8.277
  222   2HZ   LYS  27          HZ2       LYS  27   7.408 -10.117   8.163
  223   3HZ   LYS  27          HZ3       LYS  27   6.243  -9.640   9.206
  224    H    ALA  28           H        ALA  28   2.083  -7.328   4.228
  225    HA   ALA  28           HA       ALA  28   3.660  -8.288   2.017
  226   1HB   ALA  28          HB1       ALA  28   0.670  -8.459   2.617
  227   2HB   ALA  28          HB2       ALA  28   1.536  -9.418   1.391
  228   3HB   ALA  28          HB3       ALA  28   1.930  -9.608   3.114
  229    H    LEU  29           H        LEU  29   0.941  -5.949   2.143
  230    HA   LEU  29           HA       LEU  29   0.814  -5.232  -0.620
  231   1HB   LEU  29          HB2       LEU  29  -1.041  -4.752   0.756
  232   2HB   LEU  29          HB3       LEU  29  -0.040  -4.130   2.061
  233    HG   LEU  29           HG       LEU  29   0.470  -2.128   0.779
  234   1HD1  LEU  29          HD11      LEU  29  -1.684  -3.140  -1.157
  235   2HD1  LEU  29          HD12      LEU  29  -0.932  -1.529  -1.187
  236   3HD1  LEU  29          HD13      LEU  29   0.033  -2.961  -1.559
  237   1HD2  LEU  29          HD21      LEU  29  -1.665  -1.028   1.103
  238   2HD2  LEU  29          HD22      LEU  29  -2.512  -2.584   1.076
  239   3HD2  LEU  29          HD23      LEU  29  -1.401  -2.197   2.407
  240    H    LYS  30           H        LYS  30   2.787  -4.037   2.088
  241    HA   LYS  30           HA       LYS  30   3.942  -1.884   0.511
  242   1HB   LYS  30          HB2       LYS  30   3.322  -1.640   2.847
  243   2HB   LYS  30          HB3       LYS  30   4.323  -2.986   3.337
  244   1HG   LYS  30          HG2       LYS  30   5.569  -0.554   2.071
  245   2HG   LYS  30          HG3       LYS  30   5.033  -0.468   3.737
  246   1HD   LYS  30          HD2       LYS  30   7.066  -2.427   2.631
  247   2HD   LYS  30          HD3       LYS  30   7.435  -1.002   3.597
  248   1HE   LYS  30          HE2       LYS  30   5.840  -3.433   4.538
  249   2HE   LYS  30          HE3       LYS  30   7.522  -3.130   4.914
  250   1HZ   LYS  30          HZ1       LYS  30   6.903  -1.190   6.169
  251   2HZ   LYS  30          HZ2       LYS  30   5.323  -1.323   5.745
  252   3HZ   LYS  30          HZ3       LYS  30   6.004  -2.465   6.689
  253    H    GLU  31           H        GLU  31   5.188  -5.046   1.561
  254    HA   GLU  31           HA       GLU  31   7.813  -4.668   0.423
  255   1HB   GLU  31          HB2       GLU  31   6.168  -7.150   1.024
  256   2HB   GLU  31          HB3       GLU  31   7.790  -7.211   0.326
  257   1HG   GLU  31          HG2       GLU  31   8.687  -5.935   2.252
  258   2HG   GLU  31          HG3       GLU  31   7.112  -5.976   3.027
  259    H    LYS  32           H        LYS  32   4.745  -5.960  -1.026
  260    HA   LYS  32           HA       LYS  32   6.063  -6.906  -3.341
  261   1HB   LYS  32          HB2       LYS  32   3.945  -7.438  -4.147
  262   2HB   LYS  32          HB3       LYS  32   3.839  -7.577  -2.409
  263   1HG   LYS  32          HG2       LYS  32   1.945  -6.388  -2.583
  264   2HG   LYS  32          HG3       LYS  32   3.011  -5.001  -2.643
  265   1HD   LYS  32          HD2       LYS  32   1.212  -4.970  -4.380
  266   2HD   LYS  32          HD3       LYS  32   2.818  -4.867  -5.061
  267   1HE   LYS  32          HE2       LYS  32   1.319  -6.330  -6.382
  268   2HE   LYS  32          HE3       LYS  32   2.789  -7.124  -5.850
  269   1HZ   LYS  32          HZ1       LYS  32   1.496  -8.216  -4.087
  270   2HZ   LYS  32          HZ2       LYS  32   0.109  -7.500  -4.587
  271   3HZ   LYS  32          HZ3       LYS  32   0.871  -8.558  -5.546
  272    H    ILE  33           H        ILE  33   4.910  -3.605  -2.744
  273    HA   ILE  33           HA       ILE  33   5.128  -2.918  -5.563
  274    HB   ILE  33           HB       ILE  33   4.461  -0.756  -5.063
  275   1HG1  ILE  33          HG12      ILE  33   3.859  -0.179  -2.561
  276   2HG1  ILE  33          HG13      ILE  33   5.184  -1.271  -2.174
  277   1HG2  ILE  33          HG21      ILE  33   2.326  -1.172  -3.996
  278   2HG2  ILE  33          HG22      ILE  33   2.773  -2.520  -5.053
  279   3HG2  ILE  33          HG23      ILE  33   2.914  -2.668  -3.290
  280   1HD1  ILE  33          HD11      ILE  33   6.745   0.169  -3.417
  281   2HD1  ILE  33          HD12      ILE  33   5.394   1.133  -4.060
  282   3HD1  ILE  33          HD13      ILE  33   5.777   1.184  -2.340
  283    H    GLU  34           H        GLU  34   7.471  -3.022  -2.988
  284    HA   GLU  34           HA       GLU  34   9.433  -1.290  -4.214
  285   1HB   GLU  34          HB2       GLU  34   9.591  -2.306  -1.912
  286   2HB   GLU  34          HB3       GLU  34   9.945  -3.864  -2.679
  287   1HG   GLU  34          HG2       GLU  34  11.945  -2.782  -3.790
  288   2HG   GLU  34          HG3       GLU  34  11.596  -1.309  -2.891
  289    H    SER  35           H        SER  35   8.367  -4.643  -4.932
  290    HA   SER  35           HA       SER  35  10.370  -5.123  -6.979
  291   1HB   SER  35          HB2       SER  35   7.656  -6.441  -6.612
  292   2HB   SER  35          HB3       SER  35   8.997  -7.032  -7.602
  293    HG   SER  35           HG       SER  35   8.945  -8.051  -5.550
  294    H    GLU  36           H        GLU  36   7.508  -3.187  -6.986
  295    HA   GLU  36           HA       GLU  36   7.170  -3.322  -9.952
  296   1HB   GLU  36          HB2       GLU  36   5.515  -1.990  -7.774
  297   2HB   GLU  36          HB3       GLU  36   5.126  -1.980  -9.488
  298   1HG   GLU  36          HG2       GLU  36   5.235  -4.431  -7.681
  299   2HG   GLU  36          HG3       GLU  36   3.787  -3.641  -8.283
  300    H    LYS  37           H        LYS  37   8.023  -1.030  -7.377
  301    HA   LYS  37           HA       LYS  37   8.600   1.107  -9.411
  302   1HB   LYS  37          HB2       LYS  37   7.796   1.388  -6.494
  303   2HB   LYS  37          HB3       LYS  37   8.039   2.700  -7.652
  304   1HG   LYS  37          HG2       LYS  37   5.834   0.600  -7.777
  305   2HG   LYS  37          HG3       LYS  37   5.663   2.269  -7.242
  306   1HD   LYS  37          HD2       LYS  37   6.248   3.101  -9.489
  307   2HD   LYS  37          HD3       LYS  37   6.491   1.437 -10.060
  308   1HE   LYS  37          HE2       LYS  37   4.122   0.911  -9.459
  309   2HE   LYS  37          HE3       LYS  37   3.883   2.606  -9.019
  310   1HZ   LYS  37          HZ1       LYS  37   4.334   3.240 -11.305
  311   2HZ   LYS  37          HZ2       LYS  37   4.707   1.700 -11.728
  312   3HZ   LYS  37          HZ3       LYS  37   3.176   2.094 -11.319
  313    H    GLY  38           H        GLY  38  10.149  -0.886  -7.139
  314   1HA   GLY  38          HA2       GLY  38  12.435  -1.215  -7.153
  315   2HA   GLY  38          HA3       GLY  38  12.711   0.393  -7.797
  316    H    LYS  39           H        LYS  39  13.973  -1.104  -5.593
  317    HA   LYS  39           HA       LYS  39  13.740   0.018  -3.048
  318   1HB   LYS  39          HB2       LYS  39  15.292  -1.803  -3.877
  319   2HB   LYS  39          HB3       LYS  39  16.234  -0.581  -4.710
  320   1HG   LYS  39          HG2       LYS  39  17.434  -1.075  -2.755
  321   2HG   LYS  39          HG3       LYS  39  16.713   0.500  -2.477
  322   1HD   LYS  39          HD2       LYS  39  16.442  -0.704  -0.445
  323   2HD   LYS  39          HD3       LYS  39  14.844  -0.717  -1.203
  324   1HE   LYS  39          HE2       LYS  39  15.402  -2.993  -2.163
  325   2HE   LYS  39          HE3       LYS  39  16.916  -2.963  -1.245
  326   1HZ   LYS  39          HZ1       LYS  39  15.551  -2.807   0.796
  327   2HZ   LYS  39          HZ2       LYS  39  14.173  -2.847  -0.120
  328   3HZ   LYS  39          HZ3       LYS  39  15.151  -4.148  -0.061
  329    H    ASP  40           H        ASP  40  15.038   1.493  -5.961
  330    HA   ASP  40           HA       ASP  40  16.308   3.772  -4.794
  331   1HB   ASP  40          HB2       ASP  40  15.117   3.353  -7.566
  332   2HB   ASP  40          HB3       ASP  40  16.156   4.701  -7.112
  333    H    ALA  41           H        ALA  41  12.893   3.190  -5.325
  334    HA   ALA  41           HA       ALA  41  12.290   6.092  -4.846
  335   1HB   ALA  41          HB1       ALA  41  10.815   4.116  -6.623
  336   2HB   ALA  41          HB2       ALA  41  10.400   5.824  -6.366
  337   3HB   ALA  41          HB3       ALA  41  11.918   5.396  -7.184
  338    H    PHE  42           H        PHE  42  11.334   2.752  -4.073
  339    HA   PHE  42           HA       PHE  42   9.783   3.782  -1.751
  340   1HB   PHE  42          HB2       PHE  42   8.746   1.829  -3.829
  341   2HB   PHE  42          HB3       PHE  42   8.043   2.044  -2.229
  342    HD1  PHE  42           HD1      PHE  42   6.932   4.127  -1.547
  343    HD2  PHE  42           HD2      PHE  42   8.403   3.547  -5.555
  344    HE1  PHE  42           HE1      PHE  42   5.656   6.121  -2.306
  345    HE2  PHE  42           HE2      PHE  42   7.090   5.521  -6.322
  346    HZ   PHE  42           HZ       PHE  42   5.740   6.820  -4.689
  347    HA   PRO  43           HA       PRO  43  12.721   0.293  -0.702
  348   1HB   PRO  43          HB2       PRO  43  14.080   1.502   1.335
  349   2HB   PRO  43          HB3       PRO  43  14.546   1.646  -0.384
  350   1HG   PRO  43          HG2       PRO  43  12.907   3.564   1.273
  351   2HG   PRO  43          HG3       PRO  43  14.283   3.937   0.179
  352   1HD   PRO  43          HD2       PRO  43  11.674   4.224  -0.580
  353   2HD   PRO  43          HD3       PRO  43  12.933   3.693  -1.732
  354    H    VAL  44           H        VAL  44  11.866  -1.220   0.657
  355    HA   VAL  44           HA       VAL  44   9.622  -0.867   2.317
  356    HB   VAL  44           HB       VAL  44  11.802  -2.974   2.319
  357   1HG1  VAL  44          HG11      VAL  44  10.213  -4.433   3.584
  358   2HG1  VAL  44          HG12      VAL  44  10.827  -3.100   4.564
  359   3HG1  VAL  44          HG13      VAL  44   9.192  -3.015   3.882
  360   1HG2  VAL  44          HG21      VAL  44   8.895  -2.975   1.389
  361   2HG2  VAL  44          HG22      VAL  44  10.288  -2.770   0.326
  362   3HG2  VAL  44          HG23      VAL  44  10.075  -4.297   1.184
  363    H    ALA  45           H        ALA  45  13.018  -0.541   3.245
  364    HA   ALA  45           HA       ALA  45  12.616  -0.232   6.067
  365   1HB   ALA  45          HB1       ALA  45  14.960   0.527   5.992
  366   2HB   ALA  45          HB2       ALA  45  14.736  -0.910   4.974
  367   3HB   ALA  45          HB3       ALA  45  14.855   0.706   4.228
  368    H    GLY  46           H        GLY  46  11.802   1.971   3.556
  369   1HA   GLY  46          HA2       GLY  46  11.812   4.319   5.403
