*HEADER   ELECTRON TRANSPORT                      19-APR-96   1CUR    
*TITLE    REDUCED RUSTICYANIN, NMR                                    
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CU(I) RUSTICYANIN;                               
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: REDUCED RUSTICYANIN;                              
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: THIOBACILLUS FERROOXIDANS, ESCHERICHIA
*SOURCE  3 COLI;                                                      
*SOURCE  4 STRAIN: BL21 (DE3);                                        
*SOURCE  5 OTHER_DETAILS: PART OF NMR DATA ACQUIRED WITH LABELED      
*SOURCE  6 NATIVE MATERIAL FROM THIOBACILLUS FERROOXIDANS, AND PART   
*SOURCE  7 WITH RECOMBINANT MATERIAL FROM ESCHERICHIA COLI            
*KEYWDS   RUSTICYANIN, TYPE 1 COPPER PROTEIN, SOLUTION STRUCTURE,     
*KEYWDS  2 ELECTRON TRANSPORT                                         
*EXPDTA   NMR, 15 STRUCTURES                                          
*AUTHOR   M.V.BOTUYAN,H.J.DYSON                                       
*REVDAT  1   08-NOV-96 1CUR    0                                      

F
#  torsion angle constraints:
#
# 2353 atoms read from pdb file names.pdb.
# 12 LEU PHI:  (11 THR C)-(12 LEU N)-(12 LEU CA)-(12 LEU C) -90.0 -40.0
 &rst     iat =   166,   168,   170,   185,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,
	  rk2 =  64.0, rk3 =  64.0,				&end

# 15 VAL PHI:  (14 GLN C)-(15 VAL N)-(15 VAL CA)-(15 VAL C) -90.0 -40.0
 &rst     iat =   216,   218,   220,   232,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 17 ALA PHI:  (16 LYS C)-(17 ALA N)-(17 ALA CA)-(17 ALA C) -90.0 -40.0
 &rst     iat =   254,   256,   258,   264,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 18 MET PHI:  (17 ALA C)-(18 MET N)-(18 MET CA)-(18 MET C) -90.0 -40.0
 &rst     iat =   264,   266,   268,   283,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 19 LEU PHI:  (18 MET C)-(19 LEU N)-(19 LEU CA)-(19 LEU C) -90.0 -40.0
 &rst     iat =   283,   285,   287,   302,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 53 SER PHI:  (52 PRO C)-(53 SER N)-(53 SER CA)-(53 SER C) -90.0 -40.0
 &rst     iat =   782,   784,   786,   793,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 68 ALA PHI:  (67 PRO C)-(68 ALA N)-(68 ALA CA)-(68 ALA C) -90.0 -40.0
 &rst     iat =  1030,  1032,  1034,  1040,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 70 ALA PHI:  (69 GLY C)-(70 ALA N)-(70 ALA CA)-(70 ALA C) -90.0 -40.0
 &rst     iat =  1047,  1049,  1051,  1057,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 98 VAL PHI:  (97 ALA C)-(98 VAL N)-(98 VAL CA)-(98 VAL C) -90.0 -40.0
 &rst     iat =  1472,  1474,  1476,  1488,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 103 ASH PHI:  (102 ILE C)-(103 ASH N)-(103 ASH CA)-(103 ASH C) -90.0 -40.0
 &rst     iat =  1556,  1558,  1560,  1569,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 107 ALA PHI:  (106 VAL C)-(107 ALA N)-(107 ALA CA)-(107 ALA C) -90.0 -40.0
 &rst     iat =  1618,  1620,  1622,  1628,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 112 SER PHI:  (111 PHE C)-(112 SER N)-(112 SER CA)-(112 SER C) -90.0 -40.0
 &rst     iat =  1676,  1678,  1680,  1687,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 131 ALA PHI:  (130 THR C)-(131 ALA N)-(131 ALA CA)-(131 ALA C) -90.0 -40.0
 &rst     iat =  1974,  1976,  1978,  1984,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 140 ILE PHI:  (139 GLN C)-(140 ILE N)-(140 ILE CA)-(140 ILE C) -90.0 -40.0
 &rst     iat =  2113,  2115,  2117,  2132,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 143 HIS PHI:  (142 GLY C)-(143 HIS N)-(143 HIS CA)-(143 HIS C) -90.0 -40.0
 &rst     iat =  2153,  2155,  2157,  2170,
	  r1 = -100.0, r2 = -90.0, r3 = -40.0, r4 =  50.0,	&end

# 6 THR PHI:  (5 THR C)-(6 THR N)-(6 THR CA)-(6 THR C) -160.0 -80.0
 &rst     iat =    66,    68,    70,    80,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 7 TRP PHI:  (6 THR C)-(7 TRP N)-(7 TRP CA)-(7 TRP C) -160.0 -80.0
 &rst     iat =    80,    82,    84,   104,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 8 LYS PHI:  (7 TRP C)-(8 LYS N)-(8 LYS CA)-(8 LYS C) -160.0 -80.0
 &rst     iat =   104,   106,   108,   126,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 9 GLH PHI:  (8 LYS C)-(9 GLH N)-(9 GLH CA)-(9 GLH C) -160.0 -80.0
 &rst     iat =   126,   128,   130,   142,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 10 ALA PHI:  (9 GLH C)-(10 ALA N)-(10 ALA CA)-(10 ALA C) -160.0 -80.0
 &rst     iat =   142,   144,   146,   152,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

## 21 LYS PHI:  (20 GLH C)-(21 LYS N)-(21 LYS CA)-(21 LYS C) -160.0 -80.0
##&rst     iat =   318,   320,   322,   340,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 25 LYS PHI:  (24 GLY C)-(25 LYS N)-(25 LYS CA)-(25 LYS C) -160.0 -80.0
 &rst     iat =   374,   376,   378,   396,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 29 ASH PHI:  (28 GLY C)-(29 ASH N)-(29 ASH CA)-(29 ASH C) -160.0 -80.0
 &rst     iat =   430,   432,   434,   443,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 30 THR PHI:  (29 ASH C)-(30 THR N)-(30 THR CA)-(30 THR C) -160.0 -80.0
 &rst     iat =   443,   445,   447,   457,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 31 VAL PHI:  (30 THR C)-(31 VAL N)-(31 VAL CA)-(31 VAL C) -160.0 -80.0
 &rst     iat =   457,   459,   461,   473,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 32 THR PHI:  (31 VAL C)-(32 THR N)-(32 THR CA)-(32 THR C) -160.0 -80.0
 &rst     iat =   473,   475,   477,   487,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 33 TYR PHI:  (32 THR C)-(33 TYR N)-(33 TYR CA)-(33 TYR C) -160.0 -80.0
 &rst     iat =   487,   489,   491,   508,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 37 THR PHI:  (36 LYS C)-(37 THR N)-(37 THR CA)-(37 THR C) -160.0 -80.0
 &rst     iat =   548,   550,   552,   562,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 38 VAL PHI:  (37 THR C)-(38 VAL N)-(38 VAL CA)-(38 VAL C) -160.0 -80.0
 &rst     iat =   562,   564,   566,   578,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 39 HIS PHI:  (38 VAL C)-(39 HIS N)-(39 HIS CA)-(39 HIS C) -160.0 -80.0
 &rst     iat =   578,   580,   582,   596,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 40 VAL PHI:  (39 HIS C)-(40 VAL N)-(40 VAL CA)-(40 VAL C) -160.0 -80.0
 &rst     iat =   596,   598,   600,   612,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 41 VAL PHI:  (40 VAL C)-(41 VAL N)-(41 VAL CA)-(41 VAL C) -160.0 -80.0
 &rst     iat =   612,   614,   616,   628,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 42 ALA PHI:  (41 VAL C)-(42 ALA N)-(42 ALA CA)-(42 ALA C) -160.0 -80.0
 &rst     iat =   628,   630,   632,   638,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 43 ALA PHI:  (42 ALA C)-(43 ALA N)-(43 ALA CA)-(43 ALA C) -160.0 -80.0
 &rst     iat =   638,   640,   642,   648,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 46 LEU PHI:  (45 VAL C)-(46 LEU N)-(46 LEU CA)-(46 LEU C) -160.0 -80.0
 &rst     iat =   674,   676,   678,   693,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 54 PHE PHI:  (53 SER C)-(54 PHE N)-(54 PHE CA)-(54 PHE C) -160.0 -80.0
 &rst     iat =   793,   795,   797,   813,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

## 55 GLH PHI:  (54 PHE C)-(55 GLH N)-(55 GLH CA)-(55 GLH C) -160.0 -80.0
##&rst     iat =   813,   815,   817,   829,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end 1/17/96.

# 59 LYS PHI:  (58 ASH C)-(59 LYS N)-(59 LYS CA)-(59 LYS C) -160.0 -80.0
 &rst     iat =   876,   878,   880,   898,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 64 LEU PHI:  (63 THR C)-(64 LEU N)-(64 LEU CA)-(64 LEU C) -160.0 -80.0
 &rst     iat =   962,   964,   966,   981,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 65 GLH PHI:  (64 LEU C)-(65 GLH N)-(65 GLH CA)-(65 GLH C) -160.0 -80.0
 &rst     iat =   981,   983,   985,   997,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 71 THR PHI:  (70 ALA C)-(71 THR N)-(71 THR CA)-(71 THR C) -160.0 -80.0
 &rst     iat =  1057,  1059,  1061,  1071,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 72 VAL PHI:  (71 THR C)-(72 VAL N)-(72 VAL CA)-(72 VAL C) -160.0 -80.0
 &rst     iat =  1071,  1073,  1075,  1087,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 73 ASH PHI:  (72 VAL C)-(73 ASH N)-(73 ASH CA)-(73 ASH C) -160.0 -80.0
 &rst     iat =  1087,  1089,  1091,  1100,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 74 VAL PHI:  (73 ASH C)-(74 VAL N)-(74 VAL CA)-(74 VAL C) -160.0 -80.0
 &rst     iat =  1100,  1102,  1104,  1116,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 75 THR PHI:  (74 VAL C)-(75 THR N)-(75 THR CA)-(75 THR C) -160.0 -80.0
 &rst     iat =  1116,  1118,  1120,  1130,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 76 PHE PHI:  (75 THR C)-(76 PHE N)-(76 PHE CA)-(76 PHE C) -160.0 -80.0
 &rst     iat =  1130,  1132,  1134,  1150,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 79 THR PHI:  (78 ASN C)-(79 THR N)-(79 THR CA)-(79 THR C) -160.0 -80.0
 &rst     iat =  1183,  1185,  1187,  1197,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 83 PHE PHI:  (82 GLY C)-(83 PHE N)-(83 PHE CA)-(83 PHE C) -160.0 -80.0
 &rst     iat =  1240,  1242,  1244,  1260,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 87 PHE PHI:  (86 SER C)-(87 PHE N)-(87 PHE CA)-(87 PHE C) -160.0 -80.0
 &rst     iat =  1296,  1298,  1300,  1316,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 90 THR PHI:  (89 ILE C)-(90 THR N)-(90 THR CA)-(90 THR C) -160.0 -80.0
 &rst     iat =  1348,  1350,  1352,  1362,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 91 LYS PHI:  (90 THR C)-(91 LYS N)-(91 LYS CA)-(91 LYS C) -160.0 -80.0
 &rst     iat =  1362,  1364,  1366,  1384,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 96 TYR PHI:  (95 PRO C)-(96 TYR N)-(96 TYR CA)-(96 TYR C) -160.0 -80.0
 &rst     iat =  1441,  1443,  1445,  1462,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 99 MET PHI:  (98 VAL C)-(99 MET N)-(99 MET CA)-(99 MET C) -160.0 -80.0
 &rst     iat =  1488,  1490,  1492,  1507,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 101 VAL PHI:  (100 PRO C)-(101 VAL N)-(101 VAL CA)-(101 VAL C) -160.0 -80.0
 &rst     iat =  1521,  1523,  1525,  1537,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 102 ILE PHI:  (101 VAL C)-(102 ILE N)-(102 ILE CA)-(102 ILE C) -160.0 -80.0
 &rst     iat =  1537,  1539,  1541,  1556,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 105 ILE PHI:  (104 PRO C)-(105 ILE N)-(105 ILE CA)-(105 ILE C) -160.0 -80.0
 &rst     iat =  1583,  1585,  1587,  1602,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 119 LYS PHI:  (118 GLY C)-(119 LYS N)-(119 LYS CA)-(119 LYS C) -160.0 -80.0
 &rst     iat =  1773,  1775,  1777,  1795,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 120 PHE PHI:  (119 LYS C)-(120 PHE N)-(120 PHE CA)-(120 PHE C) -160.0 -80.0
 &rst     iat =  1795,  1797,  1799,  1815,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 120 PHE PHI:  (119 LYS C)-(120 PHE N)-(120 PHE CA)-(120 PHE C) -160.0 -80.0
 &rst     iat =  1795,  1797,  1799,  1815,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 124 ASH PHI:  (123 THR C)-(124 ASH N)-(124 ASH CA)-(124 ASH C) -160.0 -80.0
 &rst     iat =  1857,  1859,  1861,  1870,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 126 THR PHI:  (125 PHE C)-(126 THR N)-(126 THR CA)-(126 THR C) -160.0 -80.0
 &rst     iat =  1890,  1892,  1894,  1904,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 127 TRP PHI:  (126 THR C)-(127 TRP N)-(127 TRP CA)-(127 TRP C) -160.0 -80.0
 &rst     iat =  1904,  1906,  1908,  1928,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 128 HIS PHI:  (127 TRP C)-(128 HIS N)-(128 HIS CA)-(128 HIS C) -160.0 -80.0
 &rst     iat =  1928,  1930,  1932,  1946,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 130 THR PHI:  (129 PRO C)-(130 THR N)-(130 THR CA)-(130 THR C) -160.0 -80.0
 &rst     iat =  1960,  1962,  1964,  1974,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 133 THR PHI:  (132 GLY C)-(133 THR N)-(133 THR CA)-(133 THR C) -160.0 -80.0
 &rst     iat =  1991,  1993,  1995,  2005,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 134 TYR PHI:  (133 THR C)-(134 TYR N)-(134 TYR CA)-(134 TYR C) -160.0 -80.0
 &rst     iat =  2005,  2007,  2009,  2026,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 135 TYR PHI:  (134 TYR C)-(135 TYR N)-(135 TYR CA)-(135 TYR C) -160.0 -80.0
 &rst     iat =  2026,  2028,  2030,  2047,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 136 TYR PHI:  (135 TYR C)-(136 TYR N)-(136 TYR CA)-(136 TYR C) -160.0 -80.0
 &rst     iat =  2047,  2049,  2051,  2068,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 137 VAL PHI:  (136 TYR C)-(137 VAL N)-(137 VAL CA)-(137 VAL C) -160.0 -80.0
 &rst     iat =  2068,  2070,  2072,  2084,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 138 CYS PHI:  (137 VAL C)-(138 CYS N)-(138 CYS CA)-(138 CYS C) -160.0 -80.0
 &rst     iat =  2084,  2086,  2088,  2096,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 146 THR PHI:  (145 ALA C)-(146 THR N)-(146 THR CA)-(146 THR C) -160.0 -80.0
 &rst     iat =  2190,  2192,  2194,  2204,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 148 MEM PHI:  (147 GLY C)-(148 MEM N)-(148 MEM CA)-(148 MEM C) -160.0 -80.0
 &rst     iat =  2211,  2213,  2215,  2230,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 152 ILE PHI:  (151 LYS C)-(152 ILE N)-(152 ILE CA)-(152 ILE C) -160.0 -80.0
 &rst     iat =  2279,  2281,  2283,  2298,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 153 VAL PHI:  (152 ILE C)-(153 VAL N)-(153 VAL CA)-(153 VAL C) -160.0 -80.0
 &rst     iat =  2298,  2300,  2302,  2314,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 154 VAL PHI:  (153 VAL C)-(154 VAL N)-(154 VAL CA)-(154 VAL C) -160.0 -80.0
 &rst     iat =  2314,  2316,  2318,  2330,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 155 LYS PHI:  (154 VAL C)-(155 LYS N)-(155 LYS CA)-(155 LYS C) -160.0 -80.0
 &rst     iat =  2330,  2332,  2334,  2352,
	  r1 = -170.0, r2 = -160.0, r3 = -80.0, r4 = -70.0,	&end

# 15 VAL CHI1:  (15 VAL N)-(15 VAL CA)-(15 VAL CB)-(15 VAL CG1) 150.0  -150.0
 &rst     iat =   218,   220,   222,   224,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 26 VAL CHI1:  (26 VAL N)-(26 VAL CA)-(26 VAL CB)-(26 VAL CG1) 150.0  -150.0
 &rst     iat =   398,   400,   402,   404,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 31 VAL CHI1:  (31 VAL N)-(31 VAL CA)-(31 VAL CB)-(31 VAL CG1) 150.0  -150.0
 &rst     iat =   459,   461,   463,   465,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 38 VAL CHI1:  (38 VAL N)-(38 VAL CA)-(38 VAL CB)-(38 VAL CG1) 150.0  -150.0
 &rst     iat =   564,   566,   568,   570,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 40 VAL CHI1:  (40 VAL N)-(40 VAL CA)-(40 VAL CB)-(40 VAL CG1) 150.0  -150.0
 &rst     iat =   598,   600,   602,   604,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 41 VAL CHI1:  (41 VAL N)-(41 VAL CA)-(41 VAL CB)-(41 VAL CG1) 150.0  -150.0
 &rst     iat =   614,   616,   618,   620,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 45 VAL CHI1:  (45 VAL N)-(45 VAL CA)-(45 VAL CB)-(45 VAL CG1) 150.0  -150.0
 &rst     iat =   660,   662,   664,   666,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 56 VAL CHI1:  (56 VAL N)-(56 VAL CA)-(56 VAL CB)-(56 VAL CG1) 150.0  -150.0
 &rst     iat =   831,   833,   835,   837,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 72 VAL CHI1:  (72 VAL N)-(72 VAL CA)-(72 VAL CB)-(72 VAL CG1) 150.0  -150.0
 &rst     iat =  1073,  1075,  1077,  1079,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 74 VAL CHI1:  (74 VAL N)-(74 VAL CA)-(74 VAL CB)-(74 VAL CG1) 150.0  -150.0
 &rst     iat =  1102,  1104,  1106,  1108,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

## 98 VAL CHI1:  (98 VAL N)-(98 VAL CA)-(98 VAL CB)-(98 VAL CG1) 150.0  -150.0
##rst     iat =  1474,  1476,  1478,  1480,
#	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 101 VAL CHI1:  (101 VAL N)-(101 VAL CA)-(101 VAL CB)-(101 VAL CG1) 150.0  -150.0
 &rst     iat =  1523,  1525,  1527,  1529,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 106 VAL CHI1:  (106 VAL N)-(106 VAL CA)-(106 VAL CB)-(106 VAL CG1) 150.0  -150.0
 &rst     iat =  1604,  1606,  1608,  1610,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 137 VAL CHI1:  (137 VAL N)-(137 VAL CA)-(137 VAL CB)-(137 VAL CG1) -90    -30.0
 &rst     iat =  2070,  2072,  2074,  2076,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 153 VAL CHI1:  (153 VAL N)-(153 VAL CA)-(153 VAL CB)-(153 VAL CG1) 150.0  -150.0
 &rst     iat =  2300,  2302,  2304,  2306,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 154 VAL CHI1:  (154 VAL N)-(154 VAL CA)-(154 VAL CB)-(154 VAL CG1) 150.0  -150.0
 &rst     iat =  2316,  2318,  2320,  2322,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 66 ILE CHI1:  (66 ILE N)-(66 ILE CA)-(66 ILE CB)-(66 ILE CG1) -90    -30.0
 &rst     iat =   999,  1001,  1003,  1009,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 77 ILE CHI1:  (77 ILE N)-(77 ILE CA)-(77 ILE CB)-(77 ILE CG1) -90    -30.0
 &rst     iat =  1152,  1154,  1156,  1162,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 89 ILE CHI1:  (89 ILE N)-(89 ILE CA)-(89 ILE CB)-(89 ILE CG1) -90    -30.0
 &rst     iat =  1331,  1333,  1335,  1341,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 102 ILE CHI1:  (102 ILE N)-(102 ILE CA)-(102 ILE CB)-(102 ILE CG1)   30.0 90.0
 &rst     iat =  1539,  1541,  1543,  1549,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 105 ILE CHI1:  (105 ILE N)-(105 ILE CA)-(105 ILE CB)-(105 ILE CG1) -90    -30.0
 &rst     iat =  1585,  1587,  1589,  1595,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 140 ILE CHI1:  (140 ILE N)-(140 ILE CA)-(140 ILE CB)-(140 ILE CG1) -90    -30.0
 &rst     iat =  2115,  2117,  2119,  2125,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 152 ILE CHI1:  (152 ILE N)-(152 ILE CA)-(152 ILE CB)-(152 ILE CG1) -90    -30.0
 &rst     iat =  2281,  2283,  2285,  2291,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 2 THR CHI1:  (2 THR N)-(2 THR CA)-(2 THR CB)-(2 THR OG1)   30.0 90.0
 &rst     iat =     8,    10,    12,    18,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 5 THR CHI1:  (5 THR N)-(5 THR CA)-(5 THR CB)-(5 THR OG1)   30.0 90.0
 &rst     iat =    54,    56,    58,    64,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 6 THR CHI1:  (6 THR N)-(6 THR CA)-(6 THR CB)-(6 THR OG1) -90    -30.0
 &rst     iat =    68,    70,    72,    78,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 11 THR CHI1:  (11 THR N)-(11 THR CA)-(11 THR CB)-(11 THR OG1)   30.0 90.0
 &rst     iat =   154,   156,   158,   164,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 23 THR CHI1:  (23 THR N)-(23 THR CA)-(23 THR CB)-(23 THR OG1)   30.0 90.0
 &rst     iat =   355,   357,   359,   365,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 30 THR CHI1:  (30 THR N)-(30 THR CA)-(30 THR CB)-(30 THR OG1) -90    -30.0
 &rst     iat =   445,   447,   449,   455,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 32 THR CHI1:  (32 THR N)-(32 THR CA)-(32 THR CB)-(32 THR OG1) -90    -30.0
 &rst     iat =   475,   477,   479,   485,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 63 THR CHI1:  (63 THR N)-(63 THR CA)-(63 THR CB)-(63 THR OG1) -90    -30.0
 &rst     iat =   950,   952,   954,   960,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 71 THR CHI1:  (71 THR N)-(71 THR CA)-(71 THR CB)-(71 THR OG1) -90    -30.0
 &rst     iat =  1059,  1061,  1063,  1069,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 75 THR CHI1:  (75 THR N)-(75 THR CA)-(75 THR CB)-(75 THR OG1) -90    -30.0
 &rst     iat =  1118,  1120,  1122,  1128,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 90 THR CHI1:  (90 THR N)-(90 THR CA)-(90 THR CB)-(90 THR OG1) 150.0  -150.0
 &rst     iat =  1350,  1352,  1354,  1360,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 123 THR CHI1:  (123 THR N)-(123 THR CA)-(123 THR CB)-(123 THR OG1) -90    -30.0
 &rst     iat =  1845,  1847,  1849,  1855,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 126 THR CHI1:  (126 THR N)-(126 THR CA)-(126 THR CB)-(126 THR OG1) -90    -30.0
 &rst     iat =  1892,  1894,  1896,  1902,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 130 THR CHI1:  (130 THR N)-(130 THR CA)-(130 THR CB)-(130 THR OG1)   30.0 90.0
 &rst     iat =  1962,  1964,  1966,  1972,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 133 THR CHI1:  (133 THR N)-(133 THR CA)-(133 THR CB)-(133 THR OG1) -90    -30.0
 &rst     iat =  1993,  1995,  1997,  2003,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 146 THR CHI1:  (146 THR N)-(146 THR CA)-(146 THR CB)-(146 THR OG1)   30.0 90.0
 &rst     iat =  2192,  2194,  2196,  2202,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 3 LEU CHI1:  (3 LEU N)-(3 LEU CA)-(3 LEU CB)-(3 LEU CG) -90    -30.0
 &rst     iat =    22,    24,    26,    29,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 8 LYS CHI1:  (8 LYS N)-(8 LYS CA)-(8 LYS CB)-(8 LYS CG) -90    -30.0
 &rst     iat =   106,   108,   110,   113,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 9 GLH CHI1:  (9 GLH N)-(9 GLH CA)-(9 GLH CB)-(9 GLH CG) -90    -30.0
 &rst     iat =   128,   130,   132,   135,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 12 LEU CHI1:  (12 LEU N)-(12 LEU CA)-(12 LEU CB)-(12 LEU CG) 150.0  -150.0
 &rst     iat =   168,   170,   172,   175,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 14 GLN CHI1:  (14 GLN N)-(14 GLN CA)-(14 GLN CB)-(14 GLN CG) -90    -30.0
 &rst     iat =   201,   203,   205,   208,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 16 LYS CHI1:  (16 LYS N)-(16 LYS CA)-(16 LYS CB)-(16 LYS CG) -90    -30.0
 &rst     iat =   234,   236,   238,   241,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 18 MET CHI1:  (18 MET N)-(18 MET CA)-(18 MET CB)-(18 MET CG) -90    -30.0
 &rst     iat =   266,   268,   270,   273,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 19 LEU CHI1:  (19 LEU N)-(19 LEU CA)-(19 LEU CB)-(19 LEU CG) -90    -30.0
 &rst     iat =   285,   287,   289,   292,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 20 GLH CHI1:  (20 GLH N)-(20 GLH CA)-(20 GLH CB)-(20 GLH CG) -90    -30.0
 &rst     iat =   304,   306,   308,   311,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 21 LYS CHI1:  (21 LYS N)-(21 LYS CA)-(21 LYS CB)-(21 LYS CG) -90    -30.0
 &rst     iat =   320,   322,   324,   327,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 25 LYS CHI1:  (25 LYS N)-(25 LYS CA)-(25 LYS CB)-(25 LYS CG) -90    -30.0
 &rst     iat =   376,   378,   380,   383,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 36 LYS CHI1:  (36 LYS N)-(36 LYS CA)-(36 LYS CB)-(36 LYS CG) -90    -30.0
 &rst     iat =   528,   530,   532,   535,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 46 LEU CHI1:  (46 LEU N)-(46 LEU CA)-(46 LEU CB)-(46 LEU CG) -90    -30.0
 &rst     iat =   676,   678,   680,   683,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 55 GLH CHI1:  (55 GLH N)-(55 GLH CA)-(55 GLH CB)-(55 GLH CG) -90    -30.0
 &rst     iat =   815,   817,   819,   822,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 59 LYS CHI1:  (59 LYS N)-(59 LYS CA)-(59 LYS CB)-(59 LYS CG) -90    -30.0
 &rst     iat =   878,   880,   882,   885,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 60 LYS CHI1:  (60 LYS N)-(60 LYS CA)-(60 LYS CB)-(60 LYS CG) -90    -30.0
 &rst     iat =   900,   902,   904,   907,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 64 LEU CHI1:  (64 LEU N)-(64 LEU CA)-(64 LEU CB)-(64 LEU CG) -90    -30.0
 &rst     iat =   964,   966,   968,   971,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 65 GLH CHI1:  (65 GLH N)-(65 GLH CA)-(65 GLH CB)-(65 GLH CG) -90    -30.0
 &rst     iat =   983,   985,   987,   990,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 81 LYS CHI1:  (81 LYS N)-(81 LYS CA)-(81 LYS CB)-(81 LYS CG) -90    -30.0
 &rst     iat =  1213,  1215,  1217,  1220,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 91 LYS CHI1:  (91 LYS N)-(91 LYS CA)-(91 LYS CB)-(91 LYS CG) -90    -30.0
 &rst     iat =  1364,  1366,  1368,  1371,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 92 LYS CHI1:  (92 LYS N)-(92 LYS CA)-(92 LYS CB)-(92 LYS CG) -90    -30.0
 &rst     iat =  1386,  1388,  1390,  1393,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 99 MET CHI1:  (99 MET N)-(99 MET CA)-(99 MET CB)-(99 MET CG) -90    -30.0
 &rst     iat =  1490,  1492,  1494,  1497,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 116 LYS CHI1:  (116 LYS N)-(116 LYS CA)-(116 LYS CB)-(116 LYS CG) -90    -30.0
 &rst     iat =  1733,  1735,  1737,  1740,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 119 LYS CHI1:  (119 LYS N)-(119 LYS CA)-(119 LYS CB)-(119 LYS CG) -90    -30.0
 &rst     iat =  1775,  1777,  1779,  1782,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 139 GLN CHI1:  (139 GLN N)-(139 GLN CA)-(139 GLN CB)-(139 GLN CG) -90    -30.0
 &rst     iat =  2098,  2100,  2102,  2105,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

## 148 MEM CHI1:  (148 MEM N)-(148 MEM CA)-(148 MEM CB)-(148 MEM CG) 150.0  -150.0
##rst     iat =  2213,  2215,  2217,  2220,
#	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 151 LYS CHI1:  (151 LYS N)-(151 LYS CA)-(151 LYS CB)-(151 LYS CG) -90    -30.0
 &rst     iat =  2259,  2261,  2263,  2266,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 155 LYS CHI1:  (155 LYS N)-(155 LYS CA)-(155 LYS CB)-(155 LYS CG) -90    -30.0
 &rst     iat =  2332,  2334,  2336,  2339,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 4 ASH CHI1:  (4 ASH N)-(4 ASH CA)-(4 ASH CB)-(4 ASH CG) 150.0  -150.0
 &rst     iat =    41,    43,    45,    48,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 7 TRP CHI1:  (7 TRP N)-(7 TRP CA)-(7 TRP CB)-(7 TRP CG) -90    -30.0
 &rst     iat =    82,    84,    86,    89,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 34 SER CHI1:  (34 SER N)-(34 SER CA)-(34 SER CB)-(34 SER OG) -90    -30.0
 &rst     iat =   510,   512,   514,   517,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 39 HIS CHI1:  (39 HIS N)-(39 HIS CA)-(39 HIS CB)-(39 HIS CG) 150.0  -150.0
 &rst     iat =   580,   582,   584,   587,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 49 PHE CHI1:  (49 PHE N)-(49 PHE CA)-(49 PHE CB)-(49 PHE CG) -90    -30.0
 &rst     iat =   716,   718,   720,   723,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 51 PHE CHI1:  (51 PHE N)-(51 PHE CA)-(51 PHE CB)-(51 PHE CG) -90    -30.0
 &rst     iat =   750,   752,   754,   757,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 53 SER CHI1:  (53 SER N)-(53 SER CA)-(53 SER CB)-(53 SER OG)   30.0 90.0
 &rst     iat =   784,   786,   788,   791,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 54 PHE CHI1:  (54 PHE N)-(54 PHE CA)-(54 PHE CB)-(54 PHE CG) -90    -30.0
 &rst     iat =   795,   797,   799,   802,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 57 HIS CHI1:  (57 HIS N)-(57 HIS CA)-(57 HIS CB)-(57 HIS CG)   30.0 90.0
 &rst     iat =   847,   849,   851,   854,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 58 ASH CHI1:  (58 ASH N)-(58 ASH CA)-(58 ASH CB)-(58 ASH CG) 150.0  -150.0
 &rst     iat =   865,   867,   869,   872,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 61 ASN CHI1:  (61 ASN N)-(61 ASN CA)-(61 ASN CB)-(61 ASN CG) -90    -30.0
 &rst     iat =   922,   924,   926,   929,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 73 ASH CHI1:  (73 ASH N)-(73 ASH CA)-(73 ASH CB)-(73 ASH CG) -90    -30.0
 &rst     iat =  1089,  1091,  1093,  1096,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 76 PHE CHI1:  (76 PHE N)-(76 PHE CA)-(76 PHE CB)-(76 PHE CG) -90    -30.0
 &rst     iat =  1132,  1134,  1136,  1139,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 78 ASN CHI1:  (78 ASN N)-(78 ASN CA)-(78 ASN CB)-(78 ASN CG) 150.0  -150.0
 &rst     iat =  1171,  1173,  1175,  1178,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 80 ASN CHI1:  (80 ASN N)-(80 ASN CA)-(80 ASN CB)-(80 ASN CG) 150.0  -150.0
 &rst     iat =  1199,  1201,  1203,  1206,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

## 83 PHE CHI1:  (83 PHE N)-(83 PHE CA)-(83 PHE CB)-(83 PHE CG) -90    -30.0
##rst     iat =  1242,  1244,  1246,  1249,
#	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

## 85 HIC CHI1:  (85 HIC N)-(85 HIC CA)-(85 HIC CB)-(85 HIC CG) 150.0  -150.0
##rst     iat =  1269,  1271,  1273,  1276,
#	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 86 SER CHI1:  (86 SER N)-(86 SER CA)-(86 SER CB)-(86 SER OG)   30.0 90.0
 &rst     iat =  1287,  1289,  1291,  1294,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 87 PHE CHI1:  (87 PHE N)-(87 PHE CA)-(87 PHE CB)-(87 PHE CG) 150.0  -150.0
 &rst     iat =  1298,  1300,  1302,  1305,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 88 ASH CHI1:  (88 ASH N)-(88 ASH CA)-(88 ASH CB)-(88 ASH CG) -90    -30.0
 &rst     iat =  1318,  1320,  1322,  1325,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 96 TYR CHI1:  (96 TYR N)-(96 TYR CA)-(96 TYR CB)-(96 TYR CG) -90    -30.0
 &rst     iat =  1443,  1445,  1447,  1450,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 103 ASH CHI1:  (103 ASH N)-(103 ASH CA)-(103 ASH CB)-(103 ASH CG) -90    -30.0
 &rst     iat =  1558,  1560,  1562,  1565,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 111 PHE CHI1:  (111 PHE N)-(111 PHE CA)-(111 PHE CB)-(111 PHE CG) -90    -30.0
 &rst     iat =  1658,  1660,  1662,  1665,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 112 SER CHI1:  (112 SER N)-(112 SER CA)-(112 SER CB)-(112 SER OG)   30.0 90.0
 &rst     iat =  1678,  1680,  1682,  1685,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 120 PHE CHI1:  (120 PHE N)-(120 PHE CA)-(120 PHE CB)-(120 PHE CG) -90    -30.0
 &rst     iat =  1797,  1799,  1801,  1804,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 122 TYR CHI1:  (122 TYR N)-(122 TYR CA)-(122 TYR CB)-(122 TYR CG)   30.0 90.0
 &rst     iat =  1824,  1826,  1828,  1831,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 124 ASH CHI1:  (124 ASH N)-(124 ASH CA)-(124 ASH CB)-(124 ASH CG) -90    -30.0
 &rst     iat =  1859,  1861,  1863,  1866,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 125 PHE CHI1:  (125 PHE N)-(125 PHE CA)-(125 PHE CB)-(125 PHE CG)   30.0 90.0
 &rst     iat =  1872,  1874,  1876,  1879,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

## 127 TRP CHI1:  (127 TRP N)-(127 TRP CA)-(127 TRP CB)-(127 TRP CG) 150.0  -150.0
##rst     iat =  1906,  1908,  1910,  1913,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 128 HIS CHI1:  (128 HIS N)-(128 HIS CA)-(128 HIS CB)-(128 HIS CG) -90    -30.0
 &rst     iat =  1930,  1932,  1934,  1937,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 134 TYR CHI1:  (134 TYR N)-(134 TYR CA)-(134 TYR CB)-(134 TYR CG) -90    -30.0
 &rst     iat =  2007,  2009,  2011,  2014,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 135 TYR CHI1:  (135 TYR N)-(135 TYR CA)-(135 TYR CB)-(135 TYR CG) -90    -30.0
 &rst     iat =  2028,  2030,  2032,  2035,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 136 TYR CHI1:  (136 TYR N)-(136 TYR CA)-(136 TYR CB)-(136 TYR CG)   30.0 90.0
 &rst     iat =  2049,  2051,  2053,  2056,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

# 138 CYS CHI1:  (138 CYS N)-(138 CYS CA)-(138 CYS CB)-(138 CYS SG) 150.0  -150.0
 &rst     iat =  2086,  2088,  2090,  2093,
	  r1 = +140.0, r2 = +150.0, r3 = +210.0, r4 = +220.0,	&end

# 143 HIS CHI1:  (143 HIS N)-(143 HIS CA)-(143 HIS CB)-(143 HIS CG) -90    -30.0
 &rst     iat =  2155,  2157,  2159,  2162,
	  r1 = -100.0, r2 = -90.0, r3 = -30.0, r4 = -20.0,	&end

# 149 PHE CHI1:  (149 PHE N)-(149 PHE CA)-(149 PHE CB)-(149 PHE CG)   30.0 90.0
 &rst     iat =  2232,  2234,  2236,  2239,
	  r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 = 100.0,	&end