  370   2HA   GLY  46          HA3       GLY  46  12.665   4.389   3.860
  371    H    GLN  47           H        GLN  47   9.692   2.564   3.823
  372    HA   GLN  47           HA       GLN  47   8.237   4.952   2.755
  373   1HB   GLN  47          HB2       GLN  47   7.043   3.646   1.235
  374   2HB   GLN  47          HB3       GLN  47   8.753   3.299   1.008
  375   1HG   GLN  47          HG2       GLN  47   8.544   1.137   2.054
  376   2HG   GLN  47          HG3       GLN  47   6.938   1.503   2.673
  377   1HE2  GLN  47          HE21      GLN  47   8.594   0.052  -0.004
  378   2HE2  GLN  47          HE22      GLN  47   7.116  -0.206  -0.905
  379    H    LYS  48           H        LYS  48   5.996   5.042   2.913
  380    HA   LYS  48           HA       LYS  48   4.692   3.919   5.351
  381   1HB   LYS  48          HB2       LYS  48   4.720   6.862   4.604
  382   2HB   LYS  48          HB3       LYS  48   4.056   6.159   6.065
  383   1HG   LYS  48          HG2       LYS  48   7.023   6.331   5.363
  384   2HG   LYS  48          HG3       LYS  48   6.142   7.462   6.379
  385   1HD   LYS  48          HD2       LYS  48   5.669   5.732   8.039
  386   2HD   LYS  48          HD3       LYS  48   6.451   4.500   7.030
  387   1HE   LYS  48          HE2       LYS  48   8.589   5.769   7.136
  388   2HE   LYS  48          HE3       LYS  48   7.817   6.991   8.148
  389   1HZ   LYS  48          HZ1       LYS  48   8.154   4.133   8.895
  390   2HZ   LYS  48          HZ2       LYS  48   9.032   5.374   9.486
  391   3HZ   LYS  48          HZ3       LYS  48   7.442   5.266   9.832
  392    H    LEU  49           H        LEU  49   2.351   4.380   5.340
  393    HA   LEU  49           HA       LEU  49   1.133   4.870   2.676
  394   1HB   LEU  49          HB2       LEU  49   0.785   2.343   4.337
  395   2HB   LEU  49          HB3       LEU  49  -0.333   2.876   3.084
  396    HG   LEU  49           HG       LEU  49   1.886   2.940   1.608
  397   1HD1  LEU  49          HD11      LEU  49   2.396   0.637   3.557
  398   2HD1  LEU  49          HD12      LEU  49   3.307   0.981   2.069
  399   3HD1  LEU  49          HD13      LEU  49   3.400   2.090   3.434
  400   1HD2  LEU  49          HD21      LEU  49   0.289   0.427   2.263
  401   2HD2  LEU  49          HD22      LEU  49  -0.138   1.671   1.066
  402   3HD2  LEU  49          HD23      LEU  49   1.288   0.661   0.811
  403    H    ILE  50           H        ILE  50  -0.883   5.606   2.629
  404    HA   ILE  50           HA       ILE  50  -2.482   6.003   5.142
  405    HB   ILE  50           HB       ILE  50  -1.817   8.051   2.981
  406   1HG1  ILE  50          HG12      ILE  50  -0.157   7.941   4.814
  407   2HG1  ILE  50          HG13      ILE  50  -0.989   9.482   4.708
  408   1HG2  ILE  50          HG21      ILE  50  -4.161   8.361   3.328
  409   2HG2  ILE  50          HG22      ILE  50  -3.996   8.170   5.094
  410   3HG2  ILE  50          HG23      ILE  50  -3.356   9.613   4.268
  411   1HD1  ILE  50          HD11      ILE  50  -0.752   8.852   7.034
  412   2HD1  ILE  50          HD12      ILE  50  -2.479   8.796   6.622
  413   3HD1  ILE  50          HD13      ILE  50  -1.545   7.291   6.745
  414    H    TYR  51           H        TYR  51  -4.696   5.594   4.860
  415    HA   TYR  51           HA       TYR  51  -5.541   4.921   2.058
  416   1HB   TYR  51          HB2       TYR  51  -5.859   3.132   3.584
  417   2HB   TYR  51          HB3       TYR  51  -6.683   4.161   4.741
  418    HD1  TYR  51           HD1      TYR  51  -8.753   3.038   4.950
  419    HD2  TYR  51           HD2      TYR  51  -7.281   4.010   1.015
  420    HE1  TYR  51           HE1      TYR  51 -10.925   2.335   3.964
  421    HE2  TYR  51           HE2      TYR  51  -9.437   3.307   0.035
  422    HH   TYR  51           HH       TYR  51 -12.146   2.079   2.036
  423    H    ALA  52           H        ALA  52  -7.082   6.442   4.839
  424    HA   ALA  52           HA       ALA  52  -8.288   8.543   3.085
  425   1HB   ALA  52          HB1       ALA  52 -10.480   8.044   4.083
  426   2HB   ALA  52          HB2       ALA  52  -9.812   6.593   3.320
  427   3HB   ALA  52          HB3       ALA  52  -9.759   6.768   5.089
  428    H    GLY  53           H        GLY  53  -6.065   8.695   5.043
  429   1HA   GLY  53          HA2       GLY  53  -5.496  10.532   6.495
  430   2HA   GLY  53          HA3       GLY  53  -7.171  10.651   7.035
  431    H    LYS  54           H        LYS  54  -6.324   7.434   6.876
  432    HA   LYS  54           HA       LYS  54  -5.540   7.189   9.746
  433   1HB   LYS  54          HB2       LYS  54  -6.471   4.993   9.736
  434   2HB   LYS  54          HB3       LYS  54  -7.694   6.097   9.103
  435   1HG   LYS  54          HG2       LYS  54  -7.179   5.311   6.790
  436   2HG   LYS  54          HG3       LYS  54  -5.936   4.234   7.440
  437   1HD   LYS  54          HD2       LYS  54  -7.793   2.855   7.067
  438   2HD   LYS  54          HD3       LYS  54  -7.741   3.096   8.814
  439   1HE   LYS  54          HE2       LYS  54  -9.509   4.850   8.612
  440   2HE   LYS  54          HE3       LYS  54  -9.535   4.620   6.859
  441   1HZ   LYS  54          HZ1       LYS  54 -10.260   2.297   7.257
  442   2HZ   LYS  54          HZ2       LYS  54 -10.266   2.562   8.875
  443   3HZ   LYS  54          HZ3       LYS  54 -11.308   3.364   7.915
  444    H    ILE  55           H        ILE  55  -3.926   5.594  10.244
  445    HA   ILE  55           HA       ILE  55  -1.808   5.536   8.154
  446    HB   ILE  55           HB       ILE  55  -1.434   4.782  11.068
  447   1HG1  ILE  55          HG12      ILE  55  -2.362   6.964  11.319
  448   2HG1  ILE  55          HG13      ILE  55  -0.637   7.015  11.608
  449   1HG2  ILE  55          HG21      ILE  55   0.902   5.474  10.585
  450   2HG2  ILE  55          HG22      ILE  55   0.355   4.171   9.525
  451   3HG2  ILE  55          HG23      ILE  55   0.443   5.829   8.905
  452   1HD1  ILE  55          HD11      ILE  55  -2.070   8.013   9.119
  453   2HD1  ILE  55          HD12      ILE  55  -1.324   8.990  10.388
  454   3HD1  ILE  55          HD13      ILE  55  -0.298   8.008   9.330
  455    H    LEU  56           H        LEU  56  -1.639   3.705   7.006
  456    HA   LEU  56           HA       LEU  56  -2.753   1.140   7.914
  457   1HB   LEU  56          HB2       LEU  56  -1.008   1.843   5.524
  458   2HB   LEU  56          HB3       LEU  56  -1.786   0.295   5.799
  459    HG   LEU  56           HG       LEU  56  -3.151   2.933   5.171
  460   1HD1  LEU  56          HD11      LEU  56  -3.936   1.717   3.194
  461   2HD1  LEU  56          HD12      LEU  56  -2.175   1.645   3.269
  462   3HD1  LEU  56          HD13      LEU  56  -3.131   0.235   3.747
  463   1HD2  LEU  56          HD21      LEU  56  -4.587   1.812   6.794
  464   2HD2  LEU  56          HD22      LEU  56  -5.284   1.601   5.191
  465   3HD2  LEU  56          HD23      LEU  56  -4.395   0.263   5.938
  466    H    ASN  57           H        ASN  57  -1.713  -0.455   8.973
  467    HA   ASN  57           HA       ASN  57   1.022   0.169   9.980
  468   1HB   ASN  57          HB2       ASN  57  -0.713   0.687  11.570
  469   2HB   ASN  57          HB3       ASN  57  -1.505  -0.856  11.334
  470   1HD2  ASN  57          HD21      ASN  57  -1.054  -2.388  12.903
  471   2HD2  ASN  57          HD22      ASN  57   0.406  -2.367  13.877
  472    H    ASP  58           H        ASP  58   2.508  -1.330  10.205
  473    HA   ASP  58           HA       ASP  58   2.607  -3.428   8.376
  474   1HB   ASP  58          HB2       ASP  58   4.424  -1.968   9.477
  475   2HB   ASP  58          HB3       ASP  58   4.364  -3.069  10.847
  476    H    ASP  59           H        ASP  59   1.266  -3.651  11.528
  477    HA   ASP  59           HA       ASP  59   1.726  -6.594  11.720
  478   1HB   ASP  59          HB2       ASP  59   2.836  -5.029  13.358
  479   2HB   ASP  59          HB3       ASP  59   1.234  -4.580  13.936
  480    H    THR  60           H        THR  60  -0.750  -4.694  10.731
  481    HA   THR  60           HA       THR  60  -2.846  -6.484  11.905
  482    HB   THR  60           HB       THR  60  -3.147  -3.520  11.358
  483    HG1  THR  60           HG1      THR  60  -3.408  -3.469  13.657
  484   1HG2  THR  60          HG21      THR  60  -5.046  -5.544  12.589
  485   2HG2  THR  60          HG22      THR  60  -5.291  -3.779  12.578
  486   3HG2  THR  60          HG23      THR  60  -5.259  -4.663  11.054
  487    H    ALA  61           H        ALA  61  -4.416  -7.201  10.556
  488    HA   ALA  61           HA       ALA  61  -3.655  -7.620   7.868
  489   1HB   ALA  61          HB1       ALA  61  -5.720  -8.942   7.771
  490   2HB   ALA  61          HB2       ALA  61  -4.776  -9.275   9.235
  491   3HB   ALA  61          HB3       ALA  61  -6.232  -8.252   9.331
  492    H    LEU  62           H        LEU  62  -4.490  -7.054   5.899
  493    HA   LEU  62           HA       LEU  62  -5.251  -4.537   5.258
  494   1HB   LEU  62          HB2       LEU  62  -5.211  -7.237   4.043
  495   2HB   LEU  62          HB3       LEU  62  -6.403  -6.213   3.304
  496    HG   LEU  62           HG       LEU  62  -4.178  -6.284   2.249
  497   1HD1  LEU  62          HD11      LEU  62  -4.178  -3.900   1.666
  498   2HD1  LEU  62          HD12      LEU  62  -5.839  -4.463   1.853
  499   3HD1  LEU  62          HD13      LEU  62  -5.078  -3.512   3.148
  500   1HD2  LEU  62          HD21      LEU  62  -2.686  -6.183   4.173
  501   2HD2  LEU  62          HD22      LEU  62  -2.344  -4.900   3.009
  502   3HD2  LEU  62          HD23      LEU  62  -3.197  -4.514   4.512
  503    H    LYS  63           H        LYS  63  -7.670  -7.165   5.737
  504    HA   LYS  63           HA       LYS  63  -9.856  -5.471   5.016
  505   1HB   LYS  63          HB2       LYS  63 -11.261  -7.200   5.442
  506   2HB   LYS  63          HB3       LYS  63  -9.768  -8.008   5.012
  507   1HG   LYS  63          HG2       LYS  63 -10.975  -7.694   7.794
  508   2HG   LYS  63          HG3       LYS  63 -10.876  -9.159   6.813
  509   1HD   LYS  63          HD2       LYS  63  -8.453  -9.238   7.065
  510   2HD   LYS  63          HD3       LYS  63  -8.447  -7.693   7.926
  511   1HE   LYS  63          HE2       LYS  63  -8.212  -9.597   9.462
  512   2HE   LYS  63          HE3       LYS  63  -9.664  -8.648   9.798
  513   1HZ   LYS  63          HZ1       LYS  63  -9.991 -11.117   9.803
  514   2HZ   LYS  63          HZ2       LYS  63 -10.998 -10.337   8.782
  515   3HZ   LYS  63          HZ3       LYS  63  -9.711 -11.143   8.185
  516    H    GLU  64           H        GLU  64  -8.193  -5.519   8.060
  517    HA   GLU  64           HA       GLU  64 -10.404  -4.635   9.726