#
#
#   hydrogen bond constraints:
#
#
# 8   LYS  HN	122   TYR  O	1.8	2.6
 &rst iat= 107,1844, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10, 
      rk2=20.0, rk3=20.0, ir6=1,
 &end
#
# 10   ALA  HN	120   PHE  O	1.8	2.6
 &rst iat= 145,1816, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 25   LYS  HN	32   THR  O	1.8	2.6
 &rst iat= 377, 488, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 31   VAL  HN	63   THR  O	1.8	2.6
 &rst iat= 460, 963, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 32   THR  HN	25   LYS  O	1.8	2.6
 &rst iat= 476, 397, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 33   TYR  HN	65   GLU  O	1.8	2.6
 &rst iat= 490, 998, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 40   VAL  HN	73   ASP  O	1.8	2.6
 &rst iat= 599,1101, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
## 42   ALA  HN	75   THR  O	1.8	2.6
##&rst iat= 631,1131, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end 1/17/96.
#
# 43   ALA  HN	55   GLU  O	1.8	2.6
 &rst iat= 641, 830, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 44   ALA  HN	77   ILE  O	1.8	2.6
 &rst iat= 651,1170, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
##54   PHE  HN	61   ASN  O	1.8	2.6
##rst iat= 796, 935, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 55   GLU  HN	43   ALA  O	1.8	2.6
 &rst iat= 816, 649, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 56   VAL  HN	59   LYS  O	1.8	2.6
 &rst iat= 832, 899, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 59   LYS  HN	56   VAL  O	1.8	2.6
 &rst iat= 879, 846, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 61   ASN  HN	54   PHE  O	1.8	2.6
 &rst iat= 923, 814, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 64   LEU  HN	151   LYS  O	1.8	2.6
 &rst iat= 965,2280, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 65   GLU  HN	31   VAL  O	1.8	2.6
 &rst iat= 984, 474, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 66   ILE  HN	153   VAL  O	1.8	2.6
 &rst iat=1000,2315, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 72   VAL  HN	127   TRP  O	1.8	2.6
 &rst iat=1074,1929, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 73   ASP  HN	38   VAL  O	1.8	2.6
 &rst iat=1090, 579, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 74   VAL  HN	125   PHE  O	1.8	2.6
 &rst iat=1103,1891, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 75   THR  HN	40   VAL  O	1.8	2.6
 &rst iat=1119, 613, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 76   PHE  HN	123   THR  O	1.8	2.6
 &rst iat=1133,1858, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 77   ILE  HN	42   ALA  O	1.8	2.6
 &rst iat=1153, 639, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 78   ASN  HN	121   GLY  O	1.8	2.6
 &rst iat=1172,1823, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 87   PHE  HN	109   THR  O	1.8	2.6
## &rst iat=1299,1650, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end 1/31/96
##   acceptor may be OG or 109 rather than backbone O
#
# 88   ASP  HN	137   VAL  O	1.8	2.6
 &rst iat=1319,2085, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 89   ILE  HN	107   ALA  O	1.8	2.6
 &rst iat=1332,1629, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 90   THR  HN	135   TYR  O	1.8	2.6
 &rst iat=1351,2048, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
##120   PHE  HN	10   ALA  O	1.8	2.6
##rst iat=1798, 153, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 122   TYR  HN	8   LYS  O	1.8	2.6
 &rst iat=1825, 127, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 123   THR  HN	76   PHE  O	1.8	2.6
 &rst iat=1846,1151, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 125   PHE  HN	74   VAL  O	1.8	2.6
 &rst iat=1873,1117, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 127   TRP  HN	72   VAL  O	1.8	2.6
 &rst iat=1907,1088, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 134   TYR  HN	152   ILE  O	1.8	2.6
 &rst iat=2008,2299, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 135   TYR  HN	90   THR  O	1.8	2.6
 &rst iat=2029,1363, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 136   TYR  HN	150   GLY  O	1.8	2.6
 &rst iat=2050,2258, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 137   VAL  HN	88   ASP  O	1.8	2.6
 &rst iat=2071,1330, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
##138   CYS  HN	148   MET  O	1.8	2.6
##rst iat=2087,2231, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
##148   MET  HN	138   CYS  O	1.8	2.6
##rst iat=2214,2097, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 150   GLY  HN	136   TYR  O	1.8	2.6
 &rst iat=2253,2069, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
##151   LYS  HN	62   PRO  O	1.8	2.6
##rst iat=2260, 949, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 152   ILE  HN	134   TYR  O	1.8	2.6
 &rst iat=2282,2027, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 153   VAL  HN	64   LEU  O	1.8	2.6
 &rst iat=2301, 982, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
##154   VAL  HN	132   GLY  O	1.8	2.6
##rst iat=2317,1992, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 15 VAL HN  11 THR O		1.8	2.6
 &rst iat= 219, 167, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 18 MET HN  14 GLN O		1.8	2.6
 &rst iat= 267, 217, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
# 21 LYS HN  17 ALA O		1.8	2.6
## &rst iat= 321, 265, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end 1/31/96
##   may be a 1-3 rather than a 1-4 hydrogen bond.
#
#
#  chirality and peptide constraints:
#
#
#  chirality for residue 1 atoms:  N C HA2 HA3
 &rst iat=1,6,4,5, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 20., rk3=20.,  &end
#
#  chirality for residue 2 atoms:  CA CG2 OG1 HB
 &rst iat=10,14,18,13, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=8,20,11,12, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=24,29,27,28, &end
#
#  chirality for residue 3 atoms:  CB CD1 CD2 HG
 &rst iat=26,31,35,30, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=22,39,25,26, &end
#
#  chirality for residue 5 atoms:  CA CG2 OG1 HB
 &rst iat=56,60,64,59, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=54,66,57,58, &end
#
#  chirality for residue 6 atoms:  CA CG2 OG1 HB
 &rst iat=70,74,78,73, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=68,80,71,72, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=84,89,87,88, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=82,104,85,86, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=108,113,111,112, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=110,116,114,115, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=116,122,120,121, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=113,119,117,118, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=106,126,109,110, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=144,152,147,148, &end
#
#  chirality for residue 11 atoms:  CA CG2 OG1 HB
 &rst iat=156,160,164,159, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=154,166,157,158, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=170,175,173,174, &end
#
#  chirality for residue 12 atoms:  CB CD1 CD2 HG
 &rst iat=172,177,181,176, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=168,185,171,172, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=197,191,195,196, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=194,188,192,193, &end
#
#  chirality for residue 13 atoms:  CG N HD2 HD3
 &rst iat=191,187,189,190, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=187,199,198,194, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=203,208,206,207, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=205,211,209,210, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=201,216,204,205, &end
#
#  chirality for residue 15 atoms:  CA CG1 CG2 HB
 &rst iat=220,224,228,223, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=218,232,221,222, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=236,241,239,240, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=238,244,242,243, &end
#
#  chirality for residue 16 atoms:  CD NZ HE2 HE3
 &rst iat=244,250,248,249, &end
#
#  chirality for residue 16 atoms:  CG CE HD2 HD3
 &rst iat=241,247,245,246, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=234,254,237,238, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=256,264,259,260, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=268,273,271,272, &end
#
#  chirality for residue 18 atoms:  CB SD HG2 HG3
 &rst iat=270,276,274,275, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=266,283,269,270, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=287,292,290,291, &end
#
#  chirality for residue 19 atoms:  CB CD1 CD2 HG
 &rst iat=289,294,298,293, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=285,302,288,289, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=322,327,325,326, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=324,330,328,329, &end
#
#  chirality for residue 21 atoms:  CD NZ HE2 HE3
 &rst iat=330,336,334,335, &end
#
#  chirality for residue 21 atoms:  CG CE HD2 HD3
 &rst iat=327,333,331,332, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=320,340,323,324, &end
#
#  chirality for residue 23 atoms:  CA CG2 OG1 HB
 &rst iat=357,361,365,360, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=355,367,358,359, &end
#
#  chirality for residue 24 atoms:  N C HA2 HA3
 &rst iat=369,374,372,373, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=378,383,381,382, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=380,386,384,385, &end
#
#  chirality for residue 25 atoms:  CD NZ HE2 HE3
 &rst iat=386,392,390,391, &end
#
#  chirality for residue 25 atoms:  CG CE HD2 HD3
 &rst iat=383,389,387,388, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=376,396,379,380, &end
#
#  chirality for residue 26 atoms:  CA CG1 CG2 HB
 &rst iat=400,404,408,403, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=398,412,401,402, &end
#
#  chirality for residue 27 atoms:  CA OG HB2 HB3
 &rst iat=416,421,419,420, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=414,423,417,418, &end
#
#  chirality for residue 28 atoms:  N C HA2 HA3
 &rst iat=425,430,428,429, &end
#
#  chirality for residue 30 atoms:  CA CG2 OG1 HB
 &rst iat=447,451,455,450, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=445,457,448,449, &end
#
#  chirality for residue 31 atoms:  CA CG1 CG2 HB
 &rst iat=461,465,469,464, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=459,473,462,463, &end
#
#  chirality for residue 32 atoms:  CA CG2 OG1 HB
 &rst iat=477,481,485,480, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=475,487,478,479, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=491,496,494,495, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=489,508,492,493, &end
#
#  chirality for residue 34 atoms:  CA OG HB2 HB3
 &rst iat=512,517,515,516, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=510,519,513,514, &end
#
#  chirality for residue 35 atoms:  N C HA2 HA3
 &rst iat=521,526,524,525, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=530,535,533,534, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=532,538,536,537, &end
#
#  chirality for residue 36 atoms:  CD NZ HE2 HE3
 &rst iat=538,544,542,543, &end
#
#  chirality for residue 36 atoms:  CG CE HD2 HD3
 &rst iat=535,541,539,540, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=528,548,531,532, &end
#
#  chirality for residue 37 atoms:  CA CG2 OG1 HB
 &rst iat=552,556,560,555, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=550,562,553,554, &end
#
#  chirality for residue 38 atoms:  CA CG1 CG2 HB
 &rst iat=566,570,574,569, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=564,578,567,568, &end
#
#  chirality for residue 40 atoms:  CA CG1 CG2 HB
 &rst iat=600,604,608,603, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=598,612,601,602, &end
#
#  chirality for residue 41 atoms:  CA CG1 CG2 HB
 &rst iat=616,620,624,619, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=614,628,617,618, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=630,638,633,634, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=640,648,643,644, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=650,658,653,654, &end
#
#  chirality for residue 45 atoms:  CA CG1 CG2 HB
 &rst iat=662,666,670,665, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=660,674,663,664, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=678,683,681,682, &end
#
#  chirality for residue 46 atoms:  CB CD1 CD2 HG
 &rst iat=680,685,689,684, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=676,693,679,680, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=705,699,703,704, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=702,696,700,701, &end
#
#  chirality for residue 47 atoms:  CG N HD2 HD3
 &rst iat=699,695,697,698, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=695,707,706,702, &end
#
#  chirality for residue 48 atoms:  N C HA2 HA3
 &rst iat=709,714,712,713, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=718,723,721,722, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=716,734,719,720, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=746,740,744,745, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=743,737,741,742, &end
#
#  chirality for residue 50 atoms:  CG N HD2 HD3
 &rst iat=740,736,738,739, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=736,748,747,743, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=752,757,755,756, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=750,768,753,754, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=780,774,778,779, &end
#
#  chirality for residue 52 atoms:  CB CD HG2 HG3
 &rst iat=777,771,775,776, &end
#
#  chirality for residue 52 atoms:  CG N HD2 HD3
 &rst iat=774,770,772,773, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=770,782,781,777, &end
#
#  chirality for residue 53 atoms:  CA OG HB2 HB3
 &rst iat=786,791,789,790, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=784,793,787,788, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=797,802,800,801, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=795,813,798,799, &end
#
#  chirality for residue 56 atoms:  CA CG1 CG2 HB
 &rst iat=833,837,841,836, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=831,845,834,835, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=880,885,883,884, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=882,888,886,887, &end
#
#  chirality for residue 59 atoms:  CD NZ HE2 HE3
 &rst iat=888,894,892,893, &end
#
#  chirality for residue 59 atoms:  CG CE HD2 HD3
 &rst iat=885,891,889,890, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=878,898,881,882, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=902,907,905,906, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=904,910,908,909, &end
#
#  chirality for residue 60 atoms:  CD NZ HE2 HE3
 &rst iat=910,916,914,915, &end
#
#  chirality for residue 60 atoms:  CG CE HD2 HD3
 &rst iat=907,913,911,912, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=900,920,903,904, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=924,929,927,928, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=922,934,925,926, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=946,940,944,945, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=943,937,941,942, &end
#
#  chirality for residue 62 atoms:  CG N HD2 HD3
 &rst iat=940,936,938,939, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=936,948,947,943, &end
#
#  chirality for residue 63 atoms:  CA CG2 OG1 HB
 &rst iat=952,956,960,955, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=950,962,953,954, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=966,971,969,970, &end
#
#  chirality for residue 64 atoms:  CB CD1 CD2 HG
 &rst iat=968,973,977,972, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=964,981,967,968, &end
#
#  chirality for residue 66 atoms:  CA CG2 CG1 HB
 &rst iat=1001,1005,1009,1004, &end
#
#  chirality for residue 66 atoms:  CB CD1 HG12 HG13
 &rst iat=1003,1012,1010,1011, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=999,1016,1002,1003, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1028,1022,1026,1027, &end
#
#  chirality for residue 67 atoms:  CB CD HG2 HG3
 &rst iat=1025,1019,1023,1024, &end
#
#  chirality for residue 67 atoms:  CG N HD2 HD3
 &rst iat=1022,1018,1020,1021, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1018,1030,1029,1025, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1032,1040,1035,1036, &end
#
#  chirality for residue 69 atoms:  N C HA2 HA3
 &rst iat=1042,1047,1045,1046, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1049,1057,1052,1053, &end
#
#  chirality for residue 71 atoms:  CA CG2 OG1 HB
 &rst iat=1061,1065,1069,1064, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1059,1071,1062,1063, &end
#
#  chirality for residue 72 atoms:  CA CG1 CG2 HB
 &rst iat=1075,1079,1083,1078, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1073,1087,1076,1077, &end
#
#  chirality for residue 74 atoms:  CA CG1 CG2 HB
 &rst iat=1104,1108,1112,1107, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1102,1116,1105,1106, &end
#
#  chirality for residue 75 atoms:  CA CG2 OG1 HB
 &rst iat=1120,1124,1128,1123, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1118,1130,1121,1122, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1134,1139,1137,1138, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1132,1150,1135,1136, &end
#
#  chirality for residue 77 atoms:  CA CG2 CG1 HB
 &rst iat=1154,1158,1162,1157, &end
#
#  chirality for residue 77 atoms:  CB CD1 HG12 HG13
 &rst iat=1156,1165,1163,1164, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1152,1169,1155,1156, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1173,1178,1176,1177, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1171,1183,1174,1175, &end
#
#  chirality for residue 79 atoms:  CA CG2 OG1 HB
 &rst iat=1187,1191,1195,1190, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1185,1197,1188,1189, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1201,1206,1204,1205, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1199,1211,1202,1203, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1215,1220,1218,1219, &end
#
#  chirality for residue 81 atoms:  CB CD HG2 HG3
 &rst iat=1217,1223,1221,1222, &end
#
#  chirality for residue 81 atoms:  CD NZ HE2 HE3
 &rst iat=1223,1229,1227,1228, &end
#
#  chirality for residue 81 atoms:  CG CE HD2 HD3
 &rst iat=1220,1226,1224,1225, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1213,1233,1216,1217, &end
#
#  chirality for residue 82 atoms:  N C HA2 HA3
 &rst iat=1235,1240,1238,1239, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1244,1249,1247,1248, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1242,1260,1245,1246, &end
#
#  chirality for residue 84 atoms:  N C HA2 HA3
 &rst iat=1262,1267,1265,1266, &end
#
#  chirality for residue 86 atoms:  CA OG HB2 HB3
 &rst iat=1289,1294,1292,1293, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1287,1296,1290,1291, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1300,1305,1303,1304, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1298,1316,1301,1302, &end
#
#  chirality for residue 89 atoms:  CA CG2 CG1 HB
 &rst iat=1333,1337,1341,1336, &end
#
#  chirality for residue 89 atoms:  CB CD1 HG12 HG13
 &rst iat=1335,1344,1342,1343, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1331,1348,1334,1335, &end
#
#  chirality for residue 90 atoms:  CA CG2 OG1 HB
 &rst iat=1352,1356,1360,1355, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1350,1362,1353,1354, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1366,1371,1369,1370, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1368,1374,1372,1373, &end
#
#  chirality for residue 91 atoms:  CD NZ HE2 HE3
 &rst iat=1374,1380,1378,1379, &end
#
#  chirality for residue 91 atoms:  CG CE HD2 HD3
 &rst iat=1371,1377,1375,1376, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1364,1384,1367,1368, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1388,1393,1391,1392, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1390,1396,1394,1395, &end
#
#  chirality for residue 92 atoms:  CD NZ HE2 HE3
 &rst iat=1396,1402,1400,1401, &end
#
#  chirality for residue 92 atoms:  CG CE HD2 HD3
 &rst iat=1393,1399,1397,1398, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1386,1406,1389,1390, &end
#
#  chirality for residue 93 atoms:  N C HA2 HA3
 &rst iat=1408,1413,1411,1412, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1425,1419,1423,1424, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1422,1416,1420,1421, &end
#
#  chirality for residue 94 atoms:  CG N HD2 HD3
 &rst iat=1419,1415,1417,1418, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1415,1427,1426,1422, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1439,1433,1437,1438, &end
#
#  chirality for residue 95 atoms:  CB CD HG2 HG3
 &rst iat=1436,1430,1434,1435, &end
#
#  chirality for residue 95 atoms:  CG N HD2 HD3
 &rst iat=1433,1429,1431,1432, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1429,1441,1440,1436, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1445,1450,1448,1449, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1443,1462,1446,1447, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1464,1472,1467,1468, &end
#
#  chirality for residue 98 atoms:  CA CG1 CG2 HB
 &rst iat=1476,1480,1484,1479, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1474,1488,1477,1478, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1492,1497,1495,1496, &end
#
#  chirality for residue 99 atoms:  CB SD HG2 HG3
 &rst iat=1494,1500,1498,1499, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1490,1507,1493,1494, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1519,1513,1517,1518, &end
#
#  chirality for residue 100 atoms:  CB CD HG2 HG3
 &rst iat=1516,1510,1514,1515, &end
#
#  chirality for residue 100 atoms:  CG N HD2 HD3
 &rst iat=1513,1509,1511,1512, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1509,1521,1520,1516, &end
#
#  chirality for residue 101 atoms:  CA CG1 CG2 HB
 &rst iat=1525,1529,1533,1528, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1523,1537,1526,1527, &end
#
#  chirality for residue 102 atoms:  CA CG2 CG1 HB
 &rst iat=1541,1545,1549,1544, &end
#
#  chirality for residue 102 atoms:  CB CD1 HG12 HG13
 &rst iat=1543,1552,1550,1551, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1539,1556,1542,1543, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1581,1575,1579,1580, &end
#
#  chirality for residue 104 atoms:  CB CD HG2 HG3
 &rst iat=1578,1572,1576,1577, &end
#
#  chirality for residue 104 atoms:  CG N HD2 HD3
 &rst iat=1575,1571,1573,1574, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1571,1583,1582,1578, &end
#
#  chirality for residue 105 atoms:  CA CG2 CG1 HB
 &rst iat=1587,1591,1595,1590, &end
#
#  chirality for residue 105 atoms:  CB CD1 HG12 HG13
 &rst iat=1589,1598,1596,1597, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1585,1602,1588,1589, &end
#
#  chirality for residue 106 atoms:  CA CG1 CG2 HB
 &rst iat=1606,1610,1614,1609, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1604,1618,1607,1608, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1620,1628,1623,1624, &end
#
#  chirality for residue 108 atoms:  N C HA2 HA3
 &rst iat=1630,1635,1633,1634, &end
#
#  chirality for residue 109 atoms:  CA CG2 OG1 HB
 &rst iat=1639,1643,1647,1642, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1637,1649,1640,1641, &end
#
#  chirality for residue 110 atoms:  N C HA2 HA3
 &rst iat=1651,1656,1654,1655, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=1660,1665,1663,1664, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1658,1676,1661,1662, &end
#
#  chirality for residue 112 atoms:  CA OG HB2 HB3
 &rst iat=1680,1685,1683,1684, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1678,1687,1681,1682, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1699,1693,1697,1698, &end
#
#  chirality for residue 113 atoms:  CB CD HG2 HG3
 &rst iat=1696,1690,1694,1695, &end
#
#  chirality for residue 113 atoms:  CG N HD2 HD3
 &rst iat=1693,1689,1691,1692, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1689,1701,1700,1696, &end
#
#  chirality for residue 114 atoms:  CA CG1 CG2 HB
 &rst iat=1705,1709,1713,1708, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1703,1717,1706,1707, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1729,1723,1727,1728, &end
#
#  chirality for residue 115 atoms:  CB CD HG2 HG3
 &rst iat=1726,1720,1724,1725, &end
#
#  chirality for residue 115 atoms:  CG N HD2 HD3
 &rst iat=1723,1719,1721,1722, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1719,1731,1730,1726, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1735,1740,1738,1739, &end
#
#  chirality for residue 116 atoms:  CB CD HG2 HG3
 &rst iat=1737,1743,1741,1742, &end
#
#  chirality for residue 116 atoms:  CD NZ HE2 HE3
 &rst iat=1743,1749,1747,1748, &end
#
#  chirality for residue 116 atoms:  CG CE HD2 HD3
 &rst iat=1740,1746,1744,1745, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1733,1753,1736,1737, &end
#
#  chirality for residue 118 atoms:  N C HA2 HA3
 &rst iat=1768,1773,1771,1772, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1777,1782,1780,1781, &end
#
#  chirality for residue 119 atoms:  CB CD HG2 HG3
 &rst iat=1779,1785,1783,1784, &end
#
#  chirality for residue 119 atoms:  CD NZ HE2 HE3
 &rst iat=1785,1791,1789,1790, &end
#
#  chirality for residue 119 atoms:  CG CE HD2 HD3
 &rst iat=1782,1788,1786,1787, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1775,1795,1778,1779, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1799,1804,1802,1803, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1797,1815,1800,1801, &end
#
#  chirality for residue 121 atoms:  N C HA2 HA3
 &rst iat=1817,1822,1820,1821, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1826,1831,1829,1830, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1824,1843,1827,1828, &end
#
#  chirality for residue 123 atoms:  CA CG2 OG1 HB
 &rst iat=1847,1851,1855,1850, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=1845,1857,1848,1849, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=1874,1879,1877,1878, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1872,1890,1875,1876, &end
#
#  chirality for residue 126 atoms:  CA CG2 OG1 HB
 &rst iat=1894,1898,1902,1897, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=1892,1904,1895,1896, &end
#
#  chirality for residue 127 atoms:  CA CG HB2 HB3
 &rst iat=1908,1913,1911,1912, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=1906,1928,1909,1910, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=1958,1952,1956,1957, &end
#
#  chirality for residue 129 atoms:  CB CD HG2 HG3
 &rst iat=1955,1949,1953,1954, &end
#
#  chirality for residue 129 atoms:  CG N HD2 HD3
 &rst iat=1952,1948,1950,1951, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=1948,1960,1959,1955, &end
#
#  chirality for residue 130 atoms:  CA CG2 OG1 HB
 &rst iat=1964,1968,1972,1967, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=1962,1974,1965,1966, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=1976,1984,1979,1980, &end
#
#  chirality for residue 132 atoms:  N C HA2 HA3
 &rst iat=1986,1991,1989,1990, &end
#
#  chirality for residue 133 atoms:  CA CG2 OG1 HB
 &rst iat=1995,1999,2003,1998, &end
#
#  chirality for residue 133 atoms:  N C HA CB
 &rst iat=1993,2005,1996,1997, &end
#
#  chirality for residue 134 atoms:  CA CG HB2 HB3
 &rst iat=2009,2014,2012,2013, &end
#
#  chirality for residue 134 atoms:  N C HA CB
 &rst iat=2007,2026,2010,2011, &end
#
#  chirality for residue 135 atoms:  CA CG HB2 HB3
 &rst iat=2030,2035,2033,2034, &end
#
#  chirality for residue 135 atoms:  N C HA CB
 &rst iat=2028,2047,2031,2032, &end
#
#  chirality for residue 136 atoms:  CA CG HB2 HB3
 &rst iat=2051,2056,2054,2055, &end
#
#  chirality for residue 136 atoms:  N C HA CB
 &rst iat=2049,2068,2052,2053, &end
#
#  chirality for residue 137 atoms:  CA CG1 CG2 HB
 &rst iat=2072,2076,2080,2075, &end
#
#  chirality for residue 137 atoms:  N C HA CB
 &rst iat=2070,2084,2073,2074, &end
#
#  chirality for residue 138 atoms:  CA SG HB2 HB3
 &rst iat=2088,2093,2091,2092, &end
#
#  chirality for residue 138 atoms:  N C HA CB
 &rst iat=2086,2096,2089,2090, &end
#
#  chirality for residue 139 atoms:  CA CG HB2 HB3
 &rst iat=2100,2105,2103,2104, &end
#
#  chirality for residue 139 atoms:  CB CD HG2 HG3
 &rst iat=2102,2108,2106,2107, &end
#
#  chirality for residue 139 atoms:  N C HA CB
 &rst iat=2098,2113,2101,2102, &end
#
#  chirality for residue 140 atoms:  CA CG2 CG1 HB
 &rst iat=2117,2121,2125,2120, &end
#
#  chirality for residue 140 atoms:  CB CD1 HG12 HG13
 &rst iat=2119,2128,2126,2127, &end
#
#  chirality for residue 140 atoms:  N C HA CB
 &rst iat=2115,2132,2118,2119, &end
#
#  chirality for residue 141 atoms:  CA CG HB2 HB3
 &rst iat=2144,2138,2142,2143, &end
#
#  chirality for residue 141 atoms:  CB CD HG2 HG3
 &rst iat=2141,2135,2139,2140, &end
#
#  chirality for residue 141 atoms:  CG N HD2 HD3
 &rst iat=2138,2134,2136,2137, &end
#
#  chirality for residue 141 atoms:  N C HA CB
 &rst iat=2134,2146,2145,2141, &end
#
#  chirality for residue 142 atoms:  N C HA2 HA3
 &rst iat=2148,2153,2151,2152, &end
#
#  chirality for residue 144 atoms:  N C HA CB
 &rst iat=2172,2180,2175,2176, &end
#
#  chirality for residue 145 atoms:  N C HA CB
 &rst iat=2182,2190,2185,2186, &end
#
#  chirality for residue 146 atoms:  CA CG2 OG1 HB
 &rst iat=2194,2198,2202,2197, &end
#
#  chirality for residue 146 atoms:  N C HA CB
 &rst iat=2192,2204,2195,2196, &end
#
#  chirality for residue 147 atoms:  N C HA2 HA3
 &rst iat=2206,2211,2209,2210, &end
#
#  chirality for residue 149 atoms:  CA CG HB2 HB3
 &rst iat=2234,2239,2237,2238, &end
#
#  chirality for residue 149 atoms:  N C HA CB
 &rst iat=2232,2250,2235,2236, &end
#
#  chirality for residue 150 atoms:  N C HA2 HA3
 &rst iat=2252,2257,2255,2256, &end
#
#  chirality for residue 151 atoms:  CA CG HB2 HB3
 &rst iat=2261,2266,2264,2265, &end
#
#  chirality for residue 151 atoms:  CB CD HG2 HG3
 &rst iat=2263,2269,2267,2268, &end
#
#  chirality for residue 151 atoms:  CD NZ HE2 HE3
 &rst iat=2269,2275,2273,2274, &end
#
#  chirality for residue 151 atoms:  CG CE HD2 HD3
 &rst iat=2266,2272,2270,2271, &end
#
#  chirality for residue 151 atoms:  N C HA CB
 &rst iat=2259,2279,2262,2263, &end
#
#  chirality for residue 152 atoms:  CA CG2 CG1 HB
 &rst iat=2283,2287,2291,2286, &end
#
#  chirality for residue 152 atoms:  CB CD1 HG12 HG13
 &rst iat=2285,2294,2292,2293, &end
#
#  chirality for residue 152 atoms:  N C HA CB
 &rst iat=2281,2298,2284,2285, &end
#
#  chirality for residue 153 atoms:  CA CG1 CG2 HB
 &rst iat=2302,2306,2310,2305, &end
#
#  chirality for residue 153 atoms:  N C HA CB
 &rst iat=2300,2314,2303,2304, &end
#
#  chirality for residue 154 atoms:  CA CG1 CG2 HB
 &rst iat=2318,2322,2326,2321, &end
#
#  chirality for residue 154 atoms:  N C HA CB
 &rst iat=2316,2330,2319,2320, &end
#
#  chirality for residue 155 atoms:  CA CG HB2 HB3
 &rst iat=2334,2339,2337,2338, &end
#
#  chirality for residue 155 atoms:  CB CD HG2 HG3
 &rst iat=2336,2342,2340,2341, &end
#
#  chirality for residue 155 atoms:  CD NZ HE2 HE3
 &rst iat=2342,2348,2346,2347, &end
#
#  chirality for residue 155 atoms:  CG CE HD2 HD3
 &rst iat=2339,2345,2343,2344, &end
#
#  chirality for residue 155 atoms:  N C HA CB
 &rst iat=2332,2352,2335,2336, &end
#
#  trans-omega constraint for residue 2
 &rst iat=10,8,6,3, 
   r1=150., r2=175., r3=185., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=24,22,20,10, &end
#
#  trans-omega constraint for residue 4
 &rst iat=43,41,39,24, &end
#
#  trans-omega constraint for residue 5
 &rst iat=56,54,52,43, &end
#
#  trans-omega constraint for residue 6
 &rst iat=70,68,66,56, &end
#
#  trans-omega constraint for residue 7
 &rst iat=84,82,80,70, &end
#
#  trans-omega constraint for residue 8
 &rst iat=108,106,104,84, &end
#
#  trans-omega constraint for residue 9
 &rst iat=130,128,126,108, &end
#
#  trans-omega constraint for residue 10
 &rst iat=146,144,142,130, &end
#
#  trans-omega constraint for residue 11
 &rst iat=156,154,152,146, &end
#
#  trans-omega constraint for residue 12
 &rst iat=170,168,166,156, &end
#
#  trans-omega constraint for residue 13
 &rst iat=197,187,185,170, &end
#
#  trans-omega constraint for residue 14
 &rst iat=203,201,199,197, &end
#
#  trans-omega constraint for residue 15
 &rst iat=220,218,216,203, &end
#
#  trans-omega constraint for residue 16
 &rst iat=236,234,232,220, &end
#
#  trans-omega constraint for residue 17
 &rst iat=258,256,254,236, &end
#
#  trans-omega constraint for residue 18
 &rst iat=268,266,264,258, &end
#
#  trans-omega constraint for residue 19
 &rst iat=287,285,283,268, &end
#
#  trans-omega constraint for residue 20
 &rst iat=306,304,302,287, &end
#
#  trans-omega constraint for residue 21
 &rst iat=322,320,318,306, &end
#
#  trans-omega constraint for residue 22
 &rst iat=344,342,340,322, &end
#
#  trans-omega constraint for residue 23
 &rst iat=357,355,353,344, &end
#
#  trans-omega constraint for residue 24
 &rst iat=371,369,367,357, &end
#
#  trans-omega constraint for residue 25
 &rst iat=378,376,374,371, &end
#
#  trans-omega constraint for residue 26
 &rst iat=400,398,396,378, &end
#
#  trans-omega constraint for residue 27
 &rst iat=416,414,412,400, &end
#
#  trans-omega constraint for residue 28
 &rst iat=427,425,423,416, &end
#
#  trans-omega constraint for residue 29
 &rst iat=434,432,430,427, &end
#
#  trans-omega constraint for residue 30
 &rst iat=447,445,443,434, &end
#
#  trans-omega constraint for residue 31
 &rst iat=461,459,457,447, &end
#
#  trans-omega constraint for residue 32
 &rst iat=477,475,473,461, &end
#
#  trans-omega constraint for residue 33
 &rst iat=491,489,487,477, &end
#
#  trans-omega constraint for residue 34
 &rst iat=512,510,508,491, &end
#
#  trans-omega constraint for residue 35
 &rst iat=523,521,519,512, &end
#
#  trans-omega constraint for residue 36
 &rst iat=530,528,526,523, &end
#
#  trans-omega constraint for residue 37
 &rst iat=552,550,548,530, &end
#
#  trans-omega constraint for residue 38
 &rst iat=566,564,562,552, &end
#
#  trans-omega constraint for residue 39
 &rst iat=582,580,578,566, &end
#
#  trans-omega constraint for residue 40
 &rst iat=600,598,596,582, &end
#
#  trans-omega constraint for residue 41
 &rst iat=616,614,612,600, &end
#
#  trans-omega constraint for residue 42
 &rst iat=632,630,628,616, &end
#
#  trans-omega constraint for residue 43
 &rst iat=642,640,638,632, &end
#
#  trans-omega constraint for residue 44
 &rst iat=652,650,648,642, &end
#
#  trans-omega constraint for residue 45
 &rst iat=662,660,658,652, &end
#
#  trans-omega constraint for residue 46
 &rst iat=678,676,674,662, &end
#
#  trans-omega constraint for residue 47
 &rst iat=705,695,693,678, &end
#
#  trans-omega constraint for residue 48
 &rst iat=711,709,707,705, &end
#
#  trans-omega constraint for residue 49
 &rst iat=718,716,714,711, &end
#
#  trans-omega constraint for residue 50
 &rst iat=746,736,734,718, &end
#
#  trans-omega constraint for residue 51
 &rst iat=752,750,748,746, &end
#
#  cis-omega constraint for residue 52
 &rst iat=780,770,768,752,
   r1=-30., r2=-5., r3=5., r4=30., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 53
 &rst iat=786,784,782,780, 
   r1=150., r2=175., r3=185., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 54
 &rst iat=797,795,793,786, &end
#
#  trans-omega constraint for residue 55
 &rst iat=817,815,813,797, &end
#
#  trans-omega constraint for residue 56
 &rst iat=833,831,829,817, &end
#
#  trans-omega constraint for residue 57
 &rst iat=849,847,845,833, &end
#
#  trans-omega constraint for residue 58
 &rst iat=867,865,863,849, &end
#
#  trans-omega constraint for residue 59
 &rst iat=880,878,876,867, &end
#
#  trans-omega constraint for residue 60
 &rst iat=902,900,898,880, &end
#
#  trans-omega constraint for residue 61
 &rst iat=924,922,920,902, &end
#
## trans-omega constraint for residue 62
##rst iat=946,936,934,924, &end
#
#  trans-omega constraint for residue 63
 &rst iat=952,950,948,946, &end
#
#  trans-omega constraint for residue 64
 &rst iat=966,964,962,952, &end
#
#  trans-omega constraint for residue 65
 &rst iat=985,983,981,966, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1001,999,997,985, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1028,1018,1016,1001, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1034,1032,1030,1028, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1044,1042,1040,1034, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1051,1049,1047,1044, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1061,1059,1057,1051, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1075,1073,1071,1061, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1091,1089,1087,1075, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1104,1102,1100,1091, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1120,1118,1116,1104, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1134,1132,1130,1120, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1154,1152,1150,1134, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1173,1171,1169,1154, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1187,1185,1183,1173, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1201,1199,1197,1187, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1215,1213,1211,1201, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1237,1235,1233,1215, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1244,1242,1240,1237, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1264,1262,1260,1244, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1271,1269,1267,1264, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1289,1287,1285,1271, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1300,1298,1296,1289, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1320,1318,1316,1300, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1333,1331,1329,1320, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1352,1350,1348,1333, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1366,1364,1362,1352, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1388,1386,1384,1366, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1410,1408,1406,1388, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1425,1415,1413,1410, &end
#
#  cis-omega constraint for residue 95
 &rst iat=1439,1429,1427,1425,
   r1=-30., r2=-5., r3=5., r4=30., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 96
 &rst iat=1445,1443,1441,1439,
   r1=150., r2=175., r3=185., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 97
 &rst iat=1466,1464,1462,1445, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1476,1474,1472,1466, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1492,1490,1488,1476, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1519,1509,1507,1492, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1525,1523,1521,1519, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1541,1539,1537,1525, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1560,1558,1556,1541, &end
#
#  cis-omega constraint for residue 104
##  &rst iat=1581,1571,1569,1560, &end  1/31/96: let it float
#
#  trans-omega constraint for residue 105
 &rst iat=1587,1585,1583,1581, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1606,1604,1602,1587, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1622,1620,1618,1606, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1632,1630,1628,1622, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1639,1637,1635,1632, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1653,1651,1649,1639, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1660,1658,1656,1653, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1680,1678,1676,1660, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1699,1689,1687,1680, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1705,1703,1701,1699, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1729,1719,1717,1705, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1735,1733,1731,1729, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1757,1755,1753,1735, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1770,1768,1766,1757, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1777,1775,1773,1770, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1799,1797,1795,1777, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1819,1817,1815,1799, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1826,1824,1822,1819, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1847,1845,1843,1826, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1861,1859,1857,1847, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1874,1872,1870,1861, &end
#
#  trans-omega constraint for residue 126
 &rst iat=1894,1892,1890,1874, &end
#
#  trans-omega constraint for residue 127
 &rst iat=1908,1906,1904,1894, &end
#
#  trans-omega constraint for residue 128
 &rst iat=1932,1930,1928,1908, &end
#
#  trans-omega constraint for residue 129
 &rst iat=1958,1948,1946,1932, &end
#
#  trans-omega constraint for residue 130
 &rst iat=1964,1962,1960,1958, &end
#
#  trans-omega constraint for residue 131
 &rst iat=1978,1976,1974,1964, &end
#
#  trans-omega constraint for residue 132
 &rst iat=1988,1986,1984,1978, &end
#
#  trans-omega constraint for residue 133
 &rst iat=1995,1993,1991,1988, &end
#
#  trans-omega constraint for residue 134
 &rst iat=2009,2007,2005,1995, &end
#
#  trans-omega constraint for residue 135
 &rst iat=2030,2028,2026,2009, &end
#
#  trans-omega constraint for residue 136
 &rst iat=2051,2049,2047,2030, &end
#
#  trans-omega constraint for residue 137
 &rst iat=2072,2070,2068,2051, &end
#
#  trans-omega constraint for residue 138
 &rst iat=2088,2086,2084,2072, &end
#
#  trans-omega constraint for residue 139
 &rst iat=2100,2098,2096,2088, &end
#
#  trans-omega constraint for residue 140
 &rst iat=2117,2115,2113,2100, &end
#
#  trans-omega constraint for residue 141
 &rst iat=2144,2134,2132,2117, &end
#
#  trans-omega constraint for residue 142
 &rst iat=2150,2148,2146,2144, &end
#
#  trans-omega constraint for residue 143
 &rst iat=2157,2155,2153,2150, &end
#
#  trans-omega constraint for residue 144
 &rst iat=2174,2172,2170,2157, &end
#
#  trans-omega constraint for residue 145
 &rst iat=2184,2182,2180,2174, &end
#
#  trans-omega constraint for residue 146
 &rst iat=2194,2192,2190,2184, &end
#
#  trans-omega constraint for residue 147
 &rst iat=2208,2206,2204,2194, &end
#
#  trans-omega constraint for residue 148
 &rst iat=2215,2213,2211,2208, &end
#
#  trans-omega constraint for residue 149
 &rst iat=2234,2232,2230,2215, &end
#
#  trans-omega constraint for residue 150
 &rst iat=2254,2252,2250,2234, &end
#
#  trans-omega constraint for residue 151
 &rst iat=2261,2259,2257,2254, &end
#
#  trans-omega constraint for residue 152
 &rst iat=2283,2281,2279,2261, &end
#
#  trans-omega constraint for residue 153
 &rst iat=2302,2300,2298,2283, &end
#
#  trans-omega constraint for residue 154
 &rst iat=2318,2316,2314,2302, &end
#
#  trans-omega constraint for residue 155
 &rst iat=2334,2332,2330,2318, &end
#
#
#
#   1 GLY  HA2     2 THR  HN      3.70
 &rst iat=   4,   9, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20, 
      rk2=0.0, rk3=20.0, ir6=1,
 &end
#
#   2 THR  HN      2 THR  HB      3.70
 &rst iat=   9,  13, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   2 THR  HN      2 THR  MG      5.00
 &rst iat=   9,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  15,  16,  17,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##   2 THR  HA      3 LEU  HN      3.00
## &rst iat=  11,  23, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end 3/25/96.
#
#   2 THR  HN      3 LEU  HN      4.00
 &rst iat=   9,  23, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   3 LEU  HN      3 LEU  HA      3.70
 &rst iat=  23,  25, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   3 LEU  HN      3 LEU  HB2     3.00
 &rst iat=  23,  27, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   3 LEU  HN      3 LEU  HB3     5.00
 &rst iat=  23,  28, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   3 LEU  HN      3 LEU  MD1     5.00
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HN      3 LEU  MD2     5.01
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  36,  37,  38,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##   3 LEU  HA      4 ASP  HN      3.00 3/25/96.
## &rst iat=  25,  42, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   3 LEU  HB2     4 ASP  HN      3.70
 &rst iat=  27,  42, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   3 LEU  HB3     4 ASP  HN      5.00
 &rst iat=  28,  42, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   3 LEU  MD2     4 ASP  HN      5.35
 &rst iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=  36,  37,  38,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HB3   110 GLY  HN      5.80
 &rst iat=  28,1652, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   4 ASP  HN      4 ASP  QPB     5.00
 &rst iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  46,  47,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 ASP  HN    109 THR  HA      5.00
 &rst iat=  42,1640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   5 THR  HN      5 THR  MG      5.17
 &rst iat=  55,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  61,  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  HN      6 THR  HB      5.00
 &rst iat=  69,  73, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   6 THR  HN      6 THR  MG      5.00
 &rst iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  HA      7 TRP  HN      3.70
 &rst iat=  71,  83, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   6 THR  MG      7 TRP  HN      4.00
 &rst iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 TRP  HN      7 TRP  HB2     5.00
 &rst iat=  83,  87, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 TRP  HN      7 TRP  HB3     5.00
 &rst iat=  83,  88, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 TRP  HN      7 TRP  HD      5.00  (## loosened from 4A 2/9/96.)
 &rst iat=  83,  91, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 TRP  HB3     8 LYS  HN      5.00
 &rst iat=  88, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 LYS  HN      8 LYS  HB2     3.70
 &rst iat= 107, 111, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   8 LYS  HN      8 LYS  HB3     3.70
 &rst iat= 107, 112, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   8 LYS  HN      8 LYS  QPG     5.00
 &rst iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 114, 115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 LYS  HA      9 GLU  HN      5.00
 &rst iat= 109, 129, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 LYS  HB2     9 GLU  HN      5.00
 &rst iat= 111, 129, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   8 LYS  HB3     9 GLU  HN      3.70
 &rst iat= 112, 129, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   8 LYS  HN    122 TYR  HN      5.00
 &rst iat= 107,1825, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   9 GLU  HN      9 GLU  QPB     5.00
 &rst iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 133, 134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  HN      9 GLU  QPG     5.00
 &rst iat= 129,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 136, 137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  HA     10 ALA  HN      3.70
 &rst iat= 131, 145, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   9 GLU  QPB    10 ALA  HN      5.00
 &rst iat=  -1, 145, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 133, 134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  QPB   120 PHE  HN      5.10
 &rst iat=  -1,1798, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 133, 134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HN    121 GLY  QPA     5.00
 &rst iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1820,1821,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HN     10 ALA  MB      3.70
 &rst iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HA     11 THR  HN      3.70
 &rst iat= 147, 155, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  10 ALA  MB     11 THR  HN      3.70
 &rst iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HN    119 LYS  QPB     5.24
 &rst iat= 145,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1780,1781,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HN    120 PHE  HN      4.00
 &rst iat= 145,1798, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  11 THR  HA     12 LEU  HN      3.70
 &rst iat= 157, 169, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  11 THR  HN    120 PHE  HB2     3.70
 &rst iat= 155,1802, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  11 THR  HN     14 GLN  HB3     5.00
 &rst iat= 155, 207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 THR  HN     14 GLN  HN      5.00
 &rst iat= 155, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  12 LEU  HN     12 LEU  HB2     3.70
 &rst iat= 169, 173, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  12 LEU  HN     12 LEU  HB3     3.70
 &rst iat= 169, 174, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  12 LEU  HN     12 LEU  QQD     5.00
 &rst iat= 169, 175, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  12 LEU  HN     13 PRO  QPD     5.00
 &rst iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  HA     15 VAL  HN      3.70
 &rst iat= 171, 219, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  12 LEU  HN    120 PHE  HZ      5.25
 &rst iat= 169,1810, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  13 PRO  HA     14 GLN  HN      5.00
 &rst iat= 198, 202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  13 PRO  QPB    14 GLN  HN      5.00
 &rst iat=  -1, 202, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 195, 196,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  HB3     15 VAL  HN      5.00
 &rst iat= 174, 219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  14 GLN  HNE1   14 GLN  QPG     5.89
 &rst iat= 214,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 209, 210,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HN     14 GLN  HB2     3.70
 &rst iat= 202, 206, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  14 GLN  HN     14 GLN  HB3     5.00
 &rst iat= 202, 207, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 GLN  HA     15 VAL  HN      5.00
 &rst iat= 204, 219, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 GLN  HB3    15 VAL  HN      3.70 ## loosened.
 &rst iat= 207, 219, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  14 GLN  HN     15 VAL  HN      4.00
 &rst iat= 202, 219, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  14 GLN  QPG    15 VAL  HN      5.00
 &rst iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 209, 210,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HN     17 ALA  MB      5.00
 &rst iat= 202,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  HN     15 VAL  HB      3.00
 &rst iat= 219, 223, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  15 VAL  HN     15 VAL  MG1     5.00
 &rst iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  HN     15 VAL  MG2     4.00
 &rst iat= 219,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  HB     16 LYS  HN      3.70
 &rst iat= 223, 235, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  15 VAL  HN     16 LYS  HN      4.00
 &rst iat= 219, 235, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  15 VAL  MG1    16 LYS  HN      5.00
 &rst iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG2    16 LYS  HN      4.00
 &rst iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  HA     18 MET  HN      5.00
 &rst iat= 221, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 LYS  HN     16 LYS  HB2     3.00
 &rst iat= 235, 239, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  16 LYS  HN     16 LYS  QPG     5.00
 &rst iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 242, 243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HA     17 ALA  HN      5.00
 &rst iat= 237, 257, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 LYS  HB2    17 ALA  HN      3.70
 &rst iat= 239, 257, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  16 LYS  HN     17 ALA  HN      4.00
 &rst iat= 235, 257, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  16 LYS  QPG    17 ALA  HN      5.00
 &rst iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 242, 243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HN     18 MET  HN      5.00
 &rst iat= 235, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 ALA  HN     17 ALA  MB      3.00
 &rst iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 ALA  HA     18 MET  HN      5.00
 &rst iat= 259, 267, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  17 ALA  HN     18 MET  HN      4.00
 &rst iat= 257, 267, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  17 ALA  MB     18 MET  HN      3.70
 &rst iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 ALA  HA     19 LEU  HN      5.00
 &rst iat= 259, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 MET  HN     18 MET  HB2     3.70
 &rst iat= 267, 271, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  18 MET  HN     18 MET  HB3     3.70
 &rst iat= 267, 272, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  18 MET  HN     18 MET  QPG     5.00
 &rst iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 274, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HB2    19 LEU  HN      3.70
 &rst iat= 271, 286, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  18 MET  HB3    19 LEU  HN      5.00
 &rst iat= 272, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 MET  HN     19 LEU  HN      4.00
 &rst iat= 267, 286, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  18 MET  QPG    19 LEU  HN      5.13
 &rst iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 274, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HA     21 LYS  HN      5.00
 &rst iat= 269, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 LEU  HN     19 LEU  HB3     3.70
 &rst iat= 286, 291, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  19 LEU  HN     19 LEU  HG      3.00
 &rst iat= 286, 293, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  19 LEU  HN     19 LEU  QQD     4.00
 &rst iat= 286, 292, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  19 LEU  HA     20 GLU  HN      5.78
 &rst iat= 288, 305, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
#  19 LEU  HB3    20 GLU  HN      5.13
 &rst iat= 291, 305, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  19 LEU  HG     20 GLU  HN      5.00
 &rst iat= 293, 305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 LEU  HN     20 GLU  HN      4.00
 &rst iat= 286, 305, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  19 LEU  HN     21 LYS  HN      6.55
 &rst iat= 286, 321, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  20 GLU  HN     20 GLU  HB2     3.70
 &rst iat= 305, 309, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  20 GLU  HN     20 GLU  HB3     5.00
 &rst iat= 305, 310, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  20 GLU  HN     20 GLU  QPG     5.00
 &rst iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 GLU  HB2    21 LYS  HN      3.70
 &rst iat= 309, 321, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  20 GLU  HB3    21 LYS  HN      5.00
 &rst iat= 310, 321, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  20 GLU  HN     21 LYS  HN      4.00
 &rst iat= 305, 321, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  20 GLU  HN     22 ASP  HN      5.00
 &rst iat= 305, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 LYS  HN     21 LYS  QPB     5.00
 &rst iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 325, 326,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 LYS  HN     21 LYS  QPG     5.00
 &rst iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 328, 329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 LYS  HA     22 ASP  HN      5.00
 &rst iat= 323, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  21 LYS  HN     22 ASP  HN      4.00
 &rst iat= 321, 343, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  21 LYS  QPB    22 ASP  HN      5.30
 &rst iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 325, 326,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 ASP  HN     22 ASP  QPB     5.00
 &rst iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 347, 348,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 ASP  HN     41 VAL  MG2     5.00
 &rst iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 ASP  QPB    41 VAL  HN      5.17
 &rst iat=  -1, 615, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 347, 348,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  HN     23 THR  MG      4.00
 &rst iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  HN     24 GLY  HN      5.00
 &rst iat= 356, 370, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  23 THR  MG     39 HISP HN      5.00
 &rst iat=  -1, 581, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLY  HA3    25 LYS  HN      3.70
 &rst iat= 373, 377, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  24 GLY  HA2    25 LYS  HN      3.70
 &rst iat= 372, 377, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  24 GLY  HN     25 LYS  HN      5.00
 &rst iat= 370, 377, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  24 GLY  HN     31 VAL  MG1     5.00
 &rst iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLY  HA2    32 THR  HN      3.70
 &rst iat= 372, 476, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  24 GLY  HN     33 TYR  CZ      6.37
 &rst iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 500, 505,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  HN     25 LYS  QPB     5.00
 &rst iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  HN     25 LYS  QPG     5.00
 &rst iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 384, 385,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  HA     26 VAL  HN      3.00
 &rst iat= 379, 399, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25 LYS  HN     26 VAL  HN      5.52
 &rst iat= 377, 399, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,  &end
#
#  25 LYS  QPB    26 VAL  HN      5.00
 &rst iat=  -1, 399, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  HN     31 VAL  MG1     4.00
 &rst iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  HN     32 THR  HN      4.00
 &rst iat= 377, 476, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  25 LYS  QPB    32 THR  HN      5.22
 &rst iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HN     26 VAL  HB      3.00
 &rst iat= 399, 403, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  26 VAL  HN     26 VAL  MG2     4.00
 &rst iat= 399,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 409, 410, 411,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HA     27 SER  HN      3.00
 &rst iat= 401, 415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  26 VAL  HB     27 SER  HN      5.00
 &rst iat= 403, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 VAL  HN     27 SER  HN      5.00
 &rst iat= 399, 415, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  26 VAL  MG1    27 SER  HN      4.00
 &rst iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 405, 406, 407,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  MG1    28 GLY  HN      5.00
 &rst iat=  -1, 426, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 405, 406, 407,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HA     32 THR  HN      5.00
 &rst iat= 401, 476, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 SER  HN     27 SER  QPB     5.00
 &rst iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 419, 420,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 SER  HA     28 GLY  HN      3.70
 &rst iat= 417, 426, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  27 SER  HN     30 THR  HN      5.00
 &rst iat= 415, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 SER  HN     30 THR  MG      5.00
 &rst iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 SER  HN     31 VAL  HA      3.70
 &rst iat= 415, 462, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  28 GLY  HA3    29 ASP  HN      3.70
 &rst iat= 429, 433, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  28 GLY  HA2    29 ASP  HN      3.70
 &rst iat= 428, 433, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  29 ASP  HN     29 ASP  QPB     5.00
 &rst iat= 433,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 437, 438,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 ASP  HA     30 THR  HN      5.00
 &rst iat= 435, 446, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 ASP  HN     30 THR  HN      4.00
 &rst iat= 433, 446, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  30 THR  HN     30 THR  HB      3.70
 &rst iat= 446, 450, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  30 THR  HN     30 THR  MG      4.00
 &rst iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  HA     31 VAL  HN      3.00
 &rst iat= 448, 460, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  30 THR  HB     31 VAL  HN      5.00
 &rst iat= 450, 460, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 THR  MG     31 VAL  HN      4.00
 &rst iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HN     31 VAL  HB      3.70
 &rst iat= 460, 464, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  31 VAL  HN     31 VAL  MG2     4.00
 &rst iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HA     32 THR  HN      3.00
 &rst iat= 462, 476, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31 VAL  MG1    32 THR  HN      4.00
 &rst iat=  -1, 476, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  31 VAL  HB     59 LYS  HN      3.70 3/25/96.
## &rst iat= 464, 879, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  31 VAL  HN     62 PRO  QPB     5.00
 &rst iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HN     64 LEU  HA      5.00
 &rst iat= 460, 967, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  31 VAL  HN     64 LEU  QQD     5.00
 &rst iat= 460, 971, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  32 THR  HN     32 THR  HB      3.70
 &rst iat= 476, 480, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  32 THR  HN     32 THR  MG      4.00
 &rst iat= 476,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  HA     33 TYR  HN      3.70
 &rst iat= 478, 490, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  32 THR  HB     33 TYR  HN      5.37
 &rst iat= 480, 490, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#  32 THR  MG     33 TYR  HN      4.00
 &rst iat=  -1, 490, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  HA     65 GLU  HN      5.00
 &rst iat= 478, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  33 TYR  HN     33 TYR  CG      5.00
 &rst iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  HN     33 TYR  QPB     5.00
 &rst iat= 490,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB    34 SER  HN      5.00
 &rst iat=  -1, 511, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  HN     65 GLU  HB2     5.00
 &rst iat= 490, 988, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  34 SER  HN     34 SER  QPB     5.00
 &rst iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 SER  HN     38 VAL  MG2     4.00
 &rst iat= 511,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  35 GLY  HA3    36 LYS  HN      5.00
 &rst iat= 525, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 GLY  HA2    36 LYS  HN      5.00
 &rst iat= 524, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 GLY  HN     36 LYS  HN      5.00
 &rst iat= 522, 529, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  35 GLY  HN     67 PRO  QPG     5.35
 &rst iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1023,1024,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HN     36 LYS  HB2     3.70
 &rst iat= 529, 533, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  36 LYS  HN     36 LYS  HB3     3.70
 &rst iat= 529, 534, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  36 LYS  HN     36 LYS  QPG     5.00
 &rst iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 537,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HA     37 THR  HN      5.00
 &rst iat= 531, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 LYS  HB2    37 THR  HN      5.00
 &rst iat= 533, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 LYS  HB3    37 THR  HN      5.00
 &rst iat= 534, 551, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 LYS  HN     37 THR  HN      4.00
 &rst iat= 529, 551, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  37 THR  HN     37 THR  HB      5.00
 &rst iat= 551, 555, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37 THR  HN     37 THR  MG      5.00
 &rst iat= 551,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 557, 558, 559,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 THR  HA     38 VAL  HN      3.70
 &rst iat= 553, 565, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  37 THR  HB     38 VAL  HN      5.00
 &rst iat= 555, 565, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  37 THR  MG     38 VAL  HN      4.00
 &rst iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 557, 558, 559,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 THR  HA     71 THR  HN      5.00
 &rst iat= 553,1060, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 VAL  HN     38 VAL  HB      3.70
 &rst iat= 565, 569, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  38 VAL  HN     38 VAL  MG2     4.00
 &rst iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  HA     39 HISP HN      3.70
 &rst iat= 567, 581, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  38 VAL  HN     72 VAL  HA      5.00
 &rst iat= 565,1076, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 HISP HN     39 HISP HB2     5.00
 &rst iat= 581, 585, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 HISP HN     39 HISP HB3     5.00
 &rst iat= 581, 586, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 HISP HA     40 VAL  HN      3.70
 &rst iat= 583, 599, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  39 HISP HD     40 VAL  HN      4.00
 &rst iat= 595, 599, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  39 HISP HA     73 ASP  HN      3.70
 &rst iat= 583,1090, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  40 VAL  HN     40 VAL  HB      3.70
 &rst iat= 599, 603, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  40 VAL  HN     40 VAL  MG1     4.00
 &rst iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 605, 606, 607,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  HN     40 VAL  MG2     4.00
 &rst iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 609, 610, 611,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  HA     41 VAL  HN      3.70
 &rst iat= 601, 615, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  40 VAL  MG1    75 THR  HN      5.00
 &rst iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 605, 606, 607,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  HN     41 VAL  HB      5.00
 &rst iat= 615, 619, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  41 VAL  HN     41 VAL  MG1     4.00
 &rst iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  HN     41 VAL  MG2     5.00
 &rst iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  HA     42 ALA  HN      3.70
 &rst iat= 617, 631, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  41 VAL  MG1    42 ALA  HN      4.00
 &rst iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  HA     75 THR  HN      3.70
 &rst iat= 617,1119, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  42 ALA  HN     42 ALA  MB      3.70
 &rst iat= 631,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  HA     43 ALA  HN      3.00
 &rst iat= 633, 641, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  42 ALA  MB     43 ALA  HN      3.70
 &rst iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  HN     75 THR  HB      5.00
 &rst iat= 631,1123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  42 ALA  HN     76 PHE  HA      5.31
 &rst iat= 631,1135, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  43 ALA  HN     43 ALA  MB      3.70
 &rst iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  43 ALA  HA     44 ALA  HN      3.70
 &rst iat= 643, 651, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  43 ALA  MB     44 ALA  HN      3.70 ##(loosened to 4.5A).
 &rst iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  43 ALA  HN     55 GLU  HN      4.00
 &rst iat= 641, 816, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  43 ALA  HN     56 VAL  MG2     4.00
 &rst iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  43 ALA  HA     77 ILE  HN      3.70
 &rst iat= 643,1153, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  44 ALA  HN     78 ASN  HA      5.00 ## tightened to 4.5A 4/10/96.
 &rst iat= 651,1174, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  44 ALA  HN     79 THR  HN      5.00
 &rst iat= 651,1186, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  44 ALA  MB     79 THR  HN      5.00
 &rst iat=  -1,1186, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  HN     45 VAL  MG2     4.00
 &rst iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  HA     46 LEU  HN      3.70
 &rst iat= 663, 677, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  45 VAL  MG2    53 SER  HN      4.00
 &rst iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  MG1    80 ASN  HND1    5.13
 &rst iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  MG1    80 ASN  HND2    5.10
 &rst iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  46 LEU  HN     46 LEU  HB2     3.70
 &rst iat= 677, 681, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  46 LEU  HN     46 LEU  HG      4.00
 &rst iat= 677, 684, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  46 LEU  HN     46 LEU  QQD     4.00
 &rst iat= 677, 683, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  47 PRO  HA     48 GLY  HN      3.70
 &rst iat= 706, 710, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  47 PRO  QPB    48 GLY  HN      5.06
 &rst iat=  -1, 710, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 703, 704,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  48 GLY  HN     49 PHE  HN      4.00
 &rst iat= 710, 717, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  49 PHE  HN     49 PHE  HB2     3.70
 &rst iat= 717, 721, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  49 PHE  HN     49 PHE  CG      5.00
 &rst iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 725, 733,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 PRO  HA     51 PHE  HN      3.70
 &rst iat= 747, 751, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  50 PRO  QPB    51 PHE  HN      5.00
 &rst iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 744, 745,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  51 PHE  HN     51 PHE  QPB     5.00
 &rst iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 755, 756,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 CPRO HA     53 SER  HN      5.00
 &rst iat= 781, 785, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  53 SER  HA     54 PHE  HN      3.70
 &rst iat= 787, 796, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  53 SER  QPB    54 PHE  HN      5.55
 &rst iat=  -1, 796, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 789, 790,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 PHE  HN     54 PHE  HB2     5.00
 &rst iat= 796, 800, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  54 PHE  HN     54 PHE  CG      5.33
 &rst iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 PHE  HA     55 GLU  HN      3.70
 &rst iat= 798, 816, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  54 PHE  HB3    55 GLU  HN      5.00
 &rst iat= 801, 816, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 GLU  HN     55 GLU  HB2     3.70
 &rst iat= 816, 820, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  55 GLU  HN     55 GLU  HB3     5.00
 &rst iat= 816, 821, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 GLU  HA     56 VAL  HN      3.70
 &rst iat= 818, 832, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  55 GLU  HB2    56 VAL  HN      5.00
 &rst iat= 820, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 GLU  HB3    56 VAL  HN      5.00
 &rst iat= 821, 832, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 GLU  HB3    61 ASN  HND1    5.28 ##loosened 3/25/96.
 &rst iat= 821, 932, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.28,  &end
#
#  56 VAL  HN     56 VAL  HB      3.70
 &rst iat= 832, 836, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  56 VAL  HN     56 VAL  MG1     5.00
 &rst iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 838, 839, 840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  HN     56 VAL  MG2     4.00
 &rst iat= 832,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  HA     57 HISP HN      3.70
 &rst iat= 834, 848, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  56 VAL  MG1    57 HISP HN      4.00
 &rst iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 838, 839, 840,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  MG2    57 HISP HN      6.41
 &rst iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr1= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  HN     59 LYS  HN      4.00
 &rst iat= 832, 879, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  56 VAL  HN     60 LYS  HB2     5.00
 &rst iat= 832, 905, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  57 HISP HN     57 HISP QPB     5.02
 &rst iat= 848,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 852, 853,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  57 HISP HA     58 ASP  HN      3.00 3/25/96.
## &rst iat= 850, 866, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  58 ASP  HN     58 ASP  QPB     5.82
 &rst iat= 866,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 870, 871,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  58 ASP  HA     59 LYS  HN      5.00
 &rst iat= 868, 879, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 ASP  HN     59 LYS  HN      4.00
 &rst iat= 866, 879, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  59 LYS  HN     59 LYS  QPB     5.00
 &rst iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 883, 884,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  HN     59 LYS  QPG     5.39
 &rst iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  HA     60 LYS  HN      3.70
 &rst iat= 881, 901, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  59 LYS  QPB    60 LYS  HN      5.00
 &rst iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 883, 884,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 LYS  HN     60 LYS  HB2     3.70
 &rst iat= 901, 905, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  61 ASN  HND1   61 ASN  HB2     5.00
 &rst iat= 932, 927, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  61 ASN  HND2   61 ASN  HB3     5.14
 &rst iat= 933, 928, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  61 ASN  HN     62 PRO  QPD     5.28
 &rst iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 938, 939,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 THR  HN     30 THR  HA      3.70
 &rst iat= 951, 448, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  63 THR  HN     63 THR  HB      3.70
 &rst iat= 951, 955, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  63 THR  HA     64 LEU  HN      3.00
 &rst iat= 953, 965, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  63 THR  MG     64 LEU  HN      4.00
 &rst iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 THR  HA    151 LYS  HN      5.00
 &rst iat= 953,2260, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 LEU  HN     64 LEU  HB3     3.70
 &rst iat= 965, 970, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  64 LEU  HA     65 GLU  HN      3.00
 &rst iat= 967, 984, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  64 LEU  HB2    65 GLU  HN      5.00
 &rst iat= 969, 984, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  64 LEU  HG     65 GLU  HN      4.00
 &rst iat= 972, 984, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  65 GLU  HN     65 GLU  HB2     3.70
 &rst iat= 984, 988, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  65 GLU  HN     65 GLU  QPG     5.00
 &rst iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 991, 992,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 GLU  HA     66 ILE  HN      3.00
 &rst iat= 986,1000, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  66 ILE  HN     66 ILE  HB      3.00
 &rst iat=1000,1004, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  66 ILE  MG     68 ALA  HN      4.00
 &rst iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 PRO  QPB    68 ALA  HN      5.08
 &rst iat=  -1,1033, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1026,1027,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  HN     68 ALA  HA      5.00
 &rst iat=1033,1035, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  68 ALA  HN     68 ALA  MB      3.00
 &rst iat=1033,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1037,1038,1039,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  MB     69 GLY  HN      3.70
 &rst iat=  -1,1043, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1037,1038,1039,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  HN    154 VAL  HA      5.59
 &rst iat=1033,2319, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
#  68 ALA  MB    155 LYS  HN      5.34
 &rst iat=  -1,2333, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1=1037,1038,1039,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  69 GLY  HA3    70 ALA  HN      5.00
 &rst iat=1046,1050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 GLY  HA2    70 ALA  HN      5.00
 &rst iat=1045,1050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  69 GLY  HN     70 ALA  HN      4.00
 &rst iat=1043,1050, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  69 GLY  HN    154 VAL  MG1     5.07
 &rst iat=1043,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  70 ALA  HN     70 ALA  MB      3.00
 &rst iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1054,1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  70 ALA  HA     71 THR  HN      3.00
 &rst iat=1052,1060, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  70 ALA  MB     71 THR  HN      3.70
 &rst iat=  -1,1060, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1054,1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  70 ALA  HN    129 PRO  QPG     5.00
 &rst iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 THR  HN     71 THR  HB      3.70
 &rst iat=1060,1064, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  71 THR  HA     72 VAL  HN      3.00
 &rst iat=1062,1074, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  71 THR  HB     72 VAL  HN      5.00
 &rst iat=1064,1074, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  71 THR  MG     72 VAL  HN      4.00
 &rst iat=  -1,1074, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1066,1067,1068,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HN     72 VAL  HB      3.70
 &rst iat=1074,1078, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  72 VAL  HN     72 VAL  MG1     4.00
 &rst iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HN     72 VAL  MG2     4.00
 &rst iat=1074,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HA     73 ASP  HN      3.00
 &rst iat=1076,1090, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  72 VAL  MG1    73 ASP  HN      4.00
 &rst iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HN    127 TRP  HN      5.00
 &rst iat=1074,1907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  72 VAL  HN    128 HISP HA      5.00
 &rst iat=1074,1933, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  73 ASP  HN     73 ASP  HB3     3.70
 &rst iat=1090,1095, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  73 ASP  HA     74 VAL  HN      3.70
 &rst iat=1092,1103, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  74 VAL  HN     74 VAL  HB      3.70
 &rst iat=1103,1107, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  74 VAL  HN     74 VAL  MG2     4.00
 &rst iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 VAL  HA     75 THR  HN      3.70
 &rst iat=1105,1119, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  74 VAL  MG1    75 THR  HN      4.00
 &rst iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1109,1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 VAL  MG2    75 THR  HN      5.00
 &rst iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 VAL  HN     73 ASP  HB3     5.00
 &rst iat=1103,1095, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 VAL  HB    125 PHE  HN      5.00
 &rst iat=1107,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  74 VAL  HN    126 THR  HA      5.00