  518   1HB   GLU  64          HB2       GLU  64  -7.394  -4.321  10.054
  519   2HB   GLU  64          HB3       GLU  64  -8.576  -3.923  11.290
  520   1HG   GLU  64          HG2       GLU  64  -8.195  -6.717  10.133
  521   2HG   GLU  64          HG3       GLU  64  -7.474  -6.135  11.622
  522    H    TYR  65           H        TYR  65  -8.231  -3.007   7.539
  523    HA   TYR  65           HA       TYR  65  -8.886  -0.296   8.492
  524   1HB   TYR  65          HB2       TYR  65  -7.526  -1.112   5.922
  525   2HB   TYR  65          HB3       TYR  65  -7.505   0.478   6.666
  526    HD1  TYR  65           HD1      TYR  65  -5.967  -2.751   6.452
  527    HD2  TYR  65           HD2      TYR  65  -6.297   0.737   8.975
  528    HE1  TYR  65           HE1      TYR  65  -3.935  -3.451   7.678
  529    HE2  TYR  65           HE2      TYR  65  -4.227   0.055  10.160
  530    HH   TYR  65           HH       TYR  65  -2.382  -2.858   9.220
  531    H    LYS  66           H        LYS  66 -10.545  -2.547   6.657
  532    HA   LYS  66           HA       LYS  66 -12.159  -2.632   5.097
  533   1HB   LYS  66          HB2       LYS  66 -13.002   0.007   6.347
  534   2HB   LYS  66          HB3       LYS  66 -14.019  -1.047   5.353
  535   1HG   LYS  66          HG2       LYS  66 -13.709  -2.891   7.003
  536   2HG   LYS  66          HG3       LYS  66 -12.783  -1.792   8.042
  537   1HD   LYS  66          HD2       LYS  66 -14.745  -0.265   8.161
  538   2HD   LYS  66          HD3       LYS  66 -15.694  -1.407   7.202
  539   1HE   LYS  66          HE2       LYS  66 -14.400  -2.014   9.904
  540   2HE   LYS  66          HE3       LYS  66 -16.084  -1.534   9.684
  541   1HZ   LYS  66          HZ1       LYS  66 -16.417  -3.543   8.339
  542   2HZ   LYS  66          HZ2       LYS  66 -14.867  -4.008   8.577
  543   3HZ   LYS  66          HZ3       LYS  66 -15.900  -3.933   9.836
  544    H    ILE  67           H        ILE  67  -9.900  -2.011   3.861
  545    HA   ILE  67           HA       ILE  67 -10.192   0.213   2.004
  546    HB   ILE  67           HB       ILE  67  -8.401  -2.209   1.709
  547   1HG1  ILE  67          HG12      ILE  67  -8.052   0.385   3.251
  548   2HG1  ILE  67          HG13      ILE  67  -7.874  -1.284   3.804
  549   1HG2  ILE  67          HG21      ILE  67  -8.690  -0.910  -0.385
  550   2HG2  ILE  67          HG22      ILE  67  -8.291   0.592   0.485
  551   3HG2  ILE  67          HG23      ILE  67  -7.084  -0.687   0.261
  552   1HD1  ILE  67          HD11      ILE  67  -5.980   0.294   2.080
  553   2HD1  ILE  67          HD12      ILE  67  -5.696  -0.409   3.681
  554   3HD1  ILE  67          HD13      ILE  67  -5.863  -1.473   2.267
  555    H    ASP  68           H        ASP  68 -10.825   0.095  -0.182
  556    HA   ASP  68           HA       ASP  68 -12.347  -2.317  -1.066
  557   1HB   ASP  68          HB2       ASP  68 -13.858  -0.674   0.053
  558   2HB   ASP  68          HB3       ASP  68 -13.348   0.556  -1.107
  559    H    GLU  69           H        GLU  69 -12.305  -2.748  -3.225
  560    HA   GLU  69           HA       GLU  69 -10.129  -1.775  -4.752
  561   1HB   GLU  69          HB2       GLU  69 -10.991  -3.155  -6.555
  562   2HB   GLU  69          HB3       GLU  69 -11.020  -4.025  -5.025
  563   1HG   GLU  69          HG2       GLU  69 -13.401  -3.842  -4.831
  564   2HG   GLU  69          HG3       GLU  69 -13.496  -2.618  -6.093
  565    H    LYS  70           H        LYS  70 -13.198  -0.267  -4.420
  566    HA   LYS  70           HA       LYS  70 -12.863   1.289  -6.959
  567   1HB   LYS  70          HB2       LYS  70 -15.197   1.403  -5.022
  568   2HB   LYS  70          HB3       LYS  70 -15.115   2.042  -6.655
  569   1HG   LYS  70          HG2       LYS  70 -15.307  -0.868  -5.821
  570   2HG   LYS  70          HG3       LYS  70 -16.500   0.109  -6.669
  571   1HD   LYS  70          HD2       LYS  70 -14.892   0.254  -8.631
  572   2HD   LYS  70          HD3       LYS  70 -13.836  -0.884  -7.765
  573   1HE   LYS  70          HE2       LYS  70 -15.953  -2.387  -7.568
  574   2HE   LYS  70          HE3       LYS  70 -16.662  -1.331  -8.796
  575   1HZ   LYS  70          HZ1       LYS  70 -14.644  -1.918 -10.187
  576   2HZ   LYS  70          HZ2       LYS  70 -14.256  -3.054  -9.049
  577   3HZ   LYS  70          HZ3       LYS  70 -15.643  -3.179  -9.890
  578    H    ASN  71           H        ASN  71 -11.672   1.495  -3.926
  579    HA   ASN  71           HA       ASN  71 -11.502   4.478  -4.053
  580   1HB   ASN  71          HB2       ASN  71 -12.811   3.429  -2.069
  581   2HB   ASN  71          HB3       ASN  71 -11.248   2.833  -1.512
  582   1HD2  ASN  71          HD21      ASN  71 -11.947   4.205   0.393
  583   2HD2  ASN  71          HD22      ASN  71 -11.546   5.920   0.327
  584    H    PHE  72           H        PHE  72  -9.383   5.164  -2.765
  585    HA   PHE  72           HA       PHE  72  -7.145   3.389  -3.572
  586   1HB   PHE  72          HB2       PHE  72  -6.024   5.069  -4.785
  587   2HB   PHE  72          HB3       PHE  72  -7.650   4.962  -5.424
  588    HD1  PHE  72           HD1      PHE  72  -9.164   6.872  -5.299
  589    HD2  PHE  72           HD2      PHE  72  -5.276   7.001  -3.434
  590    HE1  PHE  72           HE1      PHE  72  -9.368   9.330  -5.030
  591    HE2  PHE  72           HE2      PHE  72  -5.493   9.439  -3.144
  592    HZ   PHE  72           HZ       PHE  72  -7.557  10.621  -3.907
  593    H    VAL  73           H        VAL  73  -5.086   4.050  -2.931
  594    HA   VAL  73           HA       VAL  73  -4.859   5.044  -0.112
  595    HB   VAL  73           HB       VAL  73  -3.845   2.549  -1.510
  596   1HG1  VAL  73          HG11      VAL  73  -2.868   3.452   1.222
  597   2HG1  VAL  73          HG12      VAL  73  -2.536   1.904   0.436
  598   3HG1  VAL  73          HG13      VAL  73  -1.882   3.383  -0.259
  599   1HG2  VAL  73          HG21      VAL  73  -5.292   2.828   1.134
  600   2HG2  VAL  73          HG22      VAL  73  -6.053   2.370  -0.412
  601   3HG2  VAL  73          HG23      VAL  73  -4.834   1.326   0.326
  602    H    VAL  74           H        VAL  74  -2.798   5.995   0.339
  603    HA   VAL  74           HA       VAL  74  -1.193   6.828  -2.066
  604    HB   VAL  74           HB       VAL  74  -1.479   8.265   0.595
  605   1HG1  VAL  74          HG11      VAL  74  -0.056   9.046  -1.994
  606   2HG1  VAL  74          HG12      VAL  74  -0.302  10.113  -0.593
  607   3HG1  VAL  74          HG13      VAL  74   0.720   8.685  -0.434
  608   1HG2  VAL  74          HG21      VAL  74  -3.558   8.466  -0.714
  609   2HG2  VAL  74          HG22      VAL  74  -2.678   9.994  -0.724
  610   3HG2  VAL  74          HG23      VAL  74  -2.626   8.940  -2.153
  611    H    VAL  75           H        VAL  75   0.821   6.164  -2.194
  612    HA   VAL  75           HA       VAL  75   2.259   5.026   0.177
  613    HB   VAL  75           HB       VAL  75   3.909   4.188  -1.518
  614   1HG1  VAL  75          HG11      VAL  75   1.081   3.077  -1.625
  615   2HG1  VAL  75          HG12      VAL  75   2.539   2.226  -2.192
  616   3HG1  VAL  75          HG13      VAL  75   2.385   2.644  -0.493
  617   1HG2  VAL  75          HG21      VAL  75   3.274   3.818  -3.815
  618   2HG2  VAL  75          HG22      VAL  75   1.703   4.600  -3.577
  619   3HG2  VAL  75          HG23      VAL  75   3.205   5.552  -3.505
  620    H    MET  76           H        MET  76   3.921   6.115   1.038
  621    HA   MET  76           HA       MET  76   5.252   8.298  -0.484
  622   1HB   MET  76          HB2       MET  76   4.912   9.911   1.287
  623   2HB   MET  76          HB3       MET  76   3.354   9.322   0.708
  624   1HG   MET  76          HG2       MET  76   3.345   7.718   2.686
  625   2HG   MET  76          HG3       MET  76   4.790   8.567   3.268
  626   1HE   MET  76          HE1       MET  76   2.252   8.099   5.028
  627   2HE   MET  76          HE2       MET  76   3.643   9.040   5.613
  628   3HE   MET  76          HE3       MET  76   1.998   9.694   5.773
  629    H    VAL  77           H        VAL  77   7.259   9.139   0.750
  630    HA   VAL  77           HA       VAL  77   8.514   6.943   2.319
  631    HB   VAL  77           HB       VAL  77  10.608   7.427   1.228
  632   1HG1  VAL  77          HG11      VAL  77   9.162   5.612   0.391
  633   2HG1  VAL  77          HG12      VAL  77   8.499   6.724  -0.832
  634   3HG1  VAL  77          HG13      VAL  77  10.223   6.296  -0.847
  635   1HG2  VAL  77          HG21      VAL  77  10.791   8.738  -0.814
  636   2HG2  VAL  77          HG22      VAL  77   9.097   9.242  -0.672
  637   3HG2  VAL  77          HG23      VAL  77  10.293   9.748   0.551
  638    H    THR  78           H        THR  78  10.296   7.468   3.589
  639    HA   THR  78           HA       THR  78  10.703  10.307   4.320
  640    HB   THR  78           HB       THR  78  10.833   9.668   6.746
  641    HG1  THR  78           HG1      THR  78  10.950   7.437   6.528
  642   1HG2  THR  78          HG21      THR  78   8.452   9.730   7.201
  643   2HG2  THR  78          HG22      THR  78   8.815  10.804   5.839
  644   3HG2  THR  78          HG23      THR  78   8.071   9.214   5.544
  645    H    LYS  79           H        LYS  79  12.366   9.736   2.780
  646    HA   LYS  79           HA       LYS  79  14.546   7.950   3.340
  647   1HB   LYS  79          HB2       LYS  79  14.114  10.327   1.501
  648   2HB   LYS  79          HB3       LYS  79  15.698   9.557   1.619
  649   1HG   LYS  79          HG2       LYS  79  14.665   7.355   1.043
  650   2HG   LYS  79          HG3       LYS  79  13.106   8.171   0.804
  651   1HD   LYS  79          HD2       LYS  79  14.081   9.561  -0.980
  652   2HD   LYS  79          HD3       LYS  79  15.683   8.855  -0.680
  653   1HE   LYS  79          HE2       LYS  79  14.789   6.605  -1.286
  654   2HE   LYS  79          HE3       LYS  79  13.222   7.337  -1.663
  655   1HZ   LYS  79          HZ1       LYS  79  14.645   7.055  -3.655
  656   2HZ   LYS  79          HZ2       LYS  79  14.313   8.638  -3.405
  657   3HZ   LYS  79          HZ3       LYS  79  15.780   8.030  -3.018
  658    HA   PRO  80           HA       PRO  80  16.963  10.192   6.261
  659   1HB   PRO  80          HB2       PRO  80  19.525   9.372   5.770
  660   2HB   PRO  80          HB3       PRO  80  18.245   8.269   6.354
  661   1HG   PRO  80          HG2       PRO  80  19.144   8.710   3.485
  662   2HG   PRO  80          HG3       PRO  80  18.973   7.152   4.360
  663   1HD   PRO  80          HD2       PRO  80  17.006   8.089   2.751
  664   2HD   PRO  80          HD3       PRO  80  16.616   7.264   4.288
  665    H    LYS  81           H        LYS  81  17.160  11.146   3.026