 &rst iat=1103,1895, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  75 THR  HN     75 THR  HB      3.70
 &rst iat=1119,1123, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  75 THR  HA     76 PHE  HN      3.70
 &rst iat=1121,1133, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  75 THR  MG     76 PHE  HN      4.00
 &rst iat=  -1,1133, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1125,1126,1127,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 THR  HA    125 PHE  HN      5.00
 &rst iat=1121,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 PHE  HN     76 PHE  HB2     5.00
 &rst iat=1133,1137, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 PHE  HN     76 PHE  HB3     5.00
 &rst iat=1133,1138, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 PHE  HA     77 ILE  HN      3.70
 &rst iat=1135,1153, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  76 PHE  HN    124 ASP  HA      5.39
 &rst iat=1133,1862, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  77 ILE  HN     77 ILE  MD      4.00
 &rst iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 ILE  HN     77 ILE  QPG     4.00
 &rst iat=1153,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 ILE  HA     78 ASN  HN      5.00
 &rst iat=1155,1172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ILE  HB     78 ASN  HN      5.00
 &rst iat=1157,1172, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 ILE  MG     78 ASN  HN      4.00
 &rst iat=  -1,1172, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1159,1160,1161,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  87 PHE  HB2   109 THR  HN      5.00
 &rst iat=1303,1638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 ASN  HND2   78 ASN  HB3     5.23
 &rst iat=1182,1177, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  78 ASN  HN     78 ASN  HB2     5.00
 &rst iat=1172,1176, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 ASN  HN     78 ASN  HB3     3.70
 &rst iat=1172,1177, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  78 ASN  HA     79 THR  HN      3.70
 &rst iat=1174,1186, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  78 ASN  HND1   84 GLY  HA3     5.00
 &rst iat=1181,1266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  78 ASN  HND2   84 GLY  HA3     5.05
 &rst iat=1182,1266, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  78 ASN  HND1   85 HISP HN      5.08
 &rst iat=1181,1270, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#  78 ASN  HN    122 TYR  HA      5.35
 &rst iat=1172,1827, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  79 THR  HN     79 THR  MG      5.00
 &rst iat=1186,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1192,1193,1194,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  79 THR  HN     80 ASN  HN      4.00
 &rst iat=1186,1200, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  80 ASN  HND1   80 ASN  HA      5.00
 &rst iat=1209,1202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80 ASN  HND2   80 ASN  HA      5.00
 &rst iat=1210,1202, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80 ASN  HN     80 ASN  HB2     3.70
 &rst iat=1200,1204, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  80 ASN  HN     80 ASN  HB3     3.70
 &rst iat=1200,1205, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  80 ASN  HA     81 LYS  HN      3.70
 &rst iat=1202,1214, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  80 ASN  HND1   81 LYS  HN      5.00
 &rst iat=1209,1214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  80 ASN  HND2   81 LYS  HN      6.01
 &rst iat=1210,1214, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#  81 LYS  HN     81 LYS  QPB     5.00
 &rst iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1218,1219,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 LYS  HA     82 GLY  HN      3.70
 &rst iat=1216,1236, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  81 LYS  QPB    82 GLY  HN      5.00
 &rst iat=  -1,1236, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1218,1219,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  82 GLY  HA3    83 PHE  HN      5.00
 &rst iat=1239,1243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 GLY  HN     83 PHE  HN      5.00
 &rst iat=1236,1243, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 PHE  HN     83 PHE  HB2     5.00
 &rst iat=1243,1247, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 PHE  HN     83 PHE  HB3     5.00
 &rst iat=1243,1248, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 PHE  HA     84 GLY  HN      5.00
 &rst iat=1245,1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  83 PHE  HB3    84 GLY  HN      5.00
 &rst iat=1248,1263, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 GLY  HA3    85 HISP HN      5.00
 &rst iat=1266,1270, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 GLY  HA2    85 HISP HN      5.00
 &rst iat=1265,1270, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  84 GLY  HN    114 VAL  MG2     4.00
 &rst iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  85 HISP HN     85 HISP HB2     5.00
 &rst iat=1270,1274, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 HISP HN     85 HISP HB3     3.70
 &rst iat=1270,1275, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  85 HISP HN     85 HISP HD      4.00
 &rst iat=1270,1284, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  85 HISP HA     86 SER  HN      5.00
 &rst iat=1272,1288, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 HISP HB2    86 SER  HN      5.00
 &rst iat=1274,1288, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 HISP HN     85 HISP HE      5.00
 &rst iat=1270,1280, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  85 HISP HN    140 ILE  MD      4.00
 &rst iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  86 SER  HA     87 PHE  HN      5.00
 &rst iat=1290,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 SER  HB2    87 PHE  HN      5.00
 &rst iat=1292,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  86 SER  HB3    87 PHE  HN      5.00
 &rst iat=1293,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  87 PHE  HN     87 PHE  HB2     5.00
 &rst iat=1299,1303, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  87 PHE  HN     87 PHE  HB3     5.00
 &rst iat=1299,1304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  87 PHE  HA     88 ASP  HN      3.70
 &rst iat=1301,1319, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  87 PHE  HN    109 THR  OG1     4.00
 &rst iat=1299,1648, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  87 PHE  HN    109 THR  HN      5.93
 &rst iat=1299,1638, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
#  87 PHE  HN    109 THR  MG      4.00
 &rst iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HN     88 ASP  HB2     3.70
 &rst iat=1319,1323, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  88 ASP  HN     88 ASP  HB3     3.70
 &rst iat=1319,1324, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  88 ASP  HA     89 ILE  HN      3.70
 &rst iat=1321,1332, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  88 ASP  HB3    89 ILE  HN      3.70
 &rst iat=1324,1332, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  88 ASP  HA    109 THR  HN      5.33
 &rst iat=1321,1638, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  88 ASP  HN    137 VAL  HN      4.00
 &rst iat=1319,2071, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  88 ASP  HN    137 VAL  MG2     5.10
 &rst iat=1319,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HN     89 ILE  HB      3.70
 &rst iat=1332,1336, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  89 ILE  HN     89 ILE  MG      4.00
 &rst iat=1332,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HA     90 THR  HN      3.70
 &rst iat=1334,1351, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  89 ILE  MG     90 THR  HN      4.00
 &rst iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HN    107 ALA  HN      4.00
 &rst iat=1332,1621, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  89 ILE  MG    135 TYR  HN      5.00
 &rst iat=  -1,2029, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HN     90 THR  HB      5.00
 &rst iat=1351,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90 THR  HN     90 THR  MG      4.00
 &rst iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HA     91 LYS  HN      3.70
 &rst iat=1353,1365, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  90 THR  HB     91 LYS  HN      5.00
 &rst iat=1355,1365, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90 THR  HN    136 TYR  HA      5.00
 &rst iat=1351,2052, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90 THR  HN    137 VAL  MG2     6.15
 &rst iat=1351,  -1, r1= 1.30, r2= 1.80, r3= 6.90, r4= 7.40,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  HN     91 LYS  HB3     3.00
 &rst iat=1365,1370, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  91 LYS  HN     91 LYS  QPG     5.00
 &rst iat=1365,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1372,1373,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  HN     92 LYS  HN      4.00
 &rst iat=1365,1387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
##  91 LYS  QPG    93 GLY  HN      5.14 3/25/96.
## &rst iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
## igr1=1372,1373,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  92 LYS  HN     91 LYS  HB2     5.00
 &rst iat=1387,1369, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92 LYS  HN     92 LYS  QPG     5.00
 &rst iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1394,1395,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  92 LYS  HA     93 GLY  HN      3.00 3/25/96.
## &rst iat=1389,1409, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  92 LYS  QPB    93 GLY  HN      5.00
 &rst iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1391,1392,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  93 GLY  HN     93 GLY  HA2     3.70
 &rst iat=1409,1411, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  94 PRO  HA     96 TYR  HN      3.70
 &rst iat=1426,1444, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  95 CPRO HA     96 TYR  HN      3.70
 &rst iat=1440,1444, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  95 CPRO QPB    96 TYR  HN      5.00
 &rst iat=  -1,1444, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1437,1438,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HN     96 TYR  HB2     3.00
 &rst iat=1444,1448, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  96 TYR  HN     96 TYR  HB3     5.00
 &rst iat=1444,1449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  96 TYR  HN     96 TYR  CG      5.00
 &rst iat=1444,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HA     97 ALA  HN      3.00
 &rst iat=1446,1465, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  96 TYR  HB2    97 ALA  HN      3.70
 &rst iat=1448,1465, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  96 TYR  HB3    97 ALA  HN      5.00
 &rst iat=1449,1465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  96 TYR  CG     97 ALA  HN      6.20
 &rst iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HN     97 ALA  HN      5.00
 &rst iat=1444,1465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  97 ALA  HN     97 ALA  MB      3.00
 &rst iat=1465,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1469,1470,1471,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  97 ALA  HA     98 VAL  HN      3.70
 &rst iat=1467,1475, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  97 ALA  MB     98 VAL  HN      3.70
 &rst iat=  -1,1475, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1469,1470,1471,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  97 ALA  MB     99 MET  HN      3.70
 &rst iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1469,1470,1471,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HN     98 VAL  HB      3.00
 &rst iat=1475,1479, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  98 VAL  HN     98 VAL  MG2     5.00
 &rst iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HN     99 MET  HN      4.00
 &rst iat=1475,1491, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  98 VAL  MG2    99 MET  HN      5.00
 &rst iat=  -1,1491, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HN    145 ALA  MB      5.23
 &rst iat=1475,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HN     99 MET  QPB     5.00
 &rst iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1495,1496,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HN     99 MET  ME      5.00
 &rst iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1504,1505,1506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HN     99 MET  QPG     5.00
 &rst iat=1491,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1498,1498,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  HA    101 VAL  HN      3.00
 &rst iat=1520,1524, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 101 VAL  HN    101 VAL  HB      3.00
 &rst iat=1524,1528, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 101 VAL  HN    101 VAL  MG1     4.00
 &rst iat=1524,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1530,1531,1532,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 101 VAL  HN    101 VAL  MG2     4.00
 &rst iat=1524,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1534,1535,1536,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 101 VAL  HA    102 ILE  HN      3.70
 &rst iat=1526,1540, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 101 VAL  HN    102 ILE  HN      5.00
 &rst iat=1524,1540, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 101 VAL  HA    103 ASP  HN      5.00
 &rst iat=1526,1559, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 102 ILE  HN    102 ILE  QPG     4.00
 &rst iat=1540,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1550,1551,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  HB    103 ASP  HN      3.70
 &rst iat=1544,1559, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 102 ILE  HN    103 ASP  HN      4.00
 &rst iat=1540,1559, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 102 ILE  QPG   103 ASP  HN      5.00
 &rst iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1550,1551,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 103 ASP  HN    103 ASP  HB2     3.70
 &rst iat=1559,1563, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 103 ASP  HN    103 ASP  HB3     3.70
 &rst iat=1559,1564, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 104 PRO  HA    105 ILE  HN      3.70
 &rst iat=1582,1586, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 104 PRO  QPB   105 ILE  HN      5.21
 &rst iat=  -1,1586, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1=1579,1580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 104 PRO  QPB   105 ILE  HN      5.00
 &rst iat=  -1,1586, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1579,1580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 105 ILE  HN    105 ILE  HB      3.00 3/25/96.
## &rst iat=1586,1590, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 105 ILE  HN    105 ILE  QPG     5.00
 &rst iat=1586,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1596,1597,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  HN    105 ILE  MG      4.00
 &rst iat=1586,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  HA    106 VAL  HN      3.00
 &rst iat=1588,1605, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 105 ILE  HB    106 VAL  HN      5.00
 &rst iat=1590,1605, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 105 ILE  MG    106 VAL  HN      4.00
 &rst iat=  -1,1605, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 106 VAL  HN    106 VAL  HB      3.70
 &rst iat=1605,1609, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 106 VAL  HN    106 VAL  MG1     4.00
 &rst iat=1605,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1611,1612,1613,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 106 VAL  HA    107 ALA  HN      5.00
 &rst iat=1607,1621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 106 VAL  HB    107 ALA  HN      3.70
 &rst iat=1609,1621, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 106 VAL  HN    107 ALA  HN      4.00
 &rst iat=1605,1621, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 106 VAL  MG1   107 ALA  HN      4.00
 &rst iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1611,1612,1613,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  HN    107 ALA  MB      3.70
 &rst iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  HA    108 GLY  HN      3.70
 &rst iat=1623,1631, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 107 ALA  HN    108 GLY  HN      5.00
 &rst iat=1621,1631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 ALA  MB    108 GLY  HN      3.70
 &rst iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 107 ALA  HN    105 ILE  MD      4.00 3/25/96.
## &rst iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 108 GLY  HA2   109 THR  HN      5.00
 &rst iat=1633,1638, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 109 THR  HN    109 THR  MG      4.00
 &rst iat=1638,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 109 THR  HA    110 GLY  HN      5.00
 &rst iat=1640,1652, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 GLY  HA3   111 PHE  HN      5.00
 &rst iat=1655,1659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 110 GLY  HA2   111 PHE  HN      5.00
 &rst iat=1654,1659, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 PHE  HN    111 PHE  HB2     3.70
 &rst iat=1659,1663, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 111 PHE  HN    111 PHE  HB3     5.00
 &rst iat=1659,1664, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 PHE  HA    112 SER  HN      3.70
 &rst iat=1661,1679, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 111 PHE  HB3   112 SER  HN      5.00
 &rst iat=1664,1679, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 112 SER  HN    112 SER  HB3     5.00
 &rst iat=1679,1684, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 112 SER  HN    112 SER  OG      5.00
 &rst iat=1679,1686, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 113 PRO  HA    114 VAL  HN      3.70
 &rst iat=1700,1704, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 113 PRO  QPB   114 VAL  HN      5.00
 &rst iat=  -1,1704, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1697,1698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  HN    114 VAL  MG2     3.00
 &rst iat=1704,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  HA    116 LYS  HN      3.70
 &rst iat=1730,1734, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 116 LYS  HN    116 LYS  HB2     3.70
 &rst iat=1734,1738, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 116 LYS  HN    116 LYS  HB3     5.00
 &rst iat=1734,1739, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 116 LYS  HA    117 ASP  HN      3.00
 &rst iat=1736,1756, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 116 LYS  HB2   117 ASP  HN      3.70
 &rst iat=1738,1756, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 116 LYS  HB3   117 ASP  HN      5.00
 &rst iat=1739,1756, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 116 LYS  HN    117 ASP  HN      5.33
 &rst iat=1734,1756, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 116 LYS  HN    119 LYS  HN      5.00
 &rst iat=1734,1776, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 117 ASP  HN    117 ASP  QPB     5.24
 &rst iat=1756,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1760,1761,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 117 ASP  HA    118 GLY  HN      5.00
 &rst iat=1758,1769, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 117 ASP  HN    118 GLY  HN      5.00
 &rst iat=1756,1769, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 118 GLY  HN    119 LYS  HN      5.00
 &rst iat=1769,1776, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 119 LYS  HN    119 LYS  HB2     3.70
 &rst iat=1776,1780, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 119 LYS  HN    119 LYS  HB3     5.00
 &rst iat=1776,1781, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 119 LYS  HN    119 LYS  QPG     5.90
 &rst iat=1776,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1783,1784,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 119 LYS  HA    120 PHE  HN      5.00
 &rst iat=1778,1798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 119 LYS  HB2   120 PHE  HN      5.00
 &rst iat=1780,1798, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 119 LYS  HB3   120 PHE  HN      3.70
 &rst iat=1781,1798, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 119 LYS  QPG   120 PHE  HN      5.00
 &rst iat=  -1,1798, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1783,1784,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 120 PHE  HN    120 PHE  HB2     5.00
 &rst iat=1798,1802, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 120 PHE  HN    120 PHE  HB3     5.00
 &rst iat=1798,1803, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 120 PHE  HN    120 PHE  CG      5.11
 &rst iat=1798,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 122 TYR  HA    123 THR  HN      3.70
 &rst iat=1827,1846, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 123 THR  HN    123 THR  MG      4.00
 &rst iat=1846,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 123 THR  HA    124 ASP  HN      3.70
 &rst iat=1848,1860, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 124 ASP  HN    124 ASP  HB2     3.70
 &rst iat=1860,1864, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 124 ASP  HN    124 ASP  HB3     5.00
 &rst iat=1860,1865, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 124 ASP  HA    125 PHE  HN      3.70
 &rst iat=1862,1873, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 124 ASP  HB3   125 PHE  HN      5.00
 &rst iat=1865,1873, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 125 PHE  HN    125 PHE  CG      5.00
 &rst iat=1873,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 125 PHE  HA    126 THR  HN      3.70
 &rst iat=1875,1893, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 125 PHE  HB3   126 THR  HN      3.70
 &rst iat=1878,1893, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 126 THR  HN    126 THR  HB      3.70
 &rst iat=1893,1897, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 126 THR  HN    126 THR  MG      5.00
 &rst iat=1893,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 126 THR  HA    127 TRP  HN      3.00
 &rst iat=1895,1907, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 126 THR  HB    127 TRP  HN      5.00
 &rst iat=1897,1907, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 126 THR  MG    127 TRP  HN      4.00
 &rst iat=  -1,1907, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HN    127 TRP  HB2     5.00
 &rst iat=1907,1911, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 127 TRP  HN    127 TRP  HB3     3.70
 &rst iat=1907,1912, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 127 TRP  HA    128 HISP HN      3.00
 &rst iat=1909,1931, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 127 TRP  HE    129 PRO  HA      5.00
 &rst iat=1926,1959, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 127 TRP  HE     89 ILE  HB      5.00
 &rst iat=1926,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 128 HISP HN    128 HISP QPB     5.00
 &rst iat=1931,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1935,1936,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  HA    130 THR  HN      3.70
 &rst iat=1959,1963, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 129 PRO  QPB   130 THR  HN      5.39
 &rst iat=  -1,1963, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPG   130 THR  HN      5.00
 &rst iat=  -1,1963, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 130 THR  HN    130 THR  MG      4.00
 &rst iat=1963,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1969,1970,1971,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 130 THR  HA    131 ALA  HN      3.00
 &rst iat=1965,1977, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 130 THR  MG    131 ALA  HN      4.00
 &rst iat=  -1,1977, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1969,1970,1971,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  HA    132 GLY  HN      5.00
 &rst iat=2335,1987, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 131 ALA  HN    131 ALA  HA      5.00
 &rst iat=1977,1979, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 131 ALA  HN    131 ALA  MB      3.00
 &rst iat=1977,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  HA    132 GLY  HN      3.00
 &rst iat=1979,1987, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 131 ALA  MB    132 GLY  HN      3.70
 &rst iat=  -1,1987, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  HN    154 VAL  MG1     5.04
 &rst iat=1977,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 132 GLY  HA3   133 THR  HN      3.70
 &rst iat=1990,1994, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 132 GLY  HA2   133 THR  HN      3.70
 &rst iat=1989,1994, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 132 GLY  HA2   154 VAL  HN      5.69
 &rst iat=1989,2317, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
# 132 GLY  HN    154 VAL  HB      3.70
 &rst iat=1987,2321, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 132 GLY  HN    154 VAL  MG1     5.00
 &rst iat=1987,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 132 GLY  HN    154 VAL  MG2     5.78
 &rst iat=1987,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  HN    133 THR  MG      5.00
 &rst iat=1994,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2000,2001,2002,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  HA    134 TYR  HN      3.70
 &rst iat=1996,2008, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 133 THR  MG    134 TYR  HN      4.00
 &rst iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=2000,2001,2002,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  HA    154 VAL  HN      5.05
 &rst iat=1996,2317, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
# 134 TYR  HN    134 TYR  HB2     5.00
 &rst iat=2008,2012, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 TYR  HN    134 TYR  CG      5.00
 &rst iat=2008,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  HA    135 TYR  HN      5.00
 &rst iat=2010,2029, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 TYR  HB2   135 TYR  HN      5.00
 &rst iat=2012,2029, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 TYR  HB3   135 TYR  HN      3.70
 &rst iat=2013,2029, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 134 TYR  HN    152 ILE  HB      5.00
 &rst iat=2008,2286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 134 TYR  HN    152 ILE  HN      5.99
 &rst iat=2008,2282, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,  &end
#
# 135 TYR  HN    135 TYR  HB2     5.00
 &rst iat=2029,2033, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 135 TYR  HA    136 TYR  HN      3.70
 &rst iat=2031,2050, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 135 TYR  HB2   136 TYR  HN      5.16
 &rst iat=2033,2050, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 135 TYR  HB3   136 TYR  HN      5.00
 &rst iat=2034,2050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TYR  HN    136 TYR  HB3     5.00
 &rst iat=2050,2055, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TYR  HA    137 VAL  HN      3.70
 &rst iat=2052,2071, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 136 TYR  HB2   137 VAL  HN      5.00
 &rst iat=2054,2071, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 136 TYR  HN    150 GLY  HN      4.00
 &rst iat=2050,2253, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 137 VAL  HN    137 VAL  HB      5.00
 &rst iat=2071,2075, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 137 VAL  HN    137 VAL  MG2     4.00
 &rst iat=2071,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HA    138 CYS  HN      3.70
 &rst iat=2073,2087, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 137 VAL  HB    138 CYS  HN      3.70
 &rst iat=2075,2087, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 137 VAL  MG2   138 CYS  HN      4.00
 &rst iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 138 CYS  HN    138 CYS  HB2     3.70
 &rst iat=2087,2091, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 138 CYS  HN    138 CYS  HB3     5.00
 &rst iat=2087,2092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 CYS  HA    139 GLN  HN      3.70
 &rst iat=2089,2099, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 139 GLN  HNE1  139 GLN  HB3     6.97
 &rst iat=2111,2104, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,  &end
#
# 139 GLN  HNE2  139 GLN  HB3     5.84
 &rst iat=2112,2104, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
# 139 GLN  HN    139 GLN  HB2     3.70
 &rst iat=2099,2103, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 139 GLN  HN    139 GLN  HB3     3.70
 &rst iat=2099,2104, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 139 GLN  HB2   140 ILE  HN      5.00
 &rst iat=2103,2116, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 139 GLN  HNE1  105 ILE  MD      5.16
 &rst iat=2111,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 139 GLN  HN    140 ILE  HN      4.00
 &rst iat=2099,2116, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 140 ILE  HN    140 ILE  QPG     4.00
 &rst iat=2116,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2126,2127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  HN    140 ILE  MG      5.00
 &rst iat=2116,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 143 HISP HN    143 HISP HB2     3.70
 &rst iat=2156,2160, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 143 HISP HN    143 HISP HB3     5.00
 &rst iat=2156,2161, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 143 HISP HN    143 HISP HD      4.00
 &rst iat=2156,2169, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 143 HISP HB2   144 ALA  HN      5.13
 &rst iat=2160,2173, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
# 143 HISP HN    144 ALA  HN      5.00
 &rst iat=2156,2173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 144 ALA  HN    144 ALA  MB      3.70
 &rst iat=2173,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 144 ALA  HN    145 ALA  HN      4.00
 &rst iat=2173,2183, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 145 ALA  HN    145 ALA  MB      3.00
 &rst iat=2183,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 145 ALA  HN    146 THR  HN      4.00
 &rst iat=2183,2193, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 146 THR  HN    146 THR  HB      5.00
 &rst iat=2193,2197, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 146 THR  HN    146 THR  MG      4.00
 &rst iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2199,2200,2201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 146 THR  HN    147 GLY  HN      4.00
 &rst iat=2193,2207, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 146 THR  HN    148 MET  HN      5.00
 &rst iat=2193,2214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 147 GLY  HN    148 MET  HN      4.00
 &rst iat=2207,2214, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 148 MET  HN    148 MET  HB3     3.70
 &rst iat=2214,2219, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 148 MET  HA    149 PHE  HN      3.70
 &rst iat=2216,2233, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 149 PHE  HN    149 PHE  HB3     5.00
 &rst iat=2233,2238, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 149 PHE  HN    149 PHE  CG      5.00
 &rst iat=2233,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2241,2249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 149 PHE  HA    150 GLY  HN      5.00
 &rst iat=2235,2253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 149 PHE  HB3   150 GLY  HN      5.00
 &rst iat=2238,2253, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 149 PHE  CG    150 GLY  HN      6.36
 &rst iat=  -1,2253, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=2241,2249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 150 GLY  HA3   151 LYS  HN      3.70
 &rst iat=2256,2260, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 150 GLY  HA2   151 LYS  HN      3.70
 &rst iat=2255,2260, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 151 LYS  HN    151 LYS  HB2     3.70
 &rst iat=2260,2264, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 151 LYS  HN    151 LYS  HB3     3.70
 &rst iat=2260,2265, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 151 LYS  HN    151 LYS  QPG     5.00
 &rst iat=2260,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2267,2268,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  QPG   152 ILE  HN      5.00
 &rst iat=  -1,2282, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=2267,2268,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  HN    152 ILE  MG      4.00
 &rst iat=2282,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  HA    153 VAL  HN      3.70
 &rst iat=2284,2301, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 153 VAL  HN    153 VAL  HB      3.70
 &rst iat=2301,2305, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 153 VAL  HN    153 VAL  MG2     4.00
 &rst iat=2301,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 153 VAL  HA    154 VAL  HN      5.00
 &rst iat=2303,2317, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 153 VAL  MG2   154 VAL  HN      4.50  (## loosened from 4A 2/9/96.)
 &rst iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  HN    154 VAL  HB      3.70
 &rst iat=2317,2321, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 154 VAL  HN    154 VAL  MG1     7.61
 &rst iat=2317,  -1, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  HN    154 VAL  MG2     4.00
 &rst iat=2317,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  HA    155 LYS  HN      3.00
 &rst iat=2319,2333, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 154 VAL  HN    155 LYS  HN      5.54
 &rst iat=2317,2333, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,  &end
#
# 155 LYS  HN    155 LYS  QPB     5.00
 &rst iat=2333,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2337,2338,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  HN    155 LYS  QPG     5.00
 &rst iat=2333,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2340,2341,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   2 THR  HA        2 THR  MG     5.50
 &rst iat=  11,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  15,  16,  17,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   2 THR  HB        2 THR  HA     3.50
 &rst iat=  13,  11, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   2 THR  HB        2 THR  MG     4.50
 &rst iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  15,  16,  17,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   2 THR  HB        5 THR  MG     5.50
 &rst iat=  13,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  61,  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HA        3 LEU  HB3    3.50
 &rst iat=  25,  28, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   3 LEU  HA        3 LEU  MD1    5.50
 &rst iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HA        3 LEU  MD2    5.50
 &rst iat=  25,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  36,  37,  38,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HB2       3 LEU  HA     4.50
 &rst iat=  27,  25, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   3 LEU  HG        3 LEU  HB3    3.50
 &rst iat=  30,  28, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   3 LEU  HG        3 LEU  MD2    5.50
 &rst iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  36,  37,  38,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  MD1       3 LEU  HB2    4.50
 &rst iat=  -1,  27, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  MD1       3 LEU  HB3    5.50
 &rst iat=  -1,  28, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  MD2       3 LEU  HB2    5.50
 &rst iat=  -1,  27, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  36,  37,  38,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  MD2       3 LEU  HB3    5.50
 &rst iat=  -1,  28, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  36,  37,  38,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HG      107 ALA  HA     5.50
 &rst iat=  30,1623, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   3 LEU  MD1     107 ALA  HA     5.82
 &rst iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HB3     109 THR  HA     4.50
 &rst iat=  28,1640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   3 LEU  MD1     109 THR  HA     5.63
 &rst iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   3 LEU  HB2     110 GLY  HA3    4.50
 &rst iat=  27,1655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   3 LEU  HB3     110 GLY  HA3    3.50
 &rst iat=  28,1655, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   3 LEU  MD1     110 GLY  HA3    5.59
 &rst iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=  32,  33,  34,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 ASP  HA        4 ASP  QPB    5.50
 &rst iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  46,  47,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 ASP  HA      109 THR  HA     4.50
 &rst iat=  44,1640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   4 ASP  HA      109 THR  MG     5.50
 &rst iat=  44,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   4 ASP  QPB     109 THR  HA     5.50
 &rst iat=  -1,1640, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=  46,  47,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 THR  HA        5 THR  MG     5.50
 &rst iat=  57,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  61,  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   5 THR  HB        5 THR  MG     5.50
 &rst iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  61,  62,  63,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  HA        6 THR  MG     5.50
 &rst iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  HB        6 THR  HA     3.50
 &rst iat=  73,  71, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   6 THR  HB        6 THR  MG     4.50
 &rst iat=  73,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  MG      124 ASP  HB2    4.50
 &rst iat=  -1,1864, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  MG      124 ASP  HB3    5.50
 &rst iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   6 THR  HB      125 PHE  HA     3.50
 &rst iat=  73,1875, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   6 THR  MG      125 PHE  HB3    5.50
 &rst iat=  -1,1878, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=  75,  76,  77,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 TRP  HA        7 TRP  HB3    4.50
 &rst iat=  85,  88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   7 TRP  HA        7 TRP  HE     5.50
 &rst iat=  85, 102, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
##   7 TRP  HD      109 THR  HB     4.50 3/25/96.
## &rst iat=  91,1642, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   7 TRP  HZ2     109 THR  MG     5.50
 &rst iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 TRP  HB2     113 PRO  QPD    4.50
 &rst iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   7 TRP  HA      123 THR  HA     4.50
 &rst iat=  85,1848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   7 TRP  HA      123 THR  HB     4.50
 &rst iat=  85,1850, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   7 TRP  HA      123 THR  MG     5.68
 &rst iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##   7 TRP  HE      123 THR  MG     5.59 3/25/96.
## &rst iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 LYS  HA        8 LYS  HB2    4.50
 &rst iat= 109, 111, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   8 LYS  HA        8 LYS  HB3    3.50
 &rst iat= 109, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   8 LYS  HA        8 LYS  QPE    5.50
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 120, 121,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 LYS  HA        8 LYS  QPG    4.50
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 114, 115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 LYS  HB3       8 LYS  QPE    4.50
 &rst iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 120, 121,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   8 LYS  HA      113 PRO  QPG    4.50
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1694,1695,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  HA        9 GLU  QPB    5.50
 &rst iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 133, 134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  HA       10 ALA  HN     4.20
 &rst iat= 131, 145, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   9 GLU  QPG     119 LYS  QPD    5.71
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 136, 137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1786,1787,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  QPB     120 PHE  HB2    4.50
 &rst iat=  -1,1802, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 133, 134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   9 GLU  QPB     120 PHE  HB3    5.00  (## loosened from 4.5A 2/9/96.)
 &rst iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 133, 134,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HA       10 ALA  MB     3.50
 &rst iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB       14 GLN  HA     4.50  (## loosened from 3.5A 2/9/96.)
 &rst iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB       14 GLN  HB3    3.50
 &rst iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB       14 GLN  QPG    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 209, 210,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB      120 PHE  HB2    3.50
 &rst iat=  -1,1802, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB      120 PHE  HB3    3.50
 &rst iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  HA      122 TYR  CZ     6.78
 &rst iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB      122 TYR  CG     5.75
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1833,1842,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  10 ALA  MB      122 TYR  CZ     5.59
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 THR  HA       11 THR  MG     5.50
 &rst iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 161, 162, 163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 THR  HB       11 THR  HA     4.50
 &rst iat= 159, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  11 THR  HB       11 THR  MG     5.50
 &rst iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 161, 162, 163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 THR  HB       13 PRO  QPD    5.50
 &rst iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  11 THR  HB      118 GLY  HA3    4.50
 &rst iat= 159,1772, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  11 THR  HA      119 LYS  HA     4.50
 &rst iat= 157,1778, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  11 THR  HA      119 LYS  HB3    4.50
 &rst iat= 157,1781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  11 THR  HB      119 LYS  HA     3.50
 &rst iat= 159,1778, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  12 LEU  HA       12 LEU  QQD    6.04
 &rst iat= 171, 175, r1= 1.30, r2= 1.80, r3= 8.24, r4= 8.74,  &end
#
#  12 LEU  HB2      12 LEU  HG     4.50
 &rst iat= 173, 176, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  12 LEU  HB3      12 LEU  HA     4.50
 &rst iat= 174, 171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  12 LEU  QQD      12 LEU  HA     5.50
 &rst iat= 175, 171, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  12 LEU  QQD      12 LEU  HB2    5.54
 &rst iat= 175, 173, r1= 1.30, r2= 1.80, r3= 7.74, r4= 8.24,  &end
#
#  12 LEU  QQD      12 LEU  HB3    5.50
 &rst iat= 175, 174, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  12 LEU  QQD      12 LEU  HG     5.50
 &rst iat= 175, 176, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  12 LEU  QQD      12 LEU  HB2    5.50
 &rst iat= 175, 173, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  12 LEU  QQD      12 LEU  HB3    5.50
 &rst iat= 175, 174, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  12 LEU  QQD      12 LEU  HG     5.50
 &rst iat= 175, 176, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  12 LEU  HB2      13 PRO  QPD    5.50
 &rst iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  HB3      13 PRO  QPD    5.50
 &rst iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  HG       13 PRO  HA     4.50
 &rst iat= 176, 198, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  12 LEU  QQD      13 PRO  HA     7.07
 &rst iat= 175, 198, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,  &end
#
#  12 LEU  QQD      13 PRO  QPD    7.99
 &rst iat= 175,  -1, r1= 1.30, r2= 1.80, r3=10.79, r4=11.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  HA       15 VAL  MG2    5.50
 &rst iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  QQD      15 VAL  HB     6.18
 &rst iat= 175, 223, r1= 1.30, r2= 1.80, r3= 8.38, r4= 8.88,  &end
#
#  12 LEU  QQD      15 VAL  MG1    7.09
 &rst iat= 175,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  QQD      15 VAL  HB     6.81
 &rst iat= 175, 223, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,  &end
#
#  12 LEU  QQD      16 LYS  QPE    8.24
 &rst iat= 175,  -1, r1= 1.30, r2= 1.80, r3=11.04, r4=11.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 248, 249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  QQD      16 LYS  QPG    7.88
 &rst iat= 175,  -1, r1= 1.30, r2= 1.80, r3=10.67, r4=11.17,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 242, 243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  12 LEU  QQD     117 ASP  HA     7.39
 &rst iat= 175,1758, r1= 1.30, r2= 1.80, r3= 9.59, r4=10.09,  &end
#
#  12 LEU  QQD     120 PHE  HZ     7.31
 &rst iat= 175,1810, r1= 1.30, r2= 1.80, r3= 9.51, r4=10.01,  &end
#
#  13 PRO  HA       13 PRO  QPB    4.50
 &rst iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 195, 196,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 PRO  HA       13 PRO  QPG    5.50
 &rst iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 PRO  QPB      13 PRO  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 195, 196,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 PRO  QPD      13 PRO  HA     5.50
 &rst iat=  -1, 198, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 PRO  QPD      13 PRO  QPB    5.67
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 195, 196,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 PRO  QPD      13 PRO  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 189, 190,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  13 PRO  QPB      16 LYS  QPD    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 195, 196,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 245, 246,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HA       14 GLN  HB2    4.50
 &rst iat= 204, 206, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  14 GLN  HA       14 GLN  HB3    3.50
 &rst iat= 204, 207, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  14 GLN  HA       14 GLN  QPG    4.50
 &rst iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 209, 210,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HA       17 ALA  MB     3.50
 &rst iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HB3      17 ALA  MB     3.50
 &rst iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  QPG      17 ALA  MB     4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 209, 210,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HA       18 MET  ME     4.50
 &rst iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HB2      18 MET  ME     3.50
 &rst iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HB3      18 MET  ME     3.50
 &rst iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  14 GLN  HB2     120 PHE  HB3    4.50
 &rst iat= 206,1803, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 VAL  HA       15 VAL  HB     4.50
 &rst iat= 221, 223, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  15 VAL  HA       15 VAL  MG1    5.50
 &rst iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  HA       15 VAL  MG2    5.50
 &rst iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG1      15 VAL  HB     5.50
 &rst iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG2      15 VAL  HB     5.50
 &rst iat=  -1, 223, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG2      15 VAL  HN     5.98
 &rst iat=  -1, 219, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  HA       18 MET  HB2    4.50
 &rst iat= 221, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  15 VAL  HA       18 MET  HB3    3.50 ## loosened 3/25/96.
 &rst iat= 221, 272, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 VAL  HA       18 MET  ME     3.50
 &rst iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG2      18 MET  ME     4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG1      43 ALA  MB     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  15 VAL  HA       77 ILE  HB     3.50 3/25/96.
## &rst iat= 221,1157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  15 VAL  HA       77 ILE  MD     5.50
 &rst iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  15 VAL  HA      120 PHE  HB3    3.50 3/25/96.
## &rst iat= 221,1803, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  15 VAL  MG2     120 PHE  CG     7.29
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  15 VAL  MG2     120 PHE  HZ     5.85
 &rst iat=  -1,1810, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HA       16 LYS  HB2    3.50
 &rst iat= 237, 239, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 LYS  HA       16 LYS  QPD    4.50
 &rst iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 245, 246,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HB3      16 LYS  HA     3.50
 &rst iat= 240, 237, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  16 LYS  QPE      16 LYS  HB2    4.50
 &rst iat=  -1, 239, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 248, 249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QPE      16 LYS  HB3    4.50
 &rst iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 248, 249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QPE      16 LYS  QPD    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 248, 249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 245, 246,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QPE      16 LYS  QPG    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 248, 249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 242, 243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  QPG      16 LYS  HA     5.50
 &rst iat=  -1, 237, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 242, 243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HA       16 LYS  QPG    4.50
 &rst iat= 237,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 242, 243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  16 LYS  HA       19 LEU  QQD    6.44
 &rst iat= 237, 292, r1= 1.30, r2= 1.80, r3= 8.64, r4= 9.14,  &end
#
#  16 LYS  HA       19 LEU  QQD    6.35
 &rst iat= 237, 292, r1= 1.30, r2= 1.80, r3= 8.55, r4= 9.05,  &end
#
#  17 ALA  HA       17 ALA  MB     3.50
 &rst iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 ALA  MB       18 MET  HN     4.20
 &rst iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 ALA  HA       20 GLU  HB2    4.50
 &rst iat= 259, 309, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  17 ALA  HA       20 GLU  QPG    5.50
 &rst iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  17 ALA  MB       20 GLU  HB3    4.50 3/25/96.
## &rst iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
## igr1= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 ALA  MB       20 GLU  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 261, 262, 263,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HA       18 MET  HB2    4.50
 &rst iat= 269, 271, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  18 MET  HA       18 MET  QPG    5.50
 &rst iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 274, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  ME       18 MET  HA     4.50
 &rst iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  ME       18 MET  HB2    3.50
 &rst iat=  -1, 271, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  ME       18 MET  HB3    3.50
 &rst iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  ME       18 MET  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 274, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  QPG      18 MET  HB3    4.50
 &rst iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 274, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HA       21 LYS  QPD    4.50
 &rst iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 331, 332,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HA       21 LYS  QPG    5.50
 &rst iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 328, 329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HA       41 VAL  MG1    5.50
 &rst iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HB2      41 VAL  MG1    5.50
 &rst iat= 271,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  HB3      41 VAL  MG2    5.50
 &rst iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  ME       41 VAL  MG1    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  18 MET  QPG      41 VAL  MG2    6.51
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,
 igr1= 274, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 LEU  HA       19 LEU  HB2    4.50
 &rst iat= 288, 290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  19 LEU  HA       19 LEU  HB3    4.50
 &rst iat= 288, 291, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  19 LEU  HA       19 LEU  QQD    5.50
 &rst iat= 288, 292, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  19 LEU  HB2      19 LEU  QQD    5.66
 &rst iat= 290, 292, r1= 1.30, r2= 1.80, r3= 7.86, r4= 8.36,  &end
#
#  19 LEU  HB2      19 LEU  QQD    5.63
 &rst iat= 290, 292, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,  &end
#
#  19 LEU  HB3      19 LEU  QQD    5.50
 &rst iat= 291, 292, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  19 LEU  HG       19 LEU  QQD    5.50
 &rst iat= 293, 292, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  19 LEU  HG       19 LEU  QQD    5.50
 &rst iat= 293, 292, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  19 LEU  QQD      19 LEU  HB3    5.50
 &rst iat= 292, 291, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  19 LEU  QQD      19 LEU  HN     6.50
 &rst iat= 292, 286, r1= 1.30, r2= 1.80, r3= 8.70, r4= 9.20,  &end
#
#  19 LEU  QQD      19 LEU  HA     5.98
 &rst iat= 292, 288, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,  &end
#
#  19 LEU  HA       41 VAL  MG1    5.50
 &rst iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 LEU  HA       41 VAL  MG2    5.80
 &rst iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 GLU  HA       20 GLU  HB2    3.50
 &rst iat= 307, 309, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 GLU  HA       20 GLU  HB3    3.50
 &rst iat= 307, 310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  20 GLU  HA       20 GLU  QPG    4.50
 &rst iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 GLU  QPG      20 GLU  HB2    4.50
 &rst iat=  -1, 309, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  20 GLU  HA       21 LYS  HN     5.50
 &rst iat= 307, 321, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  21 LYS  HA       21 LYS  QPB    4.50
 &rst iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 325, 326,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 LYS  HA       21 LYS  QPG    4.50
 &rst iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 328, 329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 LYS  QPG      21 LYS  QPE    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 328, 329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 334, 335,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 LYS  QPE      22 ASP  HN     5.50
 &rst iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 334, 335,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  21 LYS  QPB      41 VAL  MG2    6.08
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 325, 326,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 ASP  HA       22 ASP  QPB    5.50
 &rst iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 347, 348,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 ASP  HA       41 VAL  MG2    5.50
 &rst iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  22 ASP  QPB      41 VAL  MG2    6.35
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.69, r4= 8.19,
 igr1= 347, 348,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  HA       23 THR  MG     5.50
 &rst iat= 358,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  HB       23 THR  HA     4.50
 &rst iat= 360, 358, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  23 THR  HB       23 THR  MG     5.50
 &rst iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  MG       38 VAL  HA     5.50
 &rst iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  MG       39 HISP HB2    5.50
 &rst iat=  -1, 585, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  23 THR  MG       39 HISP HB3    5.50
 &rst iat=  -1, 586, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 362, 363, 364,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLY  HA3      25 LYS  HN     5.50
 &rst iat= 373, 377, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  24 GLY  HA3      31 VAL  MG1    5.50
 &rst iat= 373,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLY  HA2      31 VAL  MG1    5.50
 &rst iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  24 GLY  HA3      33 TYR  HA     4.50
 &rst iat= 373, 492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  24 GLY  HA2      33 TYR  HA     4.50
 &rst iat= 372, 492, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  25 LYS  HA       25 LYS  QPB    4.50
 &rst iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  QPE      25 LYS  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 390, 391,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  QPE      25 LYS  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 390, 391,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 384, 385,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  QPG      25 LYS  HA     4.50
 &rst iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 384, 385,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  QPG      25 LYS  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 384, 385,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  25 LYS  QPB      32 THR  HB     5.50
 &rst iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 381, 382,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HA       26 VAL  HB     3.50
 &rst iat= 401, 403, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  26 VAL  HA       26 VAL  MG1    5.50
 &rst iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 405, 406, 407,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HA       26 VAL  MG2    5.50
 &rst iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 409, 410, 411,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HB       26 VAL  MG1    4.50
 &rst iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 405, 406, 407,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  MG2      26 VAL  HB     4.50
 &rst iat=  -1, 403, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 409, 410, 411,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HA       31 VAL  MG1    5.50
 &rst iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HA       31 VAL  MG2    5.50
 &rst iat= 401,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  HB       31 VAL  MG2    5.50
 &rst iat= 403,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  MG1      31 VAL  HA     5.50
 &rst iat=  -1, 462, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 405, 406, 407,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  MG1      59 LYS  QPE    5.81
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 405, 406, 407,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  26 VAL  MG2      59 LYS  QPG    5.68
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 409, 410, 411,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 SER  QPB      27 SER  HA     4.50
 &rst iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 419, 420,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  27 SER  HA       30 THR  HB     4.50
 &rst iat= 417, 450, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  27 SER  QPB      30 THR  MG     5.67
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1= 419, 420,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 ASP  HA       29 ASP  QPB    5.50
 &rst iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 437, 438,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 ASP  QPB      59 LYS  QPE    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 437, 438,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  29 ASP  HA       62 PRO  QPB    5.50
 &rst iat= 435,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  HA       30 THR  MG     5.50
 &rst iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  HB       30 THR  HA     4.50
 &rst iat= 450, 448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 THR  HB       30 THR  MG     4.50
 &rst iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  HA       31 VAL  HN     4.20
 &rst iat= 448, 460, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  30 THR  MG       31 VAL  HN     5.50
 &rst iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  HA       62 PRO  HA     4.50
 &rst iat= 448, 947, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 THR  HA       62 PRO  QPB    5.50
 &rst iat= 448,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  HA       63 THR  HB     4.50
 &rst iat= 448, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 THR  HB       63 THR  MG     4.50
 &rst iat= 450,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  MG       63 THR  HA     5.50
 &rst iat=  -1, 953, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  30 THR  MG       63 THR  HB     4.50
 &rst iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 452, 453, 454,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HA       31 VAL  MG1    5.50
 &rst iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HA       31 VAL  MG2    5.50
 &rst iat= 462,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG1      31 VAL  HB     5.50
 &rst iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG2      31 VAL  HB     5.50
 &rst iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HA       32 THR  HN     4.20
 &rst iat= 462, 476, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  31 VAL  MG1      56 VAL  MG1    7.08
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.69, r4= 9.19,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 838, 839, 840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG1      57 HISP HD     5.69
 &rst iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG1      57 HISP QPB    5.97
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 852, 853,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG2      57 HISP QPB    5.98
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 852, 853,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG2      58 ASP  HA     5.62
 &rst iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HB       59 LYS  QPE    5.50
 &rst iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HB       59 LYS  QPG    4.50
 &rst iat= 464,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG2      59 LYS  QPB    5.53
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 883, 884,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG2      59 LYS  QPG    5.84
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  HB       64 LEU  QQD    5.97
 &rst iat= 464, 971, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,  &end
#
#  31 VAL  MG1      64 LEU  QQD    7.88
 &rst iat=  -1, 971, r1= 1.30, r2= 1.80, r3=10.89, r4=11.39,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  QQD      64 LEU  HG     5.50
 &rst iat= 971, 972, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  31 VAL  MG2      64 LEU  QQD    7.28
 &rst iat=  -1, 971, r1= 1.30, r2= 1.80, r3=10.27, r4=10.77,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  31 VAL  MG2      31 VAL  HN     5.79  (## changed from E65 HN 2/9/96.)
 &rst iat=  -1, 460, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  HA       32 THR  MG     5.50
 &rst iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  HB       32 THR  HA     4.50
 &rst iat= 480, 478, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  32 THR  HB       32 THR  HN     5.50
 &rst iat= 480, 476, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  32 THR  MG       32 THR  HB     4.50
 &rst iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  HA       33 TYR  HN     4.20
 &rst iat= 478, 490, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  32 THR  HA       65 GLU  HB2    3.50
 &rst iat= 478, 988, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  32 THR  HA       65 GLU  HB3    4.50
 &rst iat= 478, 989, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  32 THR  MG       65 GLU  HA     5.50
 &rst iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  MG       65 GLU  HB2    4.50
 &rst iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  MG       65 GLU  HB3    4.50
 &rst iat=  -1, 989, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  MG       65 GLU  QPG    5.82
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 991, 992,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  32 THR  MG       67 PRO  QPD    5.55
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 482, 483, 484,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  HA       33 TYR  CG     6.01
 &rst iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  HA       33 TYR  QPB    4.50
 &rst iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  HA       38 VAL  MG2    5.50
 &rst iat= 492,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  CG       38 VAL  MG1    8.42
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.21, r4=10.71,
 igr1= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 571, 572, 573,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB      38 VAL  MG1    6.23
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 571, 572, 573,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB      38 VAL  MG2    6.12
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.44, r4= 7.94,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  CG       66 ILE  MD     7.71
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.43, r4= 9.93,
 igr1= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB      66 ILE  HB     5.50
 &rst iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB      66 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB      67 PRO  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1026,1027,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  33 TYR  QPB      67 PRO  QPD    6.07
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 SER  HA       34 SER  QPB    4.50
 &rst iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 SER  HA       67 PRO  QPD    5.50
 &rst iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  34 SER  HA       67 PRO  QPG    4.50
 &rst iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1023,1024,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HA       36 LYS  HB2    3.50
 &rst iat= 531, 533, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  36 LYS  HA       36 LYS  HB3    3.50
 &rst iat= 531, 534, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  36 LYS  HA       36 LYS  QPD    5.50
 &rst iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 539, 540,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HA       36 LYS  QPG    4.50
 &rst iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 537,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  QPE      36 LYS  HB3    4.50
 &rst iat=  -1, 534, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 542, 543,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HA       70 ALA  HA     3.50
 &rst iat= 531,1052, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  36 LYS  HA       70 ALA  MB     3.50
 &rst iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1054,1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HB2      70 ALA  HA     4.50
 &rst iat= 533,1052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
##  36 LYS  HB2      70 ALA  MB     3.50 3/25/96.
## &rst iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1054,1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  HB3      70 ALA  HA     4.50
 &rst iat= 534,1052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  36 LYS  QPD      70 ALA  HA     5.50
 &rst iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 539, 540,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  36 LYS  QPG      70 ALA  HA     5.50
 &rst iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 536, 537,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 THR  HA       37 THR  MG     5.50
 &rst iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 557, 558, 559,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  37 THR  HB       70 ALA  MB     3.50 3/25/96.
## &rst iat= 555,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1054,1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 THR  HA       71 THR  HB     4.50
 &rst iat= 553,1064, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  37 THR  HA       71 THR  MG     5.50
 &rst iat= 553,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1066,1067,1068,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  37 THR  MG       71 THR  HB     5.50
 &rst iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 557, 558, 559,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  HA       38 VAL  HB     3.50
 &rst iat= 567, 569, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  38 VAL  HA       38 VAL  MG2    5.50
 &rst iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  MG1      38 VAL  HA     5.50
 &rst iat=  -1, 567, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 571, 572, 573,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  MG1      38 VAL  HB     4.50
 &rst iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 571, 572, 573,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  MG2      38 VAL  HB     4.50
 &rst iat=  -1, 569, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  HB       66 ILE  MD     5.50
 &rst iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  MG2      67 PRO  QPD    6.04
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  HA       72 VAL  MG1    5.50
 &rst iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  HB       72 VAL  HA     4.50
 &rst iat= 569,1076, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  38 VAL  HB       72 VAL  MG2    5.50
 &rst iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  38 VAL  MG1      72 VAL  HA     5.50
 &rst iat=  -1,1076, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 571, 572, 573,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  39 HISP HA       39 HISP HB2    4.50
 &rst iat= 583, 585, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  39 HISP HA       39 HISP HB3    5.50
 &rst iat= 583, 586, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  39 HISP HA       39 HISP HD     4.50
 &rst iat= 583, 595, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  39 HISP HA       40 VAL  HN     4.20
 &rst iat= 583, 599, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  39 HISP HA       72 VAL  MG1    5.81
 &rst iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  39 HISP HA       74 VAL  MG2    6.44  (## changed from V72 MG2 2/9/96.)
 &rst iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  39 HISP HA       73 ASP  HB2    4.50
 &rst iat= 583,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  39 HISP HA       73 ASP  HB3    4.50
 &rst iat= 583,1095, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  40 VAL  HA       40 VAL  MG1    5.50
 &rst iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 605, 606, 607,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  HA       40 VAL  MG2    5.50
 &rst iat= 601,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 609, 610, 611,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  MG1      40 VAL  HB     5.50
 &rst iat=  -1, 603, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 605, 606, 607,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  MG2      40 VAL  HB     5.50
 &rst iat=  -1, 603, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 609, 610, 611,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  HA       41 VAL  HN     4.20
 &rst iat= 601, 615, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  40 VAL  MG1      64 LEU  QQD    8.79
 &rst iat=  -1, 971, r1= 1.30, r2= 1.80, r3=11.82, r4=12.32,
 igr1= 605, 606, 607,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  HB       74 VAL  HA     4.50
 &rst iat= 603,1105, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  41 VAL  HA       41 VAL  HN     4.20
 &rst iat= 617, 615, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  41 VAL  HA       41 VAL  MG1    5.50
 &rst iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  HA       41 VAL  MG2    5.50
 &rst iat= 617,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  MG1      41 VAL  HB     4.50
 &rst iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  MG2      41 VAL  HB     5.50
 &rst iat=  -1, 619, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 625, 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  41 VAL  HA       75 THR  HB     4.50
 &rst iat= 617,1123, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  42 ALA  HA       42 ALA  MB     4.50
 &rst iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  HA       43 ALA  HN     4.20
 &rst iat= 633, 641, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  42 ALA  MB       43 ALA  HN     5.50
 &rst iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  MB       54 PHE  HB3    4.50
 &rst iat=  -1, 801, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  HA       56 VAL  HA     4.50
 &rst iat= 633, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  42 ALA  HA       56 VAL  MG2    5.50
 &rst iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  43 ALA  HA       43 ALA  MB     4.50
 &rst iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  43 ALA  HA       44 ALA  HN     5.50 4/10/96 duplicate.
## &rst iat= 643, 651, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  43 ALA  MB       77 ILE  HB     3.50
 &rst iat=  -1,1157, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  HA       44 ALA  MB     4.50
 &rst iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB       44 ALA  HN     5.50
 &rst iat=  -1, 651, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  HA       45 VAL  HN     5.50 ## toghtened to 4A 4/10/96.
 &rst iat= 653, 661, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  44 ALA  HA       54 PHE  HA     4.50
 &rst iat= 653, 798, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  44 ALA  MB       78 ASN  HA     4.50
 &rst iat=  -1,1174, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB       80 ASN  HB2    4.50
 &rst iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB       80 ASN  HB3    5.50
 &rst iat=  -1,1205, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  HA       45 VAL  MG1    5.50
 &rst iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  MG1      45 VAL  HB     5.50
 &rst iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  MG2      45 VAL  HA     5.50
 &rst iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  MG2      45 VAL  HB     5.50
 &rst iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  45 VAL  HA       46 LEU  HN     5.50 double 3/25/96.
## &rst iat= 663, 677, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  45 VAL  MG2      51 PHE  HA     5.50
 &rst iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  MG2      52 CPRO HA     5.50
 &rst iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  45 VAL  HB       80 ASN  HB2    4.50
 &rst iat= 665,1204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  46 LEU  HA       46 LEU  HB3    4.50
 &rst iat= 679, 682, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  46 LEU  HA       46 LEU  QQD    5.59
 &rst iat= 679, 683, r1= 1.30, r2= 1.80, r3= 7.79, r4= 8.29,  &end
#
#  46 LEU  HB3      46 LEU  QQD    5.50
 &rst iat= 682, 683, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  46 LEU  QQD      46 LEU  HB2    5.56
 &rst iat= 683, 681, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,  &end
#
#  46 LEU  QQD      46 LEU  HG     5.50
 &rst iat= 683, 684, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  46 LEU  QQD      46 LEU  HB2    5.50
 &rst iat= 683, 681, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  46 LEU  QQD      46 LEU  HB3    5.50
 &rst iat= 683, 682, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  46 LEU  HA       47 PRO  QPD    5.50
 &rst iat= 679,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 697, 698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  46 LEU  HB3      47 PRO  QPD    5.50
 &rst iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 697, 698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  46 LEU  QQD      55 GLU  HB2    6.21
 &rst iat= 683, 820, r1= 1.30, r2= 1.80, r3= 8.41, r4= 8.91,  &end
#
#  44 ALA  MB      148 MET  ME     3.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  47 PRO  HA       47 PRO  QPB    5.50
 &rst iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 703, 704,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  47 PRO  HA       47 PRO  QPG    5.50
 &rst iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 700, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  47 PRO  QPD      47 PRO  QPB    5.54
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 697, 698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 703, 704,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  47 PRO  QPD      47 PRO  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 697, 698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 700, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  49 PHE  HA       49 PHE  HB2    4.50
 &rst iat= 719, 721, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  49 PHE  HA       49 PHE  HB3    4.50
 &rst iat= 719, 722, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  49 PHE  HA       49 PHE  CG     5.50
 &rst iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 725, 733,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  49 PHE  HA       50 PRO  QPB    5.50
 &rst iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 744, 745,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  49 PHE  HA       50 PRO  QPD    5.50
 &rst iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 738, 739,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 PRO  HA       50 PRO  QPB    4.50
 &rst iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 744, 745,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 PRO  HA       50 PRO  QPG    5.50
 &rst iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 741, 742,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  50 PRO  QPD      50 PRO  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 738, 739,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 741, 742,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  51 PHE  HA       51 PHE  QPB    4.50
 &rst iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 755, 756,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  51 PHE  HA       52 CPRO HA     4.50
 &rst iat= 753, 781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  52 CPRO HA       52 CPRO QPB    5.63
 &rst iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 778, 779,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 CPRO QPD      52 CPRO QPB    6.12
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 772, 773,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 778, 779,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  52 CPRO QPD      52 CPRO QPG    5.97
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 772, 773,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 775, 776,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 SER  QPB      53 SER  HA     5.50
 &rst iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 789, 790,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 SER  HA       54 PHE  HN     5.50