  666    HA   LYS  81           HA       LYS  81  19.274  13.052   2.981
  667   1HB   LYS  81          HB2       LYS  81  18.226  13.926   1.016
  668   2HB   LYS  81          HB3       LYS  81  18.054  12.175   0.995
  669   1HG   LYS  81          HG2       LYS  81  15.687  12.423   1.812
  670   2HG   LYS  81          HG3       LYS  81  15.887  14.186   1.776
  671   1HD   LYS  81          HD2       LYS  81  16.388  14.054  -0.671
  672   2HD   LYS  81          HD3       LYS  81  16.074  12.308  -0.618
  673   1HE   LYS  81          HE2       LYS  81  13.765  12.740   0.175
  674   2HE   LYS  81          HE3       LYS  81  14.081  14.479   0.187
  675   1HZ   LYS  81          HZ1       LYS  81  14.413  14.374  -2.228
  676   2HZ   LYS  81          HZ2       LYS  81  14.124  12.766  -2.245
  677   3HZ   LYS  81          HZ3       LYS  81  12.933  13.806  -1.844
  678    H    ALA  82           H        ALA  82  19.094  15.376   2.797
  679    HA   ALA  82           HA       ALA  82  17.060  16.640   4.595
  680   1HB   ALA  82          HB1       ALA  82  20.043  17.240   4.472
  681   2HB   ALA  82          HB2       ALA  82  18.833  18.138   5.413
  682   3HB   ALA  82          HB3       ALA  82  19.179  16.443   5.805
  683    H    VAL  83           H        VAL  83  15.767  17.412   3.085
  684    HA   VAL  83           HA       VAL  83  16.717  19.516   1.199
  685    HB   VAL  83           HB       VAL  83  14.835  17.232   0.442
  686   1HG1  VAL  83          HG11      VAL  83  15.917  19.560  -1.209
  687   2HG1  VAL  83          HG12      VAL  83  15.016  18.178  -1.861
  688   3HG1  VAL  83          HG13      VAL  83  14.217  19.281  -0.752
  689   1HG2  VAL  83          HG21      VAL  83  16.594  16.602  -1.210
  690   2HG2  VAL  83          HG22      VAL  83  17.684  17.797  -0.479
  691   3HG2  VAL  83          HG23      VAL  83  17.132  16.389   0.454
  692    H    SER  84           H        SER  84  15.223  21.160   0.862
  693    HA   SER  84           HA       SER  84  12.657  21.090   2.400
  694   1HB   SER  84          HB2       SER  84  14.668  23.358   2.250
  695   2HB   SER  84          HB3       SER  84  13.054  23.465   2.971
  696    HG   SER  84           HG       SER  84  14.703  23.028   4.528
  697    H    THR  85           H        THR  85  11.084  22.673  -0.429
  698    HA   THR  85           HA       THR  85  10.790  20.606   1.598
  699    HB   THR  85           HB       THR  85  10.901  22.631   3.007
  700    HG1  THR  85           HG1      THR  85   9.633  20.918   3.657
  701   1HG2  THR  85          HG21      THR  85   9.160  24.304   3.034
  702   2HG2  THR  85          HG22      THR  85   9.950  24.324   1.449
  703   3HG2  THR  85          HG23      THR  85   8.350  23.567   1.639
  Start of MODEL   14
    1   1H    GLY   1           H1       GLY   1 -13.275 -12.177  -1.245
    2   2H    GLY   1           H2       GLY   1 -13.746 -12.846   0.172
    3   3H    GLY   1           H3       GLY   1 -14.670 -13.034  -1.168
    4   1HA   GLY   1          HA2       GLY   1 -13.486 -15.072  -0.715
    5   2HA   GLY   1          HA3       GLY   1 -12.962 -14.344  -2.243
    6    H    SER   2           H        SER   2 -11.069 -15.783  -1.781
    7    HA   SER   2           HA       SER   2  -9.305 -15.416   0.389
    8   1HB   SER   2          HB2       SER   2  -8.628 -16.416  -2.400
    9   2HB   SER   2          HB3       SER   2  -7.737 -16.748  -0.903
   10    HG   SER   2           HG       SER   2  -9.151 -18.470  -1.448
   11    H    HIS   3           H        HIS   3  -9.661 -13.279  -2.291
   12    HA   HIS   3           HA       HIS   3  -7.141 -11.861  -1.599
   13   1HB   HIS   3          HB2       HIS   3  -8.053 -12.498  -4.428
   14   2HB   HIS   3          HB3       HIS   3  -6.654 -11.525  -3.978
   15    HD1  HIS   3           HD1      HIS   3  -7.451 -14.989  -4.911
   16    HD2  HIS   3           HD2      HIS   3  -4.739 -13.012  -2.371
   17    HE1  HIS   3           HE1      HIS   3  -5.578 -16.653  -4.432
   18    H    MET   4           H        MET   4  -7.055  -9.687  -2.308
   19    HA   MET   4           HA       MET   4  -9.601  -8.259  -2.922
   20   1HB   MET   4          HB2       MET   4  -9.369  -8.246  -0.492
   21   2HB   MET   4          HB3       MET   4  -7.668  -7.771  -0.610
   22   1HG   MET   4          HG2       MET   4  -8.330  -5.613  -1.593
   23   2HG   MET   4          HG3       MET   4 -10.033  -6.061  -1.468
   24   1HE   MET   4          HE1       MET   4 -10.775  -5.810   2.322
   25   2HE   MET   4          HE2       MET   4 -11.452  -5.872   0.682
   26   3HE   MET   4          HE3       MET   4 -10.545  -7.261   1.325
   27    H    GLN   5           H        GLN   5  -9.270  -6.484  -4.240
   28    HA   GLN   5           HA       GLN   5  -6.482  -5.876  -5.077
   29   1HB   GLN   5          HB2       GLN   5  -8.983  -4.887  -6.451
   30   2HB   GLN   5          HB3       GLN   5  -7.314  -4.923  -7.035
   31   1HG   GLN   5          HG2       GLN   5  -7.428  -7.439  -7.055
   32   2HG   GLN   5          HG3       GLN   5  -9.129  -7.337  -6.611
   33   1HE2  GLN   5          HE21      GLN   5 -10.653  -6.389  -8.155
   34   2HE2  GLN   5          HE22      GLN   5 -10.209  -6.328  -9.871
   35    H    VAL   6           H        VAL   6  -5.700  -3.755  -5.052
   36    HA   VAL   6           HA       VAL   6  -7.252  -1.654  -3.610
   37    HB   VAL   6           HB       VAL   6  -4.406  -2.459  -2.867
   38   1HG1  VAL   6          HG11      VAL   6  -4.833  -0.939  -0.923
   39   2HG1  VAL   6          HG12      VAL   6  -4.867  -0.086  -2.459
   40   3HG1  VAL   6          HG13      VAL   6  -6.388  -0.479  -1.662
   41   1HG2  VAL   6          HG21      VAL   6  -7.013  -3.023  -1.385
   42   2HG2  VAL   6          HG22      VAL   6  -5.866  -4.222  -2.023
   43   3HG2  VAL   6          HG23      VAL   6  -5.394  -3.189  -0.678
   44    H    THR   7           H        THR   7  -6.744   0.415  -4.214
   45    HA   THR   7           HA       THR   7  -5.074   0.763  -6.669
   46    HB   THR   7           HB       THR   7  -7.235   2.532  -5.465
   47    HG1  THR   7           HG1      THR   7  -8.249   0.788  -6.210
   48   1HG2  THR   7          HG21      THR   7  -5.779   3.859  -6.859
   49   2HG2  THR   7          HG22      THR   7  -5.827   2.644  -8.160
   50   3HG2  THR   7          HG23      THR   7  -7.288   3.564  -7.732
   51    H    LEU   8           H        LEU   8  -3.205   1.873  -6.524
   52    HA   LEU   8           HA       LEU   8  -2.553   3.255  -3.943
   53   1HB   LEU   8          HB2       LEU   8  -0.592   1.894  -5.807
   54   2HB   LEU   8          HB3       LEU   8  -0.328   2.470  -4.170
   55    HG   LEU   8           HG       LEU   8  -1.842   0.017  -5.110
   56   1HD1  LEU   8          HD11      LEU   8  -0.206  -1.137  -3.672
   57   2HD1  LEU   8          HD12      LEU   8   0.592  -0.108  -4.872
   58   3HD1  LEU   8          HD13      LEU   8   0.497   0.425  -3.189
   59   1HD2  LEU   8          HD21      LEU   8  -2.315  -0.474  -2.705
   60   2HD2  LEU   8          HD22      LEU   8  -1.627   1.102  -2.240
   61   3HD2  LEU   8          HD23      LEU   8  -3.111   1.024  -3.189
   62    H    LYS   9           H        LYS   9  -2.153   5.338  -4.057
   63    HA   LYS   9           HA       LYS   9  -1.153   6.665  -6.547
   64   1HB   LYS   9          HB2       LYS   9  -2.392   7.747  -3.967
   65   2HB   LYS   9          HB3       LYS   9  -1.698   8.767  -5.236
   66   1HG   LYS   9          HG2       LYS   9  -3.247   7.696  -6.869
   67   2HG   LYS   9          HG3       LYS   9  -4.081   6.897  -5.515
   68   1HD   LYS   9          HD2       LYS   9  -4.622   9.107  -4.566
   69   2HD   LYS   9          HD3       LYS   9  -3.746   9.922  -5.866
   70   1HE   LYS   9          HE2       LYS   9  -6.130   8.064  -6.295
   71   2HE   LYS   9          HE3       LYS   9  -6.260   9.818  -6.168
   72   1HZ   LYS   9          HZ1       LYS   9  -6.141   9.090  -8.490
   73   2HZ   LYS   9          HZ2       LYS   9  -4.860  10.032  -8.132
   74   3HZ   LYS   9          HZ3       LYS   9  -4.668   8.415  -8.266
   75    H    THR  10           H        THR  10   0.531   8.270  -6.336
   76    HA   THR  10           HA       THR  10   2.455   7.926  -4.059
   77    HB   THR  10           HB       THR  10   4.297   7.814  -5.684
   78    HG1  THR  10           HG1      THR  10   2.287   7.410  -7.634
   79   1HG2  THR  10          HG21      THR  10   3.374   5.673  -4.847
   80   2HG2  THR  10          HG22      THR  10   2.275   5.607  -6.242
   81   3HG2  THR  10          HG23      THR  10   4.031   5.543  -6.490
   82    H    LEU  11           H        LEU  11   4.178   9.585  -4.011
   83    HA   LEU  11           HA       LEU  11   3.328  12.296  -4.402
   84   1HB   LEU  11          HB2       LEU  11   6.056  11.002  -3.964
   85   2HB   LEU  11          HB3       LEU  11   5.871  12.727  -4.175
   86    HG   LEU  11           HG       LEU  11   6.127  12.243  -1.877
   87   1HD1  LEU  11          HD11      LEU  11   3.217  13.025  -2.303
   88   2HD1  LEU  11          HD12      LEU  11   4.250  13.414  -0.915
   89   3HD1  LEU  11          HD13      LEU  11   4.612  14.115  -2.502
   90   1HD2  LEU  11          HD21      LEU  11   3.562  10.618  -1.888
   91   2HD2  LEU  11          HD22      LEU  11   5.207   9.934  -1.842
   92   3HD2  LEU  11          HD23      LEU  11   4.632  10.966  -0.518
   93    H    GLN  12           H        GLN  12   4.830  10.038  -6.569
   94    HA   GLN  12           HA       GLN  12   5.612  11.958  -8.608
   95   1HB   GLN  12          HB2       GLN  12   5.366   8.912  -8.604
   96   2HB   GLN  12          HB3       GLN  12   6.006   9.874  -9.930
   97   1HG   GLN  12          HG2       GLN  12   7.887   9.054  -8.791
   98   2HG   GLN  12          HG3       GLN  12   7.784  10.775  -8.457
   99   1HE2  GLN  12          HE21      GLN  12   9.206  10.431  -6.587
  100   2HE2  GLN  12          HE22      GLN  12   8.549   9.701  -5.128
  101    H    GLN  13           H        GLN  13   2.649  11.533  -7.607
  102    HA   GLN  13           HA       GLN  13   0.593  11.966  -8.417
  103   1HB   GLN  13          HB2       GLN  13   2.323  13.461 -10.404
  104   2HB   GLN  13          HB3       GLN  13   0.581  13.704 -10.258
  105   1HG   GLN  13          HG2       GLN  13   0.728  14.871  -8.315
  106   2HG   GLN  13          HG3       GLN  13   2.005  13.876  -7.650
  107   1HE2  GLN  13          HE21      GLN  13   4.102  14.670  -7.653
  108   2HE2  GLN  13          HE22      GLN  13   4.567  16.138  -8.517
  109    H    GLN  14           H        GLN  14   1.214   9.452  -8.999
  110    HA   GLN  14           HA       GLN  14  -0.346   8.863 -11.423
  111   1HB   GLN  14          HB2       GLN  14   1.266   7.111 -12.107
  112   2HB   GLN  14          HB3       GLN  14   1.889   8.756 -12.254
  113   1HG   GLN  14          HG2       GLN  14   3.068   8.338  -9.980
  114   2HG   GLN  14          HG3       GLN  14   2.654   6.636 -10.213
  115   1HE2  GLN  14          HE21      GLN  14   4.389   9.438 -11.627
  116   2HE2  GLN  14          HE22      GLN  14   5.510   8.459 -12.580
  117    H    THR  15           H        THR  15  -1.137   6.645 -11.441
  118    HA   THR  15           HA       THR  15  -1.427   5.468  -8.730
  119    HB   THR  15           HB       THR  15  -3.840   5.775 -10.504
  120    HG1  THR  15           HG1      THR  15  -3.116   7.869 -10.190
  121   1HG2  THR  15          HG21      THR  15  -3.461   5.555  -7.500
  122   2HG2  THR  15          HG22      THR  15  -5.023   5.754  -8.314
  123   3HG2  THR  15          HG23      THR  15  -4.051   4.286  -8.576
  124    H    PHE  16           H        PHE  16  -1.688   3.257  -8.655
  125    HA   PHE  16           HA       PHE  16  -2.283   1.695 -11.105
  126   1HB   PHE  16          HB2       PHE  16  -0.306   0.281 -10.821
  127   2HB   PHE  16          HB3       PHE  16   0.159   1.937 -11.159
  128    HD1  PHE  16           HD1      PHE  16   1.145   3.383  -9.364
  129    HD2  PHE  16           HD2      PHE  16   0.295  -0.811  -8.684
  130    HE1  PHE  16           HE1      PHE  16   2.535   3.414  -7.302
  131    HE2  PHE  16           HE2      PHE  16   1.716  -0.754  -6.674
  132    HZ   PHE  16           HZ       PHE  16   2.763   1.354  -5.924
  133    H    LYS  17           H        LYS  17  -2.961  -0.521 -10.605
  134    HA   LYS  17           HA       LYS  17  -3.821  -0.868  -7.788
  135   1HB   LYS  17          HB2       LYS  17  -4.967  -2.102 -10.315
  136   2HB   LYS  17          HB3       LYS  17  -5.597  -2.215  -8.665
  137   1HG   LYS  17          HG2       LYS  17  -5.678   0.415  -8.768
  138   2HG   LYS  17          HG3       LYS  17  -5.553   0.193 -10.527
  139   1HD   LYS  17          HD2       LYS  17  -7.483  -1.361 -10.418
  140   2HD   LYS  17          HD3       LYS  17  -7.580  -1.056  -8.659
  141   1HE   LYS  17          HE2       LYS  17  -7.844   1.427  -9.263
  142   2HE   LYS  17          HE3       LYS  17  -8.138   0.899 -10.925
  143   1HZ   LYS  17          HZ1       LYS  17 -10.213   1.136  -9.675
  144   2HZ   LYS  17          HZ2       LYS  17 -10.010  -0.441 -10.052
  145   3HZ   LYS  17          HZ3       LYS  17  -9.718   0.085  -8.526
  146    H    ILE  18           H        ILE  18  -3.657  -2.651  -6.725
  147    HA   ILE  18           HA       ILE  18  -1.794  -4.834  -7.585
  148    HB   ILE  18           HB       ILE  18  -1.942  -3.213  -4.994
  149   1HG1  ILE  18          HG12      ILE  18  -0.781  -1.892  -6.590
  150   2HG1  ILE  18          HG13      ILE  18   0.408  -2.581  -5.504
  151   1HG2  ILE  18          HG21      ILE  18  -0.220  -5.632  -5.614
  152   2HG2  ILE  18          HG22      ILE  18   0.121  -4.483  -4.297
  153   3HG2  ILE  18          HG23      ILE  18  -1.374  -5.410  -4.288
  154   1HD1  ILE  18          HD11      ILE  18   1.437  -2.825  -7.590
  155   2HD1  ILE  18          HD12      ILE  18   0.706  -4.418  -7.376
  156   3HD1  ILE  18          HD13      ILE  18  -0.067  -3.228  -8.414
  157    H    ASP  19           H        ASP  19  -2.111  -6.857  -6.309
  158    HA   ASP  19           HA       ASP  19  -4.612  -7.000  -4.766
  159   1HB   ASP  19          HB2       ASP  19  -5.496  -8.870  -5.860
  160   2HB   ASP  19          HB3       ASP  19  -5.190  -7.645  -7.086
  161    H    ILE  20           H        ILE  20  -4.541  -8.272  -3.047
  162    HA   ILE  20           HA       ILE  20  -2.447 -10.275  -2.593
  163    HB   ILE  20           HB       ILE  20  -1.613  -9.384  -0.562
  164   1HG1  ILE  20          HG12      ILE  20  -3.357  -8.286   0.530
  165   2HG1  ILE  20          HG13      ILE  20  -2.097  -7.103   0.288
  166   1HG2  ILE  20          HG21      ILE  20  -0.413  -8.626  -2.552
  167   2HG2  ILE  20          HG22      ILE  20  -1.387  -7.146  -2.600
  168   3HG2  ILE  20          HG23      ILE  20  -0.290  -7.458  -1.247
  169   1HD1  ILE  20          HD11      ILE  20  -3.464  -6.261  -1.737
  170   2HD1  ILE  20          HD12      ILE  20  -4.776  -7.294  -1.125
  171   3HD1  ILE  20          HD13      ILE  20  -4.157  -5.983  -0.129
  172    H    ASP  21           H        ASP  21  -2.844 -11.344  -0.336
  173    HA   ASP  21           HA       ASP  21  -5.673 -11.980   0.032
  174   1HB   ASP  21          HB2       ASP  21  -3.890 -13.626   0.290
  175   2HB   ASP  21          HB3       ASP  21  -3.195 -12.705   1.615
  176    HA   PRO  22           HA       PRO  22  -6.119  -8.290   2.618
  177   1HB   PRO  22          HB2       PRO  22  -8.742  -8.519   3.381
  178   2HB   PRO  22          HB3       PRO  22  -8.216  -8.051   1.742
  179   1HG   PRO  22          HG2       PRO  22  -8.983 -10.820   2.724
  180   2HG   PRO  22          HG3       PRO  22  -9.604  -9.959   1.277
  181   1HD   PRO  22          HD2       PRO  22  -7.601 -11.755   1.065
  182   2HD   PRO  22          HD3       PRO  22  -7.546 -10.225   0.132
  183    H    GLU  23           H        GLU  23  -6.314 -11.534   3.864
  184    HA   GLU  23           HA       GLU  23  -6.487 -10.626   6.683
  185   1HB   GLU  23          HB2       GLU  23  -6.093 -13.405   5.519
  186   2HB   GLU  23          HB3       GLU  23  -6.246 -13.005   7.231
  187   1HG   GLU  23          HG2       GLU  23  -8.500 -11.980   6.749
  188   2HG   GLU  23          HG3       GLU  23  -8.385 -12.592   5.100
  189    H    GLU  24           H        GLU  24  -4.048 -10.573   4.381
  190    HA   GLU  24           HA       GLU  24  -1.847 -11.089   6.324
  191   1HB   GLU  24          HB2       GLU  24  -1.810 -10.144   3.429
  192   2HB   GLU  24          HB3       GLU  24  -0.390 -10.354   4.440
  193   1HG   GLU  24          HG2       GLU  24  -2.321 -12.585   3.693
  194   2HG   GLU  24          HG3       GLU  24  -0.780 -12.265   2.906
  195    H    THR  25           H        THR  25  -0.198  -9.309   6.514
  196    HA   THR  25           HA       THR  25  -1.549  -6.868   7.452
  197    HB   THR  25           HB       THR  25   0.673  -6.266   8.344
  198    HG1  THR  25           HG1      THR  25   2.261  -7.963   8.234
  199   1HG2  THR  25          HG21      THR  25  -0.858  -7.707   9.705
  200   2HG2  THR  25          HG22      THR  25  -0.040  -9.143   9.055
  201   3HG2  THR  25          HG23      THR  25   0.856  -7.974  10.049
  202    H    VAL  26           H        VAL  26  -0.517  -4.770   7.035
  203    HA   VAL  26           HA       VAL  26  -0.476  -3.963   4.355
  204    HB   VAL  26           HB       VAL  26   1.036  -2.663   6.635
  205   1HG1  VAL  26          HG11      VAL  26  -0.063  -1.468   4.056
  206   2HG1  VAL  26          HG12      VAL  26   0.583  -0.534   5.424
  207   3HG1  VAL  26          HG13      VAL  26   1.650  -1.602   4.518
  208   1HG2  VAL  26          HG21      VAL  26  -0.949  -1.391   7.090
  209   2HG2  VAL  26          HG22      VAL  26  -1.813  -2.118   5.726
  210   3HG2  VAL  26          HG23      VAL  26  -1.405  -3.075   7.165
  211    H    LYS  27           H        LYS  27   2.194  -5.436   6.071
  212    HA   LYS  27           HA       LYS  27   4.415  -4.985   4.421
  213   1HB   LYS  27          HB2       LYS  27   3.515  -7.624   5.621
  214   2HB   LYS  27          HB3       LYS  27   5.128  -7.250   5.012
  215   1HG   LYS  27          HG2       LYS  27   5.367  -5.457   6.711
  216   2HG   LYS  27          HG3       LYS  27   3.773  -5.882   7.369
  217   1HD   LYS  27          HD2       LYS  27   4.637  -8.234   7.727
  218   2HD   LYS  27          HD3       LYS  27   6.246  -7.667   7.273
  219   1HE   LYS  27          HE2       LYS  27   4.565  -6.615   9.598
  220   2HE   LYS  27          HE3       LYS  27   5.863  -7.802   9.741
  221   1HZ   LYS  27          HZ1       LYS  27   6.184  -4.976   8.862
  222   2HZ   LYS  27          HZ2       LYS  27   6.685  -5.613  10.272
  223   3HZ   LYS  27          HZ3       LYS  27   7.400  -6.084   8.881
  224    H    ALA  28           H        ALA  28   1.623  -7.152   3.730
  225    HA   ALA  28           HA       ALA  28   2.798  -8.430   1.481
  226   1HB   ALA  28          HB1       ALA  28   0.825  -9.246   2.771
  227   2HB   ALA  28          HB2       ALA  28  -0.151  -7.916   2.109
  228   3HB   ALA  28          HB3       ALA  28   0.490  -9.168   1.024
  229    H    LEU  29           H        LEU  29   0.839  -5.442   1.619
  230    HA   LEU  29           HA       LEU  29   0.858  -4.983  -1.290
  231   1HB   LEU  29          HB2       LEU  29   0.282  -3.252   1.174
  232   2HB   LEU  29          HB3       LEU  29   0.322  -2.574  -0.442
  233    HG   LEU  29           HG       LEU  29  -1.599  -4.770   0.404
  234   1HD1  LEU  29          HD11      LEU  29  -2.057  -1.772   0.058
  235   2HD1  LEU  29          HD12      LEU  29  -3.285  -2.991   0.472
  236   3HD1  LEU  29          HD13      LEU  29  -1.984  -2.629   1.613
  237   1HD2  LEU  29          HD21      LEU  29  -1.241  -4.755  -2.013
  238   2HD2  LEU  29          HD22      LEU  29  -2.813  -4.023  -1.670
  239   3HD2  LEU  29          HD23      LEU  29  -1.432  -2.988  -2.075
  240    H    LYS  30           H        LYS  30   2.726  -3.719   1.539
  241    HA   LYS  30           HA       LYS  30   4.114  -1.977  -0.302
  242   1HB   LYS  30          HB2       LYS  30   4.859  -0.831   1.594
  243   2HB   LYS  30          HB3       LYS  30   3.315  -1.496   2.066
  244   1HG   LYS  30          HG2       LYS  30   4.437  -2.052   3.943
  245   2HG   LYS  30          HG3       LYS  30   4.881  -3.484   3.002
  246   1HD   LYS  30          HD2       LYS  30   6.978  -2.338   2.296
  247   2HD   LYS  30          HD3       LYS  30   6.532  -0.931   3.259
  248   1HE   LYS  30          HE2       LYS  30   6.999  -3.715   4.404
  249   2HE   LYS  30          HE3       LYS  30   8.212  -2.426   4.330
  250   1HZ   LYS  30          HZ1       LYS  30   7.168  -2.441   6.483
  251   2HZ   LYS  30          HZ2       LYS  30   6.765  -1.053   5.720
  252   3HZ   LYS  30          HZ3       LYS  30   5.682  -2.287   5.873
  253    H    GLU  31           H        GLU  31   5.046  -5.057   1.070
  254    HA   GLU  31           HA       GLU  31   7.807  -4.912   0.168
  255   1HB   GLU  31          HB2       GLU  31   5.967  -7.280   0.714
  256   2HB   GLU  31          HB3       GLU  31   7.655  -7.424   0.227
  257   1HG   GLU  31          HG2       GLU  31   8.364  -6.111   2.212
  258   2HG   GLU  31          HG3       GLU  31   6.703  -6.056   2.780