 &rst iat= 787, 796, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  53 SER  HA      148 MET  HA     3.50
 &rst iat= 787,2216, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  53 SER  HA      148 MET  QPG    5.50
 &rst iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 PHE  HA       55 GLU  HN     5.50
 &rst iat= 798, 816, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  54 PHE  HB2      60 LYS  HA     4.50
 &rst iat= 800, 903, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  55 GLU  HA       55 GLU  HB2    4.50
 &rst iat= 818, 820, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  55 GLU  HA       55 GLU  HB3    4.50
 &rst iat= 818, 821, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  55 GLU  HA       55 GLU  QPG    5.50
 &rst iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 823, 824,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  55 GLU  HA       56 VAL  HN     5.50
 &rst iat= 818, 832, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  55 GLU  HA       60 LYS  HA     4.50
 &rst iat= 818, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  55 GLU  HB3      60 LYS  HA     4.50
 &rst iat= 821, 903, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  55 GLU  QPG      60 LYS  HA     5.50
 &rst iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 823, 824,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  55 GLU  QPG      60 LYS  QPE    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 823, 824,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 914, 915,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  HA       56 VAL  HB     4.50
 &rst iat= 834, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  56 VAL  HA       56 VAL  MG1    5.50
 &rst iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 838, 839, 840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  HA       56 VAL  MG2    5.50
 &rst iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  MG1      56 VAL  HB     4.50
 &rst iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 838, 839, 840,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  MG2      56 VAL  HB     5.50
 &rst iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  56 VAL  MG2      57 HISP HN     6.82
 &rst iat=  -1, 848, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 842, 843, 844,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  57 HISP HA       57 HISP QPB    4.50
 &rst iat= 850,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 852, 853,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  58 ASP  QPB      58 ASP  HA     5.50
 &rst iat=  -1, 868, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 870, 871,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  HA       59 LYS  QPB    4.50
 &rst iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 883, 884,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  HA       59 LYS  QPG    5.50
 &rst iat= 881,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  QPE      59 LYS  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 883, 884,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  QPE      59 LYS  QPD    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 889, 890,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  QPE      59 LYS  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  59 LYS  QPE      62 PRO  QPB    5.52
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 892, 893,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 LYS  HA       60 LYS  HB2    4.50
 &rst iat= 903, 905, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  60 LYS  HA       60 LYS  QPD    5.50
 &rst iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 911, 912,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 LYS  HB2      60 LYS  QPG    4.50
 &rst iat= 905,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 908, 909,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  60 LYS  HA       61 ASN  HN     5.50
 &rst iat= 903, 923, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  62 PRO  HA       62 PRO  QPB    4.50
 &rst iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  62 PRO  QPD      62 PRO  HA     5.50
 &rst iat=  -1, 947, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 938, 939,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  62 PRO  QPD      62 PRO  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 938, 939,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 944, 945,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  62 PRO  HA       63 THR  HN     5.50
 &rst iat= 947, 951, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  63 THR  HA       63 THR  HB     4.50
 &rst iat= 953, 955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  63 THR  HA       64 LEU  HN     4.20
 &rst iat= 953, 965, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  63 THR  MG       64 LEU  HN     5.75
 &rst iat=  -1, 965, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 THR  MG      150 GLY  HA2    5.50
 &rst iat=  -1,2255, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 THR  MG      151 LYS  HA     5.50
 &rst iat=  -1,2262, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 THR  MG      151 LYS  HB3    4.50
 &rst iat=  -1,2265, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  63 THR  HA      152 ILE  HA     5.50
 &rst iat= 953,2284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  63 THR  MG      152 ILE  HA     5.50
 &rst iat=  -1,2284, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  HA       64 LEU  QQD    6.63
 &rst iat= 967, 971, r1= 1.30, r2= 1.80, r3= 8.83, r4= 9.33,  &end
#
#  64 LEU  HA       64 LEU  QQD    5.96
 &rst iat= 967, 971, r1= 1.30, r2= 1.80, r3= 8.16, r4= 8.66,  &end
#
#  64 LEU  QQD      64 LEU  HG     5.50
 &rst iat= 971, 972, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  64 LEU  QQD      64 LEU  HB2    5.95
 &rst iat= 971, 969, r1= 1.30, r2= 1.80, r3= 8.15, r4= 8.65,  &end
#
#  64 LEU  QQD      64 LEU  HG     5.50
 &rst iat= 971, 972, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  64 LEU  HB2     152 ILE  QPG    3.50
 &rst iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2292,2293,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  HB2     152 ILE  MG     5.50
 &rst iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  HB3     152 ILE  MG     5.50
 &rst iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  QQD     152 ILE  QPG    6.35
 &rst iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 9.09, r4= 9.59,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2292,2293,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  QQD     152 ILE  QPG    6.08
 &rst iat= 971,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2292,2293,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 GLU  HA       65 GLU  HB2    4.50
 &rst iat= 986, 988, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  65 GLU  HA       65 GLU  HB3    3.50
 &rst iat= 986, 989, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  65 GLU  HA       66 ILE  HN     4.20
 &rst iat= 986,1000, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  65 GLU  HA      153 VAL  MG1    5.89
 &rst iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2307,2308,2309,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 GLU  HA      153 VAL  MG2    5.50
 &rst iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  65 GLU  QPG     153 VAL  MG2    5.84
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 991, 992,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HA       66 ILE  QPG    3.50
 &rst iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HA       66 ILE  MG     5.50
 &rst iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HB       66 ILE  HN     5.50
 &rst iat=1004,1000, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  66 ILE  HB       66 ILE  MD     5.50
 &rst iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HB       66 ILE  MG     5.50
 &rst iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MD       66 ILE  QPG    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MG       66 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HB       67 PRO  QPD    4.50
 &rst iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MD       67 PRO  QPD    7.15
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.54, r4= 9.04,
 igr1=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  QPG      67 PRO  QPD    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MG       67 PRO  QPD    6.21
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  QPG      72 VAL  MG2    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MG       72 VAL  MG2    5.81
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MD      129 PRO  QPG    6.44
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
 igr1=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MG      129 PRO  QPG    6.24
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,
 igr1=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MD      152 ILE  MG     6.06
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  QPG     152 ILE  MG     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HB      153 VAL  HB     5.00  (## loosened from 3.5A 2/26/96.)
 &rst iat=1004,2305, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  66 ILE  HA      154 VAL  MG2    5.50
 &rst iat=1002,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HB      154 VAL  HA     4.50
 &rst iat=1004,2319, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  66 ILE  HB      154 VAL  MG1    4.50
 &rst iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  HB      154 VAL  MG2    5.50
 &rst iat=1004,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  66 ILE  MG      154 VAL  MG2    5.67
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1006,1007,1008,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 PRO  HA       67 PRO  QPB    5.50
 &rst iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1026,1027,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 PRO  HA       67 PRO  QPG    5.50
 &rst iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1023,1024,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 PRO  QPD      67 PRO  QPB    5.77
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1026,1027,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  67 PRO  QPD      67 PRO  QPG    5.87
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1023,1024,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  HA       68 ALA  MB     3.50
 &rst iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1037,1038,1039,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  HA      129 PRO  QPG    5.50
 &rst iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  MB      131 ALA  HA     3.50
 &rst iat=  -1,1979, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1037,1038,1039,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  HA      154 VAL  MG1    5.50
 &rst iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  68 ALA  MB      155 LYS  HA     3.50
 &rst iat=  -1,2335, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1037,1038,1039,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  70 ALA  HA       70 ALA  MB     3.50
 &rst iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1054,1055,1056,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 THR  HA       71 THR  MG     5.50
 &rst iat=1062,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1066,1067,1068,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 THR  HB       71 THR  HA     3.50
 &rst iat=1064,1062, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  71 THR  HB       71 THR  MG     4.50
 &rst iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1066,1067,1068,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  71 THR  HA       72 VAL  HN     4.20
 &rst iat=1062,1074, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  71 THR  MG      127 TRP  HA     5.50
 &rst iat=  -1,1909, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1066,1067,1068,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HA       72 VAL  MG1    5.50
 &rst iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HA       72 VAL  MG2    5.50
 &rst iat=1076,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG1      72 VAL  HB     5.50
 &rst iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG2      72 VAL  HB     5.50
 &rst iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  HA       73 ASP  HN     4.20
 &rst iat=1076,1090, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  72 VAL  MG1      73 ASP  HN     5.50
 &rst iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG2     127 TRP  HE     5.50
 &rst iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG2     128 HISP HA     5.77
 &rst iat=  -1,1933, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG1     129 PRO  QPG    5.72
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG2     129 PRO  QPD    6.62
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.98, r4= 8.48,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1950,1951,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  72 VAL  MG2     129 PRO  QPG    6.11
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.43, r4= 7.93,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  73 ASP  HA       73 ASP  HB2    4.50
 &rst iat=1092,1094, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  73 ASP  HA       74 VAL  HN     4.20
 &rst iat=1092,1103, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  73 ASP  HA      126 THR  HA     4.50
 &rst iat=1092,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  73 ASP  HA      126 THR  MG     5.50
 &rst iat=1092,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 VAL  HA       74 VAL  HN     4.20
 &rst iat=1105,1103, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  74 VAL  MG2     125 PHE  CZ     7.93
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.67, r4=10.17,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  74 VAL  MG2     125 PHE  HZ     5.50
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  75 THR  HA       76 PHE  HN     4.20
 &rst iat=1121,1133, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  76 PHE  HB2     122 TYR  HB3    4.50
 &rst iat=1137,1830, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  77 ILE  HA       77 ILE  QPG    3.50
 &rst iat=1155,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 ILE  HB       77 ILE  MD     4.50
 &rst iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 ILE  HA       78 ASN  HN     4.20
 &rst iat=1155,1172, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  77 ILE  QPG     120 PHE  HB3    3.50
 &rst iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  77 ILE  HA      122 TYR  HA     4.50
 &rst iat=1155,1827, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  77 ILE  HA      122 TYR  HB2    4.50
 &rst iat=1155,1829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  79 THR  HB      120 PHE  HA     3.50
 &rst iat=1190,1800, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  80 ASN  HA       80 ASN  HB2    4.50
 &rst iat=1202,1204, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  80 ASN  HA       80 ASN  HB3    4.50
 &rst iat=1202,1205, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  80 ASN  HB3      85 HISP HD     5.50
 &rst iat=1205,1284, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  81 LYS  HA       81 LYS  QPB    4.50
 &rst iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1218,1219,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 LYS  HA       81 LYS  QPG    5.50
 &rst iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1221,1222,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 LYS  HA      114 VAL  MG2    5.78
 &rst iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 LYS  HA      115 PRO  QPB    5.50
 &rst iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1727,1728,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  81 LYS  HA      115 PRO  QPD    5.50
 &rst iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  82 GLY  HA2     114 VAL  MG2    5.50
 &rst iat=1238,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  83 PHE  HA       83 PHE  HB2    4.50
 &rst iat=1245,1247, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  83 PHE  HA       83 PHE  HB3    4.50
 &rst iat=1245,1248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  83 PHE  HA       83 PHE  CZ     5.50
 &rst iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1253,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  83 PHE  HA      114 VAL  MG2    5.50
 &rst iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  83 PHE  HA      140 ILE  MD     5.62
 &rst iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  83 PHE  HB3     140 ILE  MD     5.50
 &rst iat=1248,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  84 GLY  HA2     111 PHE  HB2    4.50 ## loosened 3/25/96.
 &rst iat=1265,1663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  84 GLY  HA3     114 VAL  MG2    5.51
 &rst iat=1266,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  84 GLY  HA2     114 VAL  MG2    5.62
 &rst iat=1265,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  85 HISP HA       85 HISP HB2    4.50
 &rst iat=1272,1274, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  85 HISP HA       86 SER  HN     4.20
 &rst iat=1272,1288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  85 HISP HB2      86 SER  HN     4.20
 &rst iat=1274,1288, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
##  85 HISP HA      110 GLY  HA2    4.50 3/25/96.
## &rst iat=1272,1654, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  85 HISP HA      140 ILE  MD     5.50
 &rst iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  86 SER  HB2      86 SER  HA     4.50
 &rst iat=1292,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  86 SER  HB3      86 SER  HA     4.50
 &rst iat=1293,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  86 SER  HA       87 PHE  HN     4.20
 &rst iat=1290,1299, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  86 SER  HB2      87 PHE  HN     5.50
 &rst iat=1292,1299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  86 SER  HB2     111 PHE  CZ     6.45
 &rst iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  86 SER  HB3     111 PHE  CZ     6.76
 &rst iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 7.52, r4= 8.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  86 SER  HB2     140 ILE  MD     6.39
 &rst iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  87 PHE  HA       87 PHE  HB2    4.50
 &rst iat=1301,1303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  87 PHE  HA       87 PHE  HB3    4.50
 &rst iat=1301,1304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  87 PHE  HA       87 PHE  HN     5.50
 &rst iat=1301,1299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  87 PHE  HA       88 ASP  HN     5.50
 &rst iat=1301,1319, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  87 PHE  HB2     109 THR  MG     5.50
 &rst iat=1303,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HB3      88 ASP  HA     5.50
 &rst iat=1324,1321, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
##  88 ASP  HB2     105 ILE  HB     4.50 3/25/96.
## &rst iat=1323,1590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  88 ASP  HB2     105 ILE  MD     5.50
 &rst iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HB2     105 ILE  MG     5.50
 &rst iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HB3     105 ILE  MD     5.50
 &rst iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HB3     105 ILE  MG     5.50
 &rst iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  88 ASP  HA      107 ALA  MB     3.50 3/25/96.
## &rst iat=1321,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HA      108 GLY  HA3    4.50
 &rst iat=1321,1634, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  88 ASP  HA      108 GLY  HA2    4.50
 &rst iat=1321,1633, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  88 ASP  HB2     137 VAL  MG2    5.50
 &rst iat=1323,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  88 ASP  HB3     137 VAL  MG2    5.50
 &rst iat=1324,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HA       89 ILE  HB     4.50
 &rst iat=1334,1336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  89 ILE  HA       89 ILE  MG     5.50
 &rst iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MD       89 ILE  HB     5.50
 &rst iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  QPG      89 ILE  HB     4.50
 &rst iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG       89 ILE  HB     5.50
 &rst iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG       89 ILE  MD     6.32
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HA       90 THR  HN     4.20
 &rst iat=1334,1351, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  89 ILE  HB      105 ILE  MD     5.50
 &rst iat=1336,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      105 ILE  MG     5.73
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      106 VAL  HB     5.50
 &rst iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      106 VAL  MG2    6.46
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1615,1616,1617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MD      107 ALA  MB     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      107 ALA  MB     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      125 PHE  CG     7.40
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      127 TRP  HH     6.02
 &rst iat=  -1,1922, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      134 TYR  HB3    5.57
 &rst iat=  -1,2013, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HA      136 TYR  HA     4.50
 &rst iat=1334,2052, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  89 ILE  HA      136 TYR  QPB    5.50
 &rst iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2054,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      136 TYR  QPB    6.07
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2054,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  HA      137 VAL  MG1    5.62
 &rst iat=1334,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MD      152 ILE  MD     7.13
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      152 ILE  MD     6.53
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.11, r4= 8.61,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  89 ILE  MG      152 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2292,2293,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HA       90 THR  MG     5.50
 &rst iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HB       90 THR  HA     3.50
 &rst iat=1355,1353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  90 THR  HB       90 THR  MG     5.50
 &rst iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG       90 THR  HN     5.73
 &rst iat=  -1,1351, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      102 ILE  HA     5.50
 &rst iat=  -1,1542, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      102 ILE  MG     5.92
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.45, r4= 7.95,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HA      105 ILE  HA     5.50
 &rst iat=1353,1588, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  90 THR  HB      105 ILE  HB     4.50  ## loosened 3/25/96.
 &rst iat=1355,1590, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  90 THR  HB      105 ILE  QPG    4.50
 &rst iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1596,1597,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      105 ILE  HA     5.78
 &rst iat=  -1,1588, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      105 ILE  MD     6.31
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.87, r4= 8.37,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      105 ILE  MG     6.32
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HA      106 VAL  HB     4.50
 &rst iat=1353,1609, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  90 THR  HA      106 VAL  MG2    5.50
 &rst iat=1353,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1615,1616,1617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HB      106 VAL  HB     4.50
 &rst iat=1355,1609, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  90 THR  MG      135 TYR  HB2    5.50
 &rst iat=  -1,2033, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  HB      137 VAL  MG2    5.50
 &rst iat=1355,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      137 VAL  MG1    5.99
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  90 THR  MG      137 VAL  MG2    6.38
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1=1357,1358,1359,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  HA       91 LYS  HB3    3.50
 &rst iat=1367,1370, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  91 LYS  HA       91 LYS  QPG    4.50
 &rst iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1372,1373,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  QPE      91 LYS  HB2    3.50
 &rst iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1=1378,1379,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  QPG      91 LYS  QPE    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1372,1373,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1378,1379,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  HA      134 TYR  HA     4.50
 &rst iat=1367,2010, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  91 LYS  HA      134 TYR  CG     6.09
 &rst iat=1367,  -1, r1= 1.30, r2= 1.80, r3= 6.79, r4= 7.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  91 LYS  HA      135 TYR  HA     4.50
 &rst iat=1367,2031, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  92 LYS  HA       92 LYS  QPB    4.50
 &rst iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1391,1392,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  92 LYS  HA       92 LYS  QPG    4.50
 &rst iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1394,1395,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  92 LYS  QPE      92 LYS  QPD    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1400,1401,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1397,1398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  93 GLY  HA3      94 PRO  QPD    5.50
 &rst iat=1412,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1417,1418,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  93 GLY  HA2      94 PRO  QPD    5.50
 &rst iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1417,1418,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  94 PRO  HA       94 PRO  QPB    5.50
 &rst iat=1426,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1423,1424,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  94 PRO  QPB      94 PRO  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1423,1424,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  94 PRO  QPD      94 PRO  QPG    5.64
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1417,1418,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  94 PRO  HA       95 CPRO HA     4.50
 &rst iat=1426,1440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  94 PRO  QPB      95 CPRO HA     5.50
 &rst iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1423,1424,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  94 PRO  QPD     135 TYR  HB2    5.63
 &rst iat=  -1,2033, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=1417,1418,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  95 CPRO HA       95 CPRO QPB    5.50
 &rst iat=1440,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1437,1438,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  95 CPRO QPD      95 CPRO QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1431,1432,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1434,1435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  95 CPRO QPG      95 CPRO HA     5.50
 &rst iat=  -1,1440, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1434,1435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  95 CPRO QPG      95 CPRO QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1434,1435,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1437,1438,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HA       96 TYR  HB2    4.50
 &rst iat=1446,1448, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  96 TYR  HA       96 TYR  HB3    4.50
 &rst iat=1446,1449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  96 TYR  HA       96 TYR  CG     5.50
 &rst iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HA      144 ALA  MB     4.50
 &rst iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HB2     144 ALA  MB     3.50
 &rst iat=1448,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  HB3     144 ALA  MB     4.50
 &rst iat=1449,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  96 TYR  CG      144 ALA  MB     6.15
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  97 ALA  HA       97 ALA  MB     3.50
 &rst iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1469,1470,1471,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  97 ALA  HA      145 ALA  MB     3.50
 &rst iat=1467,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HA       98 VAL  HB     4.50
 &rst iat=1477,1479, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  98 VAL  HA       98 VAL  MG1    5.50
 &rst iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1481,1482,1483,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HA       98 VAL  MG2    5.50
 &rst iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HB       98 VAL  MG1    4.50
 &rst iat=1479,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1481,1482,1483,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG2      98 VAL  HB     4.50
 &rst iat=  -1,1479, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG1     141 PRO  HA     6.02
 &rst iat=  -1,2145, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1=1481,1482,1483,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HA      142 GLY  HA3    4.50
 &rst iat=1477,2152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  98 VAL  HA      142 GLY  HA2    4.50
 &rst iat=1477,2151, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  98 VAL  MG1     142 GLY  HA3    5.93
 &rst iat=  -1,2152, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1481,1482,1483,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG1     142 GLY  HA2    5.50
 &rst iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1481,1482,1483,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG2     142 GLY  HA2    5.67
 &rst iat=  -1,2151, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HA      145 ALA  MB     4.50
 &rst iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  HB      145 ALA  MB     4.50
 &rst iat=1479,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG1     145 ALA  MB     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1481,1482,1483,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG2     145 ALA  HA     5.50
 &rst iat=  -1,2185, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  98 VAL  MG2     145 ALA  MB     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1485,1486,1487,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HA       99 MET  QPB    4.50
 &rst iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1495,1496,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HA       99 MET  ME     4.50
 &rst iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1504,1505,1506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HA       99 MET  QPG    5.50
 &rst iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1498,1498,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  ME       99 MET  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1504,1505,1506,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1498,1498,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  QPG      99 MET  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1498,1498,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1495,1496,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  99 MET  HA      100 PRO  QPD    5.50
 &rst iat=1493,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1511,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  HA      100 PRO  QPB    4.50
 &rst iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1517,1518,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  HA      100 PRO  QPD    5.50
 &rst iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1511,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  QPD     100 PRO  QPG    5.58
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1=1511,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1514,1515,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  QPG     100 PRO  HA     4.50
 &rst iat=  -1,1520, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1514,1515,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  HA      139 GLN  QPG    5.50
 &rst iat=1520,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2106,2107,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  QPG     139 GLN  HA     4.50
 &rst iat=  -1,2101, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1514,1515,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 100 PRO  QPG     141 PRO  QPD    6.52
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1514,1515,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2136,2137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 101 VAL  HA      101 VAL  HB     4.50
 &rst iat=1526,1528, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 101 VAL  HA      101 VAL  MG2    4.50
 &rst iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1534,1535,1536,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 101 VAL  HB      101 VAL  MG2    4.50
 &rst iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1534,1535,1536,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 101 VAL  MG1     101 VAL  HA     4.50
 &rst iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1530,1531,1532,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  HA      102 ILE  HB     3.50
 &rst iat=1542,1544, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 102 ILE  HA      102 ILE  MD     5.77
 &rst iat=1542,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  HA      102 ILE  QPG    4.50
 &rst iat=1542,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1550,1551,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  HA      102 ILE  MG     5.50
 &rst iat=1542,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  HB      102 ILE  MD     5.50
 &rst iat=1544,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  QPG     102 ILE  HB     4.50
 &rst iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1550,1551,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  QPG     102 ILE  MD     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1550,1551,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  QPG     102 ILE  MG     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1550,1551,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MG      102 ILE  HB     5.50
 &rst iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MG      102 ILE  MD     5.87
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MD      139 GLN  HB3    5.50
 &rst iat=  -1,2104, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MD      139 GLN  QPG    6.27
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2106,2107,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MG      139 GLN  HB2    4.50
 &rst iat=  -1,2103, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MG      139 GLN  HB3    5.50
 &rst iat=  -1,2104, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MD      139 GLN  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1553,1554,1555,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2106,2107,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 102 ILE  MG      139 GLN  QPG    6.10
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
 igr1=1546,1547,1548,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2106,2107,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 103 ASP  HA      103 ASP  HB2    4.50
 &rst iat=1561,1563, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 103 ASP  HA      103 ASP  HB3    4.50
 &rst iat=1561,1564, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 104 PRO  HA      104 PRO  QPB    4.50
 &rst iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1579,1580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 104 PRO  HA      104 PRO  QPG    5.50
 &rst iat=1582,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1576,1577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 104 PRO  QPD     104 PRO  QPG    5.55
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1573,1574,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1576,1577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 104 PRO  QPG     104 PRO  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1576,1577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1579,1580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  HA      105 ILE  HB     4.50
 &rst iat=1588,1590, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 105 ILE  HA      105 ILE  MG     5.50
 &rst iat=1588,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  MD      105 ILE  HA     5.50
 &rst iat=  -1,1588, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1599,1600,1601,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  MG      105 ILE  HB     5.50
 &rst iat=  -1,1590, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  HA      106 VAL  HN     5.50
 &rst iat=1588,1605, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 105 ILE  MG      106 VAL  HN     5.50
 &rst iat=  -1,1605, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  MG      106 VAL  MG2    6.28
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1615,1616,1617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  MG      107 ALA  HN     5.50
 &rst iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  MG      137 VAL  MG2    5.94
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.47, r4= 7.97,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 106 VAL  HA      106 VAL  HB     3.50
 &rst iat=1607,1609, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 106 VAL  HA      106 VAL  MG2    4.50
 &rst iat=1607,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1615,1616,1617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 106 VAL  HB      106 VAL  MG1    5.50
 &rst iat=1609,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1611,1612,1613,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 106 VAL  MG2     106 VAL  HB     4.50
 &rst iat=  -1,1609, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1615,1616,1617,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  HA      107 ALA  HN     5.50
 &rst iat=1623,1621, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 107 ALA  HA      107 ALA  MB     3.50
 &rst iat=1623,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  MB      125 PHE  CG     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  MB      125 PHE  CZ     5.71
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  MB      127 TRP  HB2    3.50
 &rst iat=  -1,1911, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  MB      127 TRP  HB3    3.50 ## loosened 3/25/96.
 &rst iat=  -1,1912, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 109 THR  HA      109 THR  MG     5.50
 &rst iat=1640,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 109 THR  HB      109 THR  HA     4.50
 &rst iat=1642,1640, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 109 THR  HB      109 THR  MG     5.50
 &rst iat=1642,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 109 THR  MG      123 THR  MG     5.99
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 111 PHE  HA      111 PHE  HB2    4.50
 &rst iat=1661,1663, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 111 PHE  HA      111 PHE  HB3    4.50
 &rst iat=1661,1664, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 111 PHE  HA      112 SER  HN     4.20
 &rst iat=1661,1679, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 112 SER  HA      112 SER  HB3    4.50
 &rst iat=1681,1684, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 112 SER  HB2     112 SER  HA     4.50
 &rst iat=1683,1681, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 112 SER  HB3     112 SER  HN     5.50