  259    H    LYS  32           H        LYS  32   4.705  -5.935  -1.477
  260    HA   LYS  32           HA       LYS  32   6.159  -7.084  -3.650
  261   1HB   LYS  32          HB2       LYS  32   4.120  -7.695  -4.462
  262   2HB   LYS  32          HB3       LYS  32   3.753  -7.483  -2.768
  263   1HG   LYS  32          HG2       LYS  32   1.978  -6.324  -3.588
  264   2HG   LYS  32          HG3       LYS  32   3.135  -5.006  -3.519
  265   1HD   LYS  32          HD2       LYS  32   1.956  -4.907  -5.599
  266   2HD   LYS  32          HD3       LYS  32   3.621  -5.299  -5.949
  267   1HE   LYS  32          HE2       LYS  32   3.083  -7.704  -6.169
  268   2HE   LYS  32          HE3       LYS  32   1.392  -7.387  -5.778
  269   1HZ   LYS  32          HZ1       LYS  32   1.936  -7.590  -8.212
  270   2HZ   LYS  32          HZ2       LYS  32   1.172  -6.196  -7.845
  271   3HZ   LYS  32          HZ3       LYS  32   2.770  -6.177  -8.131
  272    H    ILE  33           H        ILE  33   4.905  -3.747  -3.255
  273    HA   ILE  33           HA       ILE  33   5.225  -3.116  -6.030
  274    HB   ILE  33           HB       ILE  33   4.761  -0.878  -5.544
  275   1HG1  ILE  33          HG12      ILE  33   4.155  -0.469  -2.910
  276   2HG1  ILE  33          HG13      ILE  33   5.599  -1.464  -2.732
  277   1HG2  ILE  33          HG21      ILE  33   3.024  -2.675  -3.835
  278   2HG2  ILE  33          HG22      ILE  33   2.587  -1.127  -4.545
  279   3HG2  ILE  33          HG23      ILE  33   2.950  -2.509  -5.600
  280   1HD1  ILE  33          HD11      ILE  33   6.854   0.143  -4.168
  281   2HD1  ILE  33          HD12      ILE  33   5.363   1.085  -4.408
  282   3HD1  ILE  33          HD13      ILE  33   6.090   0.972  -2.797
  283    H    GLU  34           H        GLU  34   7.552  -3.263  -3.467
  284    HA   GLU  34           HA       GLU  34   9.557  -1.461  -4.348
  285   1HB   GLU  34          HB2       GLU  34   9.499  -2.670  -2.160
  286   2HB   GLU  34          HB3       GLU  34   9.902  -4.171  -3.007
  287   1HG   GLU  34          HG2       GLU  34  12.053  -3.158  -3.756
  288   2HG   GLU  34          HG3       GLU  34  11.625  -1.664  -2.927
  289    H    SER  35           H        SER  35   8.690  -4.705  -5.636
  290    HA   SER  35           HA       SER  35  11.144  -4.872  -7.245
  291   1HB   SER  35          HB2       SER  35  10.206  -6.856  -8.198
  292   2HB   SER  35          HB3       SER  35   9.978  -6.886  -6.439
  293    HG   SER  35           HG       SER  35   8.086  -7.531  -7.549
  294    H    GLU  36           H        GLU  36   8.083  -3.364  -7.645
  295    HA   GLU  36           HA       GLU  36   8.191  -3.247 -10.606
  296   1HB   GLU  36          HB2       GLU  36   6.225  -2.222  -8.532
  297   2HB   GLU  36          HB3       GLU  36   6.039  -2.002 -10.280
  298   1HG   GLU  36          HG2       GLU  36   5.899  -4.423 -10.601
  299   2HG   GLU  36          HG3       GLU  36   6.191  -4.696  -8.874
  300    H    LYS  37           H        LYS  37   8.522  -0.997  -7.849
  301    HA   LYS  37           HA       LYS  37   9.339   1.190  -9.752
  302   1HB   LYS  37          HB2       LYS  37   7.857   1.396  -7.100
  303   2HB   LYS  37          HB3       LYS  37   8.581   2.755  -7.959
  304   1HG   LYS  37          HG2       LYS  37   6.505   2.964  -8.812
  305   2HG   LYS  37          HG3       LYS  37   7.183   1.876 -10.016
  306   1HD   LYS  37          HD2       LYS  37   6.151  -0.019  -8.479
  307   2HD   LYS  37          HD3       LYS  37   5.214   1.303  -7.778
  308   1HE   LYS  37          HE2       LYS  37   4.430   1.927 -10.071
  309   2HE   LYS  37          HE3       LYS  37   5.367   0.593 -10.752
  310   1HZ   LYS  37          HZ1       LYS  37   3.043  -0.011 -10.460
  311   2HZ   LYS  37          HZ2       LYS  37   3.930  -0.972  -9.498
  312   3HZ   LYS  37          HZ3       LYS  37   3.100   0.291  -8.861
  313    H    GLY  38           H        GLY  38  10.666  -0.874  -7.515
  314   1HA   GLY  38          HA2       GLY  38  12.945  -1.093  -7.237
  315   2HA   GLY  38          HA3       GLY  38  13.206   0.585  -7.689
  316    H    LYS  39           H        LYS  39  14.069  -1.212  -5.368
  317    HA   LYS  39           HA       LYS  39  13.258  -0.098  -2.884
  318   1HB   LYS  39          HB2       LYS  39  14.522  -2.178  -3.255
  319   2HB   LYS  39          HB3       LYS  39  15.913  -1.276  -3.840
  320   1HG   LYS  39          HG2       LYS  39  14.805  -0.643  -1.114
  321   2HG   LYS  39          HG3       LYS  39  15.665  -2.163  -1.315
  322   1HD   LYS  39          HD2       LYS  39  16.882   0.500  -2.127
  323   2HD   LYS  39          HD3       LYS  39  17.027  -0.175  -0.494
  324   1HE   LYS  39          HE2       LYS  39  18.062  -2.231  -1.443
  325   2HE   LYS  39          HE3       LYS  39  17.941  -1.546  -3.068
  326   1HZ   LYS  39          HZ1       LYS  39  20.147  -1.194  -2.122
  327   2HZ   LYS  39          HZ2       LYS  39  19.427   0.253  -2.343
  328   3HZ   LYS  39          HZ3       LYS  39  19.537  -0.387  -0.843
  329    H    ASP  40           H        ASP  40  15.348   1.161  -5.367
  330    HA   ASP  40           HA       ASP  40  16.616   3.297  -3.986
  331   1HB   ASP  40          HB2       ASP  40  17.197   2.396  -6.235
  332   2HB   ASP  40          HB3       ASP  40  15.728   3.119  -6.891
  333    H    ALA  41           H        ALA  41  13.257   3.026  -4.949
  334    HA   ALA  41           HA       ALA  41  12.791   5.907  -4.258
  335   1HB   ALA  41          HB1       ALA  41  12.607   5.489  -6.681
  336   2HB   ALA  41          HB2       ALA  41  11.395   4.223  -6.372
  337   3HB   ALA  41          HB3       ALA  41  11.039   5.916  -5.969
  338    H    PHE  42           H        PHE  42  11.686   2.588  -3.799
  339    HA   PHE  42           HA       PHE  42   9.904   3.518  -1.604
  340   1HB   PHE  42          HB2       PHE  42   9.101   1.544  -3.767
  341   2HB   PHE  42          HB3       PHE  42   8.215   1.846  -2.278
  342    HD1  PHE  42           HD1      PHE  42   7.047   4.021  -1.883
  343    HD2  PHE  42           HD2      PHE  42   8.982   3.104  -5.628
  344    HE1  PHE  42           HE1      PHE  42   5.825   5.887  -2.973
  345    HE2  PHE  42           HE2      PHE  42   7.755   4.976  -6.716
  346    HZ   PHE  42           HZ       PHE  42   6.191   6.372  -5.386
  347    HA   PRO  43           HA       PRO  43  12.772   0.025  -0.409
  348   1HB   PRO  43          HB2       PRO  43  13.893   1.141   1.812
  349   2HB   PRO  43          HB3       PRO  43  14.522   1.405   0.161
  350   1HG   PRO  43          HG2       PRO  43  12.672   3.174   1.758
  351   2HG   PRO  43          HG3       PRO  43  14.134   3.648   0.828
  352   1HD   PRO  43          HD2       PRO  43  11.593   3.893  -0.152
  353   2HD   PRO  43          HD3       PRO  43  12.975   3.503  -1.214
  354    H    VAL  44           H        VAL  44  11.902  -1.570   0.811
  355    HA   VAL  44           HA       VAL  44   9.612  -1.396   2.485
  356    HB   VAL  44           HB       VAL  44  11.876  -3.358   2.147
  357   1HG1  VAL  44          HG11      VAL  44  10.742  -5.015   3.550
  358   2HG1  VAL  44          HG12      VAL  44  11.340  -3.664   4.518
  359   3HG1  VAL  44          HG13      VAL  44   9.611  -3.786   4.131
  360   1HG2  VAL  44          HG21      VAL  44   8.858  -3.566   1.772
  361   2HG2  VAL  44          HG22      VAL  44   9.983  -3.083   0.492
  362   3HG2  VAL  44          HG23      VAL  44  10.095  -4.707   1.190
  363    H    ALA  45           H        ALA  45  12.964  -0.770   3.325
  364    HA   ALA  45           HA       ALA  45  12.602  -0.609   6.175
  365   1HB   ALA  45          HB1       ALA  45  14.877   0.338   6.075
  366   2HB   ALA  45          HB2       ALA  45  14.749  -1.080   5.018
  367   3HB   ALA  45          HB3       ALA  45  14.720   0.560   4.320
  368    H    GLY  46           H        GLY  46  11.584   1.625   3.738
  369   1HA   GLY  46          HA2       GLY  46  11.469   3.888   5.699
  370   2HA   GLY  46          HA3       GLY  46  12.361   4.073   4.193
  371    H    GLN  47           H        GLN  47   9.728   2.230   3.260
  372    HA   GLN  47           HA       GLN  47   8.191   4.645   2.502
  373   1HB   GLN  47          HB2       GLN  47   6.913   3.284   1.073
  374   2HB   GLN  47          HB3       GLN  47   8.610   2.847   0.868
  375   1HG   GLN  47          HG2       GLN  47   8.237   0.855   2.357
  376   2HG   GLN  47          HG3       GLN  47   6.536   1.302   2.486
  377   1HE2  GLN  47          HE21      GLN  47   8.825  -0.451   0.565
  378   2HE2  GLN  47          HE22      GLN  47   7.608  -0.949  -0.599
  379    H    LYS  48           H        LYS  48   5.943   4.869   2.810
  380    HA   LYS  48           HA       LYS  48   4.659   3.671   5.237
  381   1HB   LYS  48          HB2       LYS  48   4.862   6.657   4.632
  382   2HB   LYS  48          HB3       LYS  48   3.985   5.913   5.973
  383   1HG   LYS  48          HG2       LYS  48   6.190   4.999   6.815
  384   2HG   LYS  48          HG3       LYS  48   7.000   5.950   5.546
  385   1HD   LYS  48          HD2       LYS  48   6.016   8.029   6.473
  386   2HD   LYS  48          HD3       LYS  48   5.213   7.077   7.744
  387   1HE   LYS  48          HE2       LYS  48   7.435   6.284   8.540
  388   2HE   LYS  48          HE3       LYS  48   8.228   7.252   7.292
  389   1HZ   LYS  48          HZ1       LYS  48   7.283   9.248   8.341
  390   2HZ   LYS  48          HZ2       LYS  48   6.550   8.349   9.490
  391   3HZ   LYS  48          HZ3       LYS  48   8.177   8.420   9.427
  392    H    LEU  49           H        LEU  49   2.292   4.086   5.275
  393    HA   LEU  49           HA       LEU  49   1.087   4.731   2.624
  394   1HB   LEU  49          HB2       LEU  49   0.695   2.108   4.134
  395   2HB   LEU  49          HB3       LEU  49  -0.372   2.720   2.876
  396    HG   LEU  49           HG       LEU  49   1.839   2.854   1.437
  397   1HD1  LEU  49          HD11      LEU  49   3.370   1.993   3.286
  398   2HD1  LEU  49          HD12      LEU  49   2.449   0.489   3.277
  399   3HD1  LEU  49          HD13      LEU  49   3.364   1.002   1.835
  400   1HD2  LEU  49          HD21      LEU  49   0.345   0.266   2.023
  401   2HD2  LEU  49          HD22      LEU  49  -0.109   1.517   0.847
  402   3HD2  LEU  49          HD23      LEU  49   1.357   0.570   0.590
  403    H    ILE  50           H        ILE  50  -0.971   5.409   2.645
  404    HA   ILE  50           HA       ILE  50  -2.465   5.941   5.200
  405    HB   ILE  50           HB       ILE  50  -1.593   7.750   2.940
  406   1HG1  ILE  50          HG12      ILE  50  -0.333   7.676   5.119
  407   2HG1  ILE  50          HG13      ILE  50  -0.874   9.259   4.577
  408   1HG2  ILE  50          HG21      ILE  50  -3.194   9.515   3.694
  409   2HG2  ILE  50          HG22      ILE  50  -3.939   8.178   2.826
  410   3HG2  ILE  50          HG23      ILE  50  -4.078   8.267   4.601
  411   1HD1  ILE  50          HD11      ILE  50  -2.237   7.612   6.741
  412   2HD1  ILE  50          HD12      ILE  50  -1.163   9.000   6.997
  413   3HD1  ILE  50          HD13      ILE  50  -2.731   9.231   6.213
  414    H    TYR  51           H        TYR  51  -4.657   5.713   5.090
  415    HA   TYR  51           HA       TYR  51  -5.947   5.284   2.429
  416   1HB   TYR  51          HB2       TYR  51  -5.707   3.141   3.565
  417   2HB   TYR  51          HB3       TYR  51  -6.528   3.769   4.988
  418    HD1  TYR  51           HD1      TYR  51  -7.203   3.781   1.252
  419    HD2  TYR  51           HD2      TYR  51  -8.679   2.845   5.197
  420    HE1  TYR  51           HE1      TYR  51  -9.353   3.022   0.268
  421    HE2  TYR  51           HE2      TYR  51 -10.818   2.056   4.205
  422    HH   TYR  51           HH       TYR  51 -12.014   1.729   2.298
  423    H    ALA  52           H        ALA  52  -6.628   7.285   2.200
  424    HA   ALA  52           HA       ALA  52  -7.904   9.111   2.274
  425   1HB   ALA  52          HB1       ALA  52  -9.509   7.288   1.851
  426   2HB   ALA  52          HB2       ALA  52  -9.884   7.221   3.589
  427   3HB   ALA  52          HB3       ALA  52 -10.268   8.678   2.646
  428    H    GLY  53           H        GLY  53  -6.375   8.601   4.982
  429   1HA   GLY  53          HA2       GLY  53  -6.267  10.882   6.228
  430   2HA   GLY  53          HA3       GLY  53  -7.915  10.485   6.727
  431    H    LYS  54           H        LYS  54  -6.460   7.540   6.618
  432    HA   LYS  54           HA       LYS  54  -5.537   7.555   9.457
  433   1HB   LYS  54          HB2       LYS  54  -7.808   6.725   9.206
  434   2HB   LYS  54          HB3       LYS  54  -7.350   5.686   7.852
  435   1HG   LYS  54          HG2       LYS  54  -5.984   4.306   9.267
  436   2HG   LYS  54          HG3       LYS  54  -6.263   5.354  10.666
  437   1HD   LYS  54          HD2       LYS  54  -8.365   3.721   9.167
  438   2HD   LYS  54          HD3       LYS  54  -7.643   3.259  10.702
  439   1HE   LYS  54          HE2       LYS  54  -9.368   5.738  10.247
  440   2HE   LYS  54          HE3       LYS  54  -9.938   4.205  10.904
  441   1HZ   LYS  54          HZ1       LYS  54  -7.888   5.929  12.188
  442   2HZ   LYS  54          HZ2       LYS  54  -9.429   5.747  12.683
  443   3HZ   LYS  54          HZ3       LYS  54  -8.399   4.488  12.771
  444    H    ILE  55           H        ILE  55  -3.886   6.070   9.963
  445    HA   ILE  55           HA       ILE  55  -2.027   5.590   7.698
  446    HB   ILE  55           HB       ILE  55  -1.651   5.438  10.719
  447   1HG1  ILE  55          HG12      ILE  55  -0.573   7.518   8.763
  448   2HG1  ILE  55          HG13      ILE  55  -2.053   7.754   9.687
  449   1HG2  ILE  55          HG21      ILE  55   0.793   5.317  10.197
  450   2HG2  ILE  55          HG22      ILE  55  -0.063   3.921   9.576
  451   3HG2  ILE  55          HG23      ILE  55   0.410   5.226   8.467
  452   1HD1  ILE  55          HD11      ILE  55   0.736   7.453  10.851
  453   2HD1  ILE  55          HD12      ILE  55  -0.290   8.893  10.823
  454   3HD1  ILE  55          HD13      ILE  55  -0.766   7.497  11.809
  455    H    LEU  56           H        LEU  56  -1.626   3.655   6.875
  456    HA   LEU  56           HA       LEU  56  -3.009   1.249   7.868
  457   1HB   LEU  56          HB2       LEU  56  -1.143   1.734   5.509
  458   2HB   LEU  56          HB3       LEU  56  -1.936   0.211   5.871
  459    HG   LEU  56           HG       LEU  56  -3.298   2.789   5.034
  460   1HD1  LEU  56          HD11      LEU  56  -3.971   1.442   3.094
  461   2HD1  LEU  56          HD12      LEU  56  -2.210   1.434   3.247
  462   3HD1  LEU  56          HD13      LEU  56  -3.146   0.019   3.758
  463   1HD2  LEU  56          HD21      LEU  56  -5.395   1.364   5.019
  464   2HD2  LEU  56          HD22      LEU  56  -4.498   0.133   5.926
  465   3HD2  LEU  56          HD23      LEU  56  -4.791   1.743   6.631
  466    H    ASN  57           H        ASN  57  -2.185   0.564   9.755
  467    HA   ASN  57           HA       ASN  57   0.539   0.743  10.548
  468   1HB   ASN  57          HB2       ASN  57  -1.453   0.622  12.073
  469   2HB   ASN  57          HB3       ASN  57  -1.666  -1.070  11.596
  470   1HD2  ASN  57          HD21      ASN  57  -1.035  -2.304  13.349
  471   2HD2  ASN  57          HD22      ASN  57   0.465  -2.034  14.238
  472    H    ASP  58           H        ASP  58   2.260  -0.550  10.292
  473    HA   ASP  58           HA       ASP  58   2.166  -2.640   8.383
  474   1HB   ASP  58          HB2       ASP  58   4.016  -0.915   8.948
  475   2HB   ASP  58          HB3       ASP  58   4.531  -2.069  10.181
  476    H    ASP  59           H        ASP  59   1.289  -3.009  11.531
  477    HA   ASP  59           HA       ASP  59   2.027  -5.905  11.601
  478   1HB   ASP  59          HB2       ASP  59   3.263  -4.413  13.222
  479   2HB   ASP  59          HB3       ASP  59   1.717  -4.041  13.980
  480    H    THR  60           H        THR  60  -0.449  -4.292  10.648
  481    HA   THR  60           HA       THR  60  -2.535  -5.879  12.108
  482    HB   THR  60           HB       THR  60  -2.731  -3.054  11.017
  483    HG1  THR  60           HG1      THR  60  -2.864  -3.988  13.689
  484   1HG2  THR  60          HG21      THR  60  -4.779  -4.758  12.499
  485   2HG2  THR  60          HG22      THR  60  -4.923  -3.005  12.221
  486   3HG2  THR  60          HG23      THR  60  -4.912  -4.111  10.846
  487    H    ALA  61           H        ALA  61  -3.946  -6.974  10.873
  488    HA   ALA  61           HA       ALA  61  -3.402  -7.471   8.123
  489   1HB   ALA  61          HB1       ALA  61  -5.362  -8.922   8.256
  490   2HB   ALA  61          HB2       ALA  61  -4.272  -9.155   9.634
  491   3HB   ALA  61          HB3       ALA  61  -5.778  -8.223   9.843
  492    H    LEU  62           H        LEU  62  -4.476  -6.949   6.248
  493    HA   LEU  62           HA       LEU  62  -5.314  -4.263   6.099
  494   1HB   LEU  62          HB2       LEU  62  -5.437  -6.564   4.119
  495   2HB   LEU  62          HB3       LEU  62  -5.848  -4.911   3.668
  496    HG   LEU  62           HG       LEU  62  -3.153  -5.691   4.881
  497   1HD1  LEU  62          HD11      LEU  62  -2.241  -5.566   2.639
  498   2HD1  LEU  62          HD12      LEU  62  -3.496  -6.810   2.710
  499   3HD1  LEU  62          HD13      LEU  62  -3.858  -5.228   1.969
  500   1HD2  LEU  62          HD21      LEU  62  -3.676  -3.303   5.147
  501   2HD2  LEU  62          HD22      LEU  62  -2.481  -3.487   3.859
  502   3HD2  LEU  62          HD23      LEU  62  -4.167  -3.194   3.442
  503    H    LYS  63           H        LYS  63  -7.436  -7.120   6.197
  504    HA   LYS  63           HA       LYS  63  -9.808  -5.687   5.570
  505   1HB   LYS  63          HB2       LYS  63 -11.035  -7.528   6.128
  506   2HB   LYS  63          HB3       LYS  63  -9.508  -8.175   5.571
  507   1HG   LYS  63          HG2       LYS  63 -10.532  -8.032   8.432
  508   2HG   LYS  63          HG3       LYS  63 -10.304  -9.464   7.427
  509   1HD   LYS  63          HD2       LYS  63  -7.804  -8.868   7.399
  510   2HD   LYS  63          HD3       LYS  63  -8.152  -7.732   8.701
  511   1HE   LYS  63          HE2       LYS  63  -8.700 -10.747   8.712
  512   2HE   LYS  63          HE3       LYS  63  -7.336  -9.949   9.508
  513   1HZ   LYS  63          HZ1       LYS  63  -9.109 -10.380  11.087
  514   2HZ   LYS  63          HZ2       LYS  63  -8.904  -8.761  10.912
  515   3HZ   LYS  63          HZ3       LYS  63 -10.181  -9.496  10.218
  516    H    GLU  64           H        GLU  64  -8.068  -5.485   8.584
  517    HA   GLU  64           HA       GLU  64 -10.308  -4.439  10.151
  518   1HB   GLU  64          HB2       GLU  64  -7.334  -4.605  10.478
  519   2HB   GLU  64          HB3       GLU  64  -8.120  -3.255  11.269
  520   1HG   GLU  64          HG2       GLU  64  -7.944  -5.095  12.810
  521   2HG   GLU  64          HG3       GLU  64  -9.636  -4.737  12.471
  522    H    TYR  65           H        TYR  65  -8.314  -3.129   7.625
  523    HA   TYR  65           HA       TYR  65  -9.198  -0.343   8.185
  524   1HB   TYR  65          HB2       TYR  65  -7.260  -1.499   6.149
  525   2HB   TYR  65          HB3       TYR  65  -7.703   0.198   6.243
  526    HD1  TYR  65           HD1      TYR  65  -7.321   1.483   8.404
  527    HD2  TYR  65           HD2      TYR  65  -5.528  -2.370   7.636
  528    HE1  TYR  65           HE1      TYR  65  -5.736   1.827  10.299
  529    HE2  TYR  65           HE2      TYR  65  -3.952  -2.014   9.482
  530    HH   TYR  65           HH       TYR  65  -3.529  -0.732  11.384
  531    H    LYS  66           H        LYS  66 -10.597  -2.940   6.741
  532    HA   LYS  66           HA       LYS  66 -12.119  -3.335   5.065
  533   1HB   LYS  66          HB2       LYS  66 -13.181  -0.728   6.215
  534   2HB   LYS  66          HB3       LYS  66 -14.117  -1.901   5.278
  535   1HG   LYS  66          HG2       LYS  66 -13.654  -3.645   6.995
  536   2HG   LYS  66          HG3       LYS  66 -12.801  -2.435   7.977
  537   1HD   LYS  66          HD2       LYS  66 -14.870  -1.078   8.113
  538   2HD   LYS  66          HD3       LYS  66 -15.730  -2.291   7.137
  539   1HE   LYS  66          HE2       LYS  66 -15.238  -4.015   8.862
  540   2HE   LYS  66          HE3       LYS  66 -14.396  -2.805   9.835
  541   1HZ   LYS  66          HZ1       LYS  66 -17.280  -2.706   9.116
  542   2HZ   LYS  66          HZ2       LYS  66 -16.687  -3.102  10.583
  543   3HZ   LYS  66          HZ3       LYS  66 -16.501  -1.584  10.015
  544    H    ILE  67           H        ILE  67  -9.930  -2.465   3.834
  545    HA   ILE  67           HA       ILE  67 -10.249  -0.220   2.085
  546    HB   ILE  67           HB       ILE  67  -8.407  -2.603   1.800
  547   1HG1  ILE  67          HG12      ILE  67  -8.093   0.091   3.205
  548   2HG1  ILE  67          HG13      ILE  67  -8.113  -1.507   3.954
  549   1HG2  ILE  67          HG21      ILE  67  -8.572  -1.333  -0.334
  550   2HG2  ILE  67          HG22      ILE  67  -8.291   0.194   0.544
  551   3HG2  ILE  67          HG23      ILE  67  -7.031  -1.045   0.431
  552   1HD1  ILE  67          HD11      ILE  67  -5.864  -0.870   3.939
  553   2HD1  ILE  67          HD12      ILE  67  -6.025  -2.056   2.624
  554   3HD1  ILE  67          HD13      ILE  67  -5.926  -0.311   2.260
  555    H    ASP  68           H        ASP  68 -10.583  -0.213  -0.231
  556    HA   ASP  68           HA       ASP  68 -12.427  -2.334  -1.252
  557   1HB   ASP  68          HB2       ASP  68 -13.649  -0.488  -0.131
  558   2HB   ASP  68          HB3       ASP  68 -12.864   0.670  -1.202
  559    H    GLU  69           H        GLU  69 -12.711  -2.386  -3.538
  560    HA   GLU  69           HA       GLU  69 -10.191  -2.218  -4.934
  561   1HB   GLU  69          HB2       GLU  69 -12.972  -2.883  -5.987
  562   2HB   GLU  69          HB3       GLU  69 -11.437  -3.243  -6.783
  563   1HG   GLU  69          HG2       GLU  69 -10.820  -4.740  -4.885
  564   2HG   GLU  69          HG3       GLU  69 -12.387  -4.425  -4.138
  565    H    LYS  70           H        LYS  70 -12.780   0.011  -4.666
  566    HA   LYS  70           HA       LYS  70 -11.622   1.731  -6.802
  567   1HB   LYS  70          HB2       LYS  70 -13.893   2.399  -7.570
  568   2HB   LYS  70          HB3       LYS  70 -13.379   0.776  -7.971
  569   1HG   LYS  70          HG2       LYS  70 -15.700   0.730  -7.407
  570   2HG   LYS  70          HG3       LYS  70 -14.787  -0.172  -6.201
  571   1HD   LYS  70          HD2       LYS  70 -14.930   1.835  -4.674
  572   2HD   LYS  70          HD3       LYS  70 -15.854   2.677  -5.911
  573   1HE   LYS  70          HE2       LYS  70 -17.295   1.754  -4.150
  574   2HE   LYS  70          HE3       LYS  70 -17.680   1.057  -5.731
  575   1HZ   LYS  70          HZ1       LYS  70 -16.569  -0.951  -5.096
  576   2HZ   LYS  70          HZ2       LYS  70 -15.919  -0.285  -3.755
  577   3HZ   LYS  70          HZ3       LYS  70 -17.533  -0.569  -3.832
  578    H    ASN  71           H        ASN  71 -11.663   1.568  -3.811
  579    HA   ASN  71           HA       ASN  71 -11.616   4.563  -3.567
  580   1HB   ASN  71          HB2       ASN  71 -11.374   2.429  -1.392
  581   2HB   ASN  71          HB3       ASN  71 -11.122   4.151  -1.147
  582   1HD2  ASN  71          HD21      ASN  71 -12.879   2.861   0.438
  583   2HD2  ASN  71          HD22      ASN  71 -14.514   3.397   0.042
  584    H    PHE  72           H        PHE  72  -9.398   5.139  -2.357
  585    HA   PHE  72           HA       PHE  72  -7.237   3.333  -3.275
  586   1HB   PHE  72          HB2       PHE  72  -6.010   5.154  -4.348
  587   2HB   PHE  72          HB3       PHE  72  -7.524   4.780  -5.136
  588    HD1  PHE  72           HD1      PHE  72  -8.955   6.502  -5.764
  589    HD2  PHE  72           HD2      PHE  72  -6.035   7.219  -2.664
  590    HE1  PHE  72           HE1      PHE  72  -9.504   8.914  -5.800
  591    HE2  PHE  72           HE2      PHE  72  -6.630   9.623  -2.667
  592    HZ   PHE  72           HZ       PHE  72  -8.374  10.482  -4.224
  593    H    VAL  73           H        VAL  73  -5.196   3.829  -2.661
  594    HA   VAL  73           HA       VAL  73  -4.850   4.756   0.158
  595    HB   VAL  73           HB       VAL  73  -3.836   2.371  -1.423
  596   1HG1  VAL  73          HG11      VAL  73  -1.841   3.193  -0.252
  597   2HG1  VAL  73          HG12      VAL  73  -2.742   3.202   1.285
  598   3HG1  VAL  73          HG13      VAL  73  -2.430   1.682   0.436
  599   1HG2  VAL  73          HG21      VAL  73  -5.982   2.077  -0.246
  600   2HG2  VAL  73          HG22      VAL  73  -4.717   1.068   0.463
  601   3HG2  VAL  73          HG23      VAL  73  -5.204   2.562   1.280
  602    H    VAL  74           H        VAL  74  -2.803   5.793   0.548
  603    HA   VAL  74           HA       VAL  74  -1.349   6.776  -1.899
  604    HB   VAL  74           HB       VAL  74  -1.808   8.346   0.663
  605   1HG1  VAL  74          HG11      VAL  74  -0.988  10.243  -0.706
  606   2HG1  VAL  74          HG12      VAL  74   0.237   8.982  -0.571
  607   3HG1  VAL  74          HG13      VAL  74  -0.705   9.143  -2.072
  608   1HG2  VAL  74          HG21      VAL  74  -3.235   8.622  -2.016
  609   2HG2  VAL  74          HG22      VAL  74  -3.972   8.144  -0.471
  610   3HG2  VAL  74          HG23      VAL  74  -3.331   9.776  -0.670
  611    H    VAL  75           H        VAL  75   0.735   6.265  -1.956
  612    HA   VAL  75           HA       VAL  75   2.072   5.230   0.501
  613    HB   VAL  75           HB       VAL  75   3.077   5.068  -2.340
  614   1HG1  VAL  75          HG11      VAL  75   4.785   4.651  -0.622
  615   2HG1  VAL  75          HG12      VAL  75   3.745   3.425   0.129
  616   3HG1  VAL  75          HG13      VAL  75   4.402   3.172  -1.498
  617   1HG2  VAL  75          HG21      VAL  75   2.250   2.714  -2.383
  618   2HG2  VAL  75          HG22      VAL  75   1.362   3.024  -0.876
  619   3HG2  VAL  75          HG23      VAL  75   0.941   3.894  -2.367
  620    H    MET  76           H        MET  76   3.883   6.152   1.299
  621    HA   MET  76           HA       MET  76   5.023   8.632   0.093
  622   1HB   MET  76          HB2       MET  76   4.239   8.263   3.010
  623   2HB   MET  76          HB3       MET  76   5.002   9.692   2.299
  624   1HG   MET  76          HG2       MET  76   2.974   9.974   0.837
  625   2HG   MET  76          HG3       MET  76   2.202   8.650   1.709
  626   1HE   MET  76          HE1       MET  76   1.677  10.103   5.297
  627   2HE   MET  76          HE2       MET  76   1.646   8.665   4.249
  628   3HE   MET  76          HE3       MET  76   3.196   9.311   4.835
  629    H    VAL  77           H        VAL  77   7.213   9.151   1.070
  630    HA   VAL  77           HA       VAL  77   8.570   6.775   2.216
  631    HB   VAL  77           HB       VAL  77   8.574   6.622  -0.282
  632   1HG1  VAL  77          HG11      VAL  77   8.894   9.018  -0.835
  633   2HG1  VAL  77          HG12      VAL  77  10.549   8.935  -0.185
  634   3HG1  VAL  77          HG13      VAL  77  10.091   7.962  -1.598
  635   1HG2  VAL  77          HG21      VAL  77  11.325   6.787   0.986
  636   2HG2  VAL  77          HG22      VAL  77  10.182   5.418   1.098
  637   3HG2  VAL  77          HG23      VAL  77  10.849   5.906  -0.470
  638    H    THR  78           H        THR  78  10.525   7.083   3.224
  639    HA   THR  78           HA       THR  78  11.669   9.803   3.383
  640    HB   THR  78           HB       THR  78  10.166   9.668   5.308
  641    HG1  THR  78           HG1      THR  78  11.721  10.283   6.777
  642   1HG2  THR  78          HG21      THR  78  10.197   7.252   5.814
  643   2HG2  THR  78          HG22      THR  78  11.908   7.359   6.281
  644   3HG2  THR  78          HG23      THR  78  10.669   8.212   7.222
  645    H    LYS  79           H        LYS  79  13.828   9.866   4.015
  646    HA   LYS  79           HA       LYS  79  15.403   7.340   3.839
  647   1HB   LYS  79          HB2       LYS  79  15.106   8.283   1.562
  648   2HB   LYS  79          HB3       LYS  79  15.818   9.800   2.092
  649   1HG   LYS  79          HG2       LYS  79  17.443   8.536   0.864
  650   2HG   LYS  79          HG3       LYS  79  17.978   8.621   2.539
  651   1HD   LYS  79          HD2       LYS  79  17.187   6.315   2.940
  652   2HD   LYS  79          HD3       LYS  79  16.549   6.216   1.297
  653   1HE   LYS  79          HE2       LYS  79  19.487   6.660   2.016
  654   2HE   LYS  79          HE3       LYS  79  18.773   5.082   1.677
  655   1HZ   LYS  79          HZ1       LYS  79  18.907   7.329  -0.263
  656   2HZ   LYS  79          HZ2       LYS  79  19.816   5.977  -0.302
  657   3HZ   LYS  79          HZ3       LYS  79  18.209   5.879  -0.559
  658    HA   PRO  80           HA       PRO  80  16.313  10.250   7.272
  659   1HB   PRO  80          HB2       PRO  80  17.133   8.424   9.201
  660   2HB   PRO  80          HB3       PRO  80  15.442   8.882   8.843
  661   1HG   PRO  80          HG2       PRO  80  16.992   6.499   7.801
  662   2HG   PRO  80          HG3       PRO  80  15.331   6.535   8.477
  663   1HD   PRO  80          HD2       PRO  80  15.748   6.518   5.814
  664   2HD   PRO  80          HD3       PRO  80  14.461   7.547   6.513
  665    H    LYS  81           H        LYS  81  18.554   8.087   5.782
  666    HA   LYS  81           HA       LYS  81  21.039   9.005   6.856
  667   1HB   LYS  81          HB2       LYS  81  20.696   7.028   5.355
  668   2HB   LYS  81          HB3       LYS  81  20.313   8.126   4.027
  669   1HG   LYS  81          HG2       LYS  81  22.575   7.277   3.815
  670   2HG   LYS  81          HG3       LYS  81  22.614   9.020   4.068
  671   1HD   LYS  81          HD2       LYS  81  23.239   8.682   6.440
  672   2HD   LYS  81          HD3       LYS  81  23.099   6.921   6.236
  673   1HE   LYS  81          HE2       LYS  81  24.894   6.993   4.515
  674   2HE   LYS  81          HE3       LYS  81  25.025   8.744   4.722
  675   1HZ   LYS  81          HZ1       LYS  81  26.704   7.572   6.026
  676   2HZ   LYS  81          HZ2       LYS  81  25.692   8.355   7.036
  677   3HZ   LYS  81          HZ3       LYS  81  25.570   6.736   6.845
  678    H    ALA  82           H        ALA  82  18.913  10.421   4.395
  679    HA   ALA  82           HA       ALA  82  20.326  13.004   4.631
  680   1HB   ALA  82          HB1       ALA  82  21.402  11.951   2.699
  681   2HB   ALA  82          HB2       ALA  82  19.820  11.629   1.959
  682   3HB   ALA  82          HB3       ALA  82  20.378  13.302   2.180
  683    H    VAL  83           H        VAL  83  18.504  13.467   5.904
  684    HA   VAL  83           HA       VAL  83  15.984  14.057   4.389
  685    HB   VAL  83           HB       VAL  83  15.950  12.063   5.902
  686   1HG1  VAL  83          HG11      VAL  83  17.280  12.941   7.788
  687   2HG1  VAL  83          HG12      VAL  83  15.989  14.105   8.157
  688   3HG1  VAL  83          HG13      VAL  83  15.690  12.366   8.307
  689   1HG2  VAL  83          HG21      VAL  83  13.751  12.400   6.741
  690   2HG2  VAL  83          HG22      VAL  83  13.911  14.162   6.675
  691   3HG2  VAL  83          HG23      VAL  83  13.886  13.208   5.172
  692    H    SER  84           H        SER  84  18.483  15.578   5.973
  693    HA   SER  84           HA       SER  84  16.843  18.013   6.552
  694   1HB   SER  84          HB2       SER  84  19.152  16.943   8.220
  695   2HB   SER  84          HB3       SER  84  18.337  18.501   8.452
  696    HG   SER  84           HG       SER  84  17.509  16.871   9.843
  697    H    THR  85           H        THR  85  17.839  19.984   6.191
  698    HA   THR  85           HA       THR  85  20.470  20.125   4.817
  699    HB   THR  85           HB       THR  85  19.440  21.628   3.093
  700    HG1  THR  85           HG1      THR  85  17.220  21.427   2.754
  701   1HG2  THR  85          HG21      THR  85  18.373  18.774   3.006
  702   2HG2  THR  85          HG22      THR  85  18.673  19.857   1.631
  703   3HG2  THR  85          HG23      THR  85  20.034  19.257   2.592