 &rst iat=1684,1679, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 112 SER  HA      113 PRO  QPD    4.50
 &rst iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 112 SER  HB2     113 PRO  QPD    5.50
 &rst iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 113 PRO  HA      113 PRO  QPB    4.50
 &rst iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1697,1698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 113 PRO  HA      113 PRO  QPD    5.50
 &rst iat=1700,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 113 PRO  QPD     113 PRO  QPB    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1697,1698,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 113 PRO  QPD     113 PRO  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1694,1695,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  HA      114 VAL  HB     3.50
 &rst iat=1706,1708, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 114 VAL  HA      114 VAL  MG2    5.50
 &rst iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  MG1     114 VAL  HB     4.50
 &rst iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1710,1711,1712,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  MG2     114 VAL  HB     5.50
 &rst iat=  -1,1708, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  HA      115 PRO  QPD    5.50
 &rst iat=1706,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  HB      115 PRO  QPD    5.50
 &rst iat=1708,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  MG1     115 PRO  QPD    6.33
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,
 igr1=1710,1711,1712,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 114 VAL  MG2     115 PRO  QPD    6.34
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1=1714,1715,1716,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  HA      115 PRO  QPB    5.50
 &rst iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1727,1728,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  HA      115 PRO  QPG    5.50
 &rst iat=1730,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1724,1725,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  QPD     115 PRO  HA     5.50
 &rst iat=  -1,1730, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  QPD     115 PRO  QPG    5.95
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,
 igr1=1721,1722,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1724,1725,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 116 LYS  HA      116 LYS  HB2    3.50
 &rst iat=1736,1738, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 116 LYS  HA      116 LYS  HB3    3.50
 &rst iat=1736,1739, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 116 LYS  QPE     116 LYS  QPD    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1747,1748,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1744,1745,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 116 LYS  QPE     116 LYS  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1747,1748,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1741,1742,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 116 LYS  QPG     116 LYS  HA     4.50
 &rst iat=  -1,1736, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1741,1742,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 117 ASP  QPB     117 ASP  HA     4.50
 &rst iat=  -1,1758, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1760,1761,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 119 LYS  HA      119 LYS  HB2    4.50
 &rst iat=1778,1780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 119 LYS  HA      119 LYS  HB3    4.50
 &rst iat=1778,1781, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 119 LYS  HA      119 LYS  QPG    5.50
 &rst iat=1778,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1783,1784,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 119 LYS  HB2     119 LYS  QPG    4.50
 &rst iat=1780,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1783,1784,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 119 LYS  HA      120 PHE  HN     5.50
 &rst iat=1778,1798, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 120 PHE  HA      120 PHE  HB3    4.50
 &rst iat=1800,1803, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 120 PHE  HA      120 PHE  CG     5.50
 &rst iat=1800,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 120 PHE  HB3     120 PHE  CZ     5.50
 &rst iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1808,1812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 120 PHE  HA      121 GLY  HN     4.20
 &rst iat=1800,1818, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 121 GLY  HA3     122 TYR  HN     5.50
 &rst iat=1821,1825, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 122 TYR  HA      122 TYR  HB2    4.50
 &rst iat=1827,1829, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 122 TYR  HA      122 TYR  HB3    4.50
 &rst iat=1827,1830, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 122 TYR  HA      123 THR  HN     5.50
 &rst iat=1827,1846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 123 THR  HA      123 THR  HN     5.50
 &rst iat=1848,1846, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 123 THR  HA      123 THR  MG     5.50
 &rst iat=1848,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 123 THR  HB      123 THR  HA     4.50
 &rst iat=1850,1848, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 123 THR  HB      123 THR  MG     5.50
 &rst iat=1850,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 123 THR  MG      125 PHE  CG     7.29 3/25/96.
## &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.96, r4= 9.46,
## igr1=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 124 ASP  HA      124 ASP  HB2    4.50
 &rst iat=1862,1864, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 124 ASP  HA      124 ASP  HB3    4.50
 &rst iat=1862,1865, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 124 ASP  HA      125 PHE  HN     4.20
 &rst iat=1862,1873, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 125 PHE  HA      125 PHE  CG     5.50
 &rst iat=1875,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 125 PHE  HB2     125 PHE  HA     4.50
 &rst iat=1877,1875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 125 PHE  HB3     125 PHE  HA     4.50
 &rst iat=1878,1875, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 126 THR  HA      126 THR  MG     5.50
 &rst iat=1895,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 126 THR  HB      126 THR  HA     4.50
 &rst iat=1897,1895, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 126 THR  HB      126 THR  HN     5.50
 &rst iat=1897,1893, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 126 THR  HB      126 THR  MG     4.50
 &rst iat=1897,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 126 THR  HA      127 TRP  HN     4.20
 &rst iat=1895,1907, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 126 THR  MG      127 TRP  HN     5.65
 &rst iat=  -1,1907, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr1=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HA      127 TRP  HB2    4.50
 &rst iat=1909,1911, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 127 TRP  HA      127 TRP  HB3    4.50
 &rst iat=1909,1912, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 127 TRP  HA      127 TRP  HD     4.50
 &rst iat=1909,1915, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 127 TRP  HH      152 ILE  MD     5.61
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HH      152 ILE  MG     5.50
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ2     152 ILE  MD     5.50
 &rst iat=1920,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ2     152 ILE  MG     5.50
 &rst iat=1920,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 128 HISP HA      128 HISP QPB    4.50
 &rst iat=1933,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1935,1936,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  HA      129 PRO  QPB    5.50
 &rst iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  HA      129 PRO  QPG    5.50
 &rst iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPD     129 PRO  QPB    6.26
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.36, r4= 7.86,
 igr1=1950,1951,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPD     129 PRO  QPG    5.91
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1=1950,1951,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPG     129 PRO  QPB    6.15
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  HA      154 VAL  MG1    5.50
 &rst iat=1959,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPB     154 VAL  MG1    5.59
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr1=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPB     154 VAL  MG2    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPG     154 VAL  MG1    5.75
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,
 igr1=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPG     154 VAL  MG2    6.48
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.83, r4= 8.33,
 igr1=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 130 THR  HB      130 THR  MG     4.50
 &rst iat=1967,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1969,1970,1971,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 130 THR  HA      154 VAL  MG2    5.50
 &rst iat=1965,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  MB      131 ALA  HA     3.50
 &rst iat=  -1,1979, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  HA      154 VAL  HB     3.50
 &rst iat=1979,2321, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 131 ALA  HA      154 VAL  MG1    5.50
 &rst iat=1979,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  MB      154 VAL  HB     4.50
 &rst iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  MB      154 VAL  MG1    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  MB      155 LYS  HA     3.50
 &rst iat=  -1,2335, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 131 ALA  MB      155 LYS  QPB    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=1981,1982,1983,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2337,2338,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 132 GLY  HA2     153 VAL  MG1    4.50
 &rst iat=1989,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2307,2308,2309,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  HA      133 THR  MG     5.50
 &rst iat=1996,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2000,2001,2002,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  HB      133 THR  HA     4.50
 &rst iat=1998,1996, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 133 THR  HB      133 THR  MG     5.50
 &rst iat=1998,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2000,2001,2002,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  MG      134 TYR  HN     6.20
 &rst iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1=2000,2001,2002,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  MG      151 LYS  HA     5.50
 &rst iat=  -1,2262, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2000,2001,2002,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 133 THR  HA      153 VAL  HA     3.50
 &rst iat=1996,2303, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 134 TYR  HA      134 TYR  HB2    4.50
 &rst iat=2010,2012, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 134 TYR  HA      134 TYR  HB3    4.50
 &rst iat=2010,2013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 134 TYR  HA      134 TYR  CG     5.50
 &rst iat=2010,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  HA      152 ILE  HB     4.50
 &rst iat=2010,2286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 134 TYR  HB3     152 ILE  MD     6.01
 &rst iat=2013,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CG      152 ILE  MD     8.05
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.80, r4=10.30,
 igr1=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CG      152 ILE  MG     7.59
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.30, r4= 9.80,
 igr1=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CG      154 VAL  MG2    6.83
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.45, r4= 8.95,
 igr1=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CZ      154 VAL  HB     5.80
 &rst iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1=2018,2023,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 135 TYR  HA      135 TYR  HB3    4.50
 &rst iat=2031,2034, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 135 TYR  HA      136 TYR  HN     5.50
 &rst iat=2031,2050, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 135 TYR  HA      151 LYS  HA     4.50
 &rst iat=2031,2262, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 135 TYR  CG      151 LYS  QPE    7.79
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.28, r4= 9.78,
 igr1=2037,2046,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2273,2274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HA      137 VAL  HB     4.50
 &rst iat=2073,2075, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 137 VAL  HA      137 VAL  MG1    5.50
 &rst iat=2073,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HB      137 VAL  MG2    5.50
 &rst iat=2075,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2081,2082,2083,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  MG1     137 VAL  HB     5.50
 &rst iat=  -1,2075, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HA      138 CYS  HN     5.50
 &rst iat=2073,2087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 137 VAL  MG1     138 CYS  HN     5.50
 &rst iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HB      144 ALA  HA     3.50
 &rst iat=2075,2175, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 137 VAL  MG1     144 ALA  MB     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HA      149 PHE  HA     5.50
 &rst iat=2073,2235, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 137 VAL  MG1     149 PHE  HA     6.07
 &rst iat=  -1,2235, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  MG1     149 PHE  HB2    5.50
 &rst iat=  -1,2237, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  MG1     149 PHE  HB3    5.50
 &rst iat=  -1,2238, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 138 CYS  HA      139 GLN  HN     5.50
 &rst iat=2089,2099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 138 CYS  HB2     148 MET  ME     4.50
 &rst iat=2091,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 138 CYS  HB3     148 MET  ME     3.50
 &rst iat=2092,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 139 GLN  HA      139 GLN  HB3    3.50
 &rst iat=2101,2104, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 139 GLN  QPG     139 GLN  HA     5.50
 &rst iat=  -1,2101, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=2106,2107,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 139 GLN  QPG     139 GLN  HB3    4.50
 &rst iat=  -1,2104, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=2106,2107,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  HA      140 ILE  MD     5.71
 &rst iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  HA      140 ILE  QPG    4.50
 &rst iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2126,2127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  HA      140 ILE  MG     5.79
 &rst iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MD      140 ILE  HB     4.50
 &rst iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MD      140 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2126,2127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MG      140 ILE  HB     5.50
 &rst iat=  -1,2120, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MG      140 ILE  MD     6.13
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,
 igr1=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MG      140 ILE  QPG    5.97
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2126,2127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  HA      141 PRO  QPD    5.50
 &rst iat=2118,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2136,2137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MG      141 PRO  QPD    6.68
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.04, r4= 8.54,
 igr1=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2136,2137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MD      143 HISP HE     5.62
 &rst iat=  -1,2165, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 141 PRO  HA      141 PRO  QPB    5.50
 &rst iat=2145,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2142,2143,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 141 PRO  HA      141 PRO  QPG    5.50
 &rst iat=2145,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2139,2140,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 141 PRO  QPD     141 PRO  QPG    5.70
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=2136,2137,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2139,2140,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 142 GLY  HA2     145 ALA  MB     4.50
 &rst iat=2151,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 143 HISP HA      143 HISP HB2    4.50
 &rst iat=2158,2160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 143 HISP HA      143 HISP HD     4.50
 &rst iat=2158,2169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
## 143 HISP HA      148 MET  ME     3.50 3/25/96.
## &rst iat=2158,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 143 HISP HA      148 MET  QPG    5.50 3/25/96.
## &rst iat=2158,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 144 ALA  HA      144 ALA  MB     3.50
 &rst iat=2175,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 144 ALA  MB      144 ALA  HN     5.50
 &rst iat=  -1,2173, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 144 ALA  MB      149 PHE  HB2    4.50
 &rst iat=  -1,2237, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 144 ALA  MB      149 PHE  HB3    4.50
 &rst iat=  -1,2238, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 145 ALA  HA      145 ALA  MB     3.50
 &rst iat=2185,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 145 ALA  MB      145 ALA  HN     5.50
 &rst iat=  -1,2183, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2187,2188,2189,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 146 THR  HA      146 THR  MG     5.50
 &rst iat=2195,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2199,2200,2201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 146 THR  HB      146 THR  HA     3.50
 &rst iat=2197,2195, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 146 THR  HB      146 THR  MG     5.50
 &rst iat=2197,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2199,2200,2201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 148 MET  HA      148 MET  HB2    4.50
 &rst iat=2216,2218, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 148 MET  HA      148 MET  QPG    5.50
 &rst iat=2216,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 148 MET  ME      148 MET  HB3    3.50
 &rst iat=  -1,2219, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 148 MET  ME      148 MET  QPG    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 148 MET  HA      149 PHE  CZ     6.48
 &rst iat=2216,  -1, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2243,2247,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 148 MET  ME      149 PHE  HN     4.50 3/25/96.
## &rst iat=  -1,2233, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
## igr1=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 149 PHE  HA      149 PHE  HB2    4.50
 &rst iat=2235,2237, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 149 PHE  HA      149 PHE  HB3    4.50
 &rst iat=2235,2238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 149 PHE  HA      149 PHE  CG     5.50
 &rst iat=2235,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2241,2249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 149 PHE  HA      150 GLY  HN     5.50
 &rst iat=2235,2253, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 150 GLY  HA3     151 LYS  HN     5.50
 &rst iat=2256,2260, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
## 150 GLY  HA3      63 THR  MG     4.50 3/25/96.
## &rst iat=2256,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  HA      151 LYS  HB2    4.50
 &rst iat=2262,2264, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 151 LYS  HA      151 LYS  HB3    3.50
 &rst iat=2262,2265, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
# 151 LYS  HA      151 LYS  QPE    5.50
 &rst iat=2262,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2273,2274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  HA      151 LYS  QPG    5.50
 &rst iat=2262,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2267,2268,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  HB2     151 LYS  QPD    4.50
 &rst iat=2264,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2270,2271,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  HB2     151 LYS  QPG    4.50
 &rst iat=2264,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2267,2268,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  HA      152 ILE  HN     4.20
 &rst iat=2262,2282, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 152 ILE  HA      152 ILE  MG     5.50
 &rst iat=2284,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  HB      152 ILE  MD     5.50
 &rst iat=2286,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  MD      152 ILE  HA     5.95
 &rst iat=  -1,2284, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  MD      152 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2292,2293,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  MG      152 ILE  HB     5.50
 &rst iat=  -1,2286, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  MG      152 ILE  MD     6.35
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.92, r4= 8.42,
 igr1=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 152 ILE  HA      153 VAL  HN     4.20
 &rst iat=2284,2301, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 152 ILE  MG      153 VAL  HN     6.07
 &rst iat=  -1,2301, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 153 VAL  HA      153 VAL  HB     4.50
 &rst iat=2303,2305, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 153 VAL  HA      153 VAL  MG2    5.50
 &rst iat=2303,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 153 VAL  HB      153 VAL  MG2    4.50
 &rst iat=2305,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 153 VAL  MG2     153 VAL  HN     5.84
 &rst iat=  -1,2301, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1=2311,2312,2313,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 153 VAL  HA      154 VAL  HN     4.20
 &rst iat=2303,2317, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 154 VAL  HA      154 VAL  MG1    5.50
 &rst iat=2319,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  HA      154 VAL  MG2    5.50
 &rst iat=2319,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  MG1     154 VAL  HB     5.50
 &rst iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  MG2     154 VAL  HB     5.50
 &rst iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  MG2     154 VAL  HN     6.05
 &rst iat=  -1,2317, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 154 VAL  MG1     155 LYS  HA     5.50
 &rst iat=  -1,2335, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  HA      155 LYS  QPB    4.50
 &rst iat=2335,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2337,2338,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  HA      155 LYS  QPD    5.50
 &rst iat=2335,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2343,2344,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  HA      155 LYS  QPG    4.50
 &rst iat=2335,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2340,2341,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  QPB     155 LYS  QPE    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=2337,2338,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2346,2347,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 155 LYS  QPB     155 LYS  QPG    4.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=2337,2338,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2340,2341,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  64 LEU  HB2    152 ILE  MG      5.00
 &rst iat= 969,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  40 VAL  HN      74 VAL  HA     5.00
 &rst iat= 599,1105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 154 VAL  HA      66 ILE  HN     5.00
 &rst iat=2319,1000, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 142 GLY  HN      98 VAL  HA     5.00
 &rst iat=2149,1477, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 GLY  HN     114 VAL  HB     5.00
 &rst iat=1236,1708, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 ALA  HN     105 ILE  MG      5.00
 &rst iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 151 LYS  HN      63 THR  MG      5.00
 &rst iat=2260,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 957, 958, 959,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  83 PHE  HZ      44 ALA  MB     5.00 4/10/96.
## &rst iat=1255,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  46 LEU  QQD     19 LEU  QQD     5.00
 &rst iat= 683, 292, r1= 1.30, r2= 1.80, r3= 9.40, r4= 9.90,  &end
#
#  46 LEU  QQD     43 ALA  MB     5.00
 &rst iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 7.89, r4= 8.39,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  46 LEU  QQD     55 GLU  HB3     5.00
 &rst iat= 683, 821, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 7 TRP  HH      7 TRP  HZ3     4.00
 &rst iat=  98, 100, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 7 TRP  HZ2   109 THR  HA      5.00
 &rst iat=  96,1640, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 7 TRP  HZ2   112 SER  HB3     5.10
 &rst iat=  96,1684, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
# 7 TRP  HD    113 PRO  QPD     5.03
 &rst iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1691,1692,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 7 TRP  HE    123 THR  HB      5.00
 &rst iat= 102,1850, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
## 7 TRP  HE    123 THR  MG      4.00 3/25/96.
## &rst iat= 102,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 7 TRP  HH    123 THR  MG      5.00 3/25/96.
## &rst iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 7 TRP  HZ2   123 THR  MG      4.00 3/25/96.
## &rst iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 7 TRP  HZ3   123 THR  MG      4.00
 &rst iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 8 LYS  HB2   122 TYR  CG      6.20
 &rst iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1833,1842,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 8 LYS  HB3   122 TYR  CZ      5.48
 &rst iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 10 ALA  MB    122 TYR  CG      5.56
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1833,1842,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 10 ALA  MB    122 TYR  CZ      5.41
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 149, 150, 151,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 12 LEU  HG    120 PHE  HZ      4.00
 &rst iat= 176,1810, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 15 VAL  MG2   120 PHE  HZ      4.00
 &rst iat=  -1,1810, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 21 LYS  HN     41 VAL  MG1     5.00
 &rst iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 621, 622, 623,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 22 ASP  QPB    57 HISP HD      5.18
 &rst iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 347, 348,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 31 VAL  MG1    57 HISP HD      5.24
 &rst iat=  -1, 862, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 466, 467, 468,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 31 VAL  MG2    59 LYS  HN      5.00
 &rst iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 470, 471, 472,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 36 LYS  HA     70 ALA  HN      5.00
 &rst iat= 531,1050, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 39 HISP HD     39 HISP HA      4.00
 &rst iat= 595, 583, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 39 HISP HA     40 VAL  MG2     5.00
 &rst iat= 583,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 609, 610, 611,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 39 HISP HA     73 ASP  HB2     4.00
 &rst iat= 583,1094, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 39 HISP HD     73 ASP  HB2     5.00
 &rst iat= 595,1094, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 39 HISP HD     75 THR  HB      5.00
 &rst iat= 595,1123, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 42 ALA  MB     87 PHE  HZ      5.00
 &rst iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 43 ALA  HA     77 ILE  MD      5.00
 &rst iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 45 VAL  MG1    51 PHE  CG      5.30
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 759, 767,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 45 VAL  MG2    51 PHE  CG      5.64
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 759, 767,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 45 VAL  MG2    85 HISP HE      5.00
 &rst iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 46 LEU  HB3    49 PHE  CZ      5.84
 &rst iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 727, 731,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 51 PHE  HZ     85 HISP HE      5.00
 &rst iat= 763,1280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 51 PHE  HZ    143 HISP HE      5.00
 &rst iat= 763,2165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 54 PHE  CG     87 PHE  HA      5.91
 &rst iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  HZ    138 CYS  HB3     4.00
 &rst iat= 808,2092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 54 PHE  HZ    138 CYS  HN      5.09
 &rst iat= 808,2087, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
## 54 PHE  CG    148 MET  HB3     5.72 3/25/96.
## &rst iat=  -1,2219, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
## igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG    148 MET  QPG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG    149 PHE  HB2     5.45
 &rst iat=  -1,2237, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 57 HISP HD     57 HISP QPB     5.22
 &rst iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 852, 853,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 61 ASN  HB2   149 PHE  CG      5.57
 &rst iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2241,2249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 66 ILE  MD    127 TRP  HE      5.00
 &rst iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 66 ILE  MD    127 TRP  HZ3     5.00
 &rst iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1013,1014,1015,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 67 PRO  QPD    70 ALA  HN      5.00
 &rst iat=  -1,1050, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 70 ALA  HN    129 PRO  QPD     5.65
 &rst iat=1050,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1950,1951,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 71 THR  HA    128 HISP HD      5.00
 &rst iat=1062,1945, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 72 VAL  HB    127 TRP  HD      5.00
 &rst iat=1078,1915, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 72 VAL  HB    127 TRP  HE      4.00
 &rst iat=1078,1926, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 72 VAL  MG1   127 TRP  HE      4.00
 &rst iat=  -1,1926, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 72 VAL  MG1   127 TRP  HZ3     5.00
 &rst iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1080,1081,1082,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 72 VAL  MG2   127 TRP  HZ3     5.00
 &rst iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 72 VAL  HN    128 HISP HD      5.76
 &rst iat=1074,1945, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,  &end
#
# 76 PHE  CG     76 PHE  HZ      5.00
 &rst iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 76 PHE  HA     77 ILE  QPG     5.00
 &rst iat=1135,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 76 PHE  HN    122 TYR  HA      5.00
 &rst iat=1133,1827, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 77 ILE  MD    122 TYR  HA      5.00
 &rst iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 77 ILE  QPG   122 TYR  HA      4.00
 &rst iat=  -1,1827, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 79 THR  HB    120 PHE  HZ      5.50
 &rst iat=1190,1810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 79 THR  MG    120 PHE  HZ      5.00
 &rst iat=  -1,1810, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1192,1193,1194,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 83 PHE  HB2    85 HISP HE      5.00
 &rst iat=1247,1280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 83 PHE  CG    140 ILE  MD      5.49
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=1251,1259,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 83 PHE  HB3   143 HISP HE      5.00 3/25/96.
## &rst iat=1248,2165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 85 HISP HA    111 PHE  CZ      6.93
 &rst iat=1272,  -1, r1= 1.30, r2= 1.80, r3= 7.71, r4= 8.21,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 85 HISP HE    143 HISP HE      5.00 3/25/96.
## &rst iat=1280,2165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
## 85 HISP HE    148 MET  HB3     5.50 3/25/96.
## &rst iat=1280,2219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 86 SER  HA     87 PHE  HN      5.00
 &rst iat=1290,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 SER  HB2    87 PHE  HN      5.00
 &rst iat=1292,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 86 SER  HB3    87 PHE  HN      5.00
 &rst iat=1293,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 PHE  CG     87 PHE  HZ      5.54
 &rst iat=  -1,1311, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HN     87 PHE  HA      5.00
 &rst iat=1299,1301, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 PHE  HN     87 PHE  HB2     3.70
 &rst iat=1299,1303, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 87 PHE  HN     87 PHE  HB3     5.00
 &rst iat=1299,1304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 PHE  HN     87 PHE  CG      5.14
 &rst iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CZ     89 ILE  MD      5.89
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HZ     89 ILE  MD      5.21
 &rst iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HZ     89 ILE  QPG     5.06
 &rst iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CG    109 THR  MG      6.73
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.34, r4= 8.84,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HN    109 THR  MG      5.00
 &rst iat=1299,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CZ    125 PHE  HZ      5.85
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HA    138 CYS  HN      5.00
 &rst iat=1301,2087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 89 ILE  MD    125 PHE  HZ      5.00
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 89 ILE  MG    125 PHE  HZ      5.00 3/25/96.
## &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
## igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 89 ILE  MG    127 TRP  HH      5.00
 &rst iat=  -1,1922, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 89 ILE  MG    127 TRP  HZ2     5.00
 &rst iat=  -1,1920, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 89 ILE  MG    127 TRP  HZ3     5.24
 &rst iat=  -1,1924, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 90 THR  HB    107 ALA  HN      5.00
 &rst iat=1355,1621, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 94 PRO  QPB   149 PHE  HZ      5.00
 &rst iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1423,1424,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 94 PRO  QPG   149 PHE  HZ      5.50
 &rst iat=  -1,2245, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  CG    145 ALA  HA      5.47
 &rst iat=  -1,2185, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  CZ    149 PHE  HB3     5.31
 &rst iat=  -1,2238, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1454,1459,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 105 ILE  MG    107 ALA  HN      4.00
 &rst iat=  -1,1621, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1592,1593,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  HN    107 ALA  MB      5.00
 &rst iat=1621,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  MB    125 PHE  CG      5.56
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  MB    125 PHE  CZ      5.56
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 109 THR  MG    125 PHE  HZ      4.00
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 111 PHE  CG    111 PHE  HA      5.00
 &rst iat=  -1,1661, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1667,1675,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 111 PHE  HZ    139 GLN  HB2     4.00
 &rst iat=1671,2103, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 111 PHE  HZ    139 GLN  HB3     4.00
 &rst iat=1671,2104, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 111 PHE  HZ    140 ILE  HA      5.00
 &rst iat=1671,2118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 122 TYR  HA    122 TYR  HB2     4.00
 &rst iat=1827,1829, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 122 TYR  HA    122 TYR  HB3     4.00
 &rst iat=1827,1830, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 125 PHE  CG    127 TRP  HB3     5.52
 &rst iat=  -1,1912, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HD    127 TRP  HA      4.00
 &rst iat=1915,1909, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 127 TRP  HD    127 TRP  HB2     5.00
 &rst iat=1915,1911, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 127 TRP  HD    127 TRP  HB3     4.00
 &rst iat=1915,1912, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 127 TRP  HZ3   127 TRP  HH      4.00
 &rst iat=1924,1922, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 127 TRP  HZ3   127 TRP  HZ2     5.00
 &rst iat=1924,1920, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 127 TRP  HH    134 TYR  CG      5.34
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ3   134 TYR  CZ      5.35
 &rst iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2018,2023,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HE    152 ILE  MG      5.04
 &rst iat=1926,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HH    152 ILE  MG      4.00
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ3   152 ILE  MD      4.00
 &rst iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ3   152 ILE  MG      4.00
 &rst iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CG    134 TYR  HN      5.31
 &rst iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  HA    135 TYR  CG      5.96
 &rst iat=2010,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2037,2046,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CG    152 ILE  HB      5.57
 &rst iat=  -1,2286, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CG    152 ILE  MG      5.09
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2288,2289,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CZ    154 VAL  HB      5.36
 &rst iat=  -1,2321, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=2018,2023,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CZ    154 VAL  MG1     5.54
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1=2018,2023,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2323,2324,2325,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 134 TYR  CZ    154 VAL  MG2     5.13
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1=2018,2023,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 135 TYR  CZ    151 LYS  QPG     6.94
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.33, r4= 8.83,
 igr1=2039,2044,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2267,2268,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  HA    138 CYS  HN      5.00
 &rst iat=2073,2087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 CYS  HN    138 CYS  HB2     5.00
 &rst iat=2087,2091, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 CYS  HN    138 CYS  HB3     5.00
 &rst iat=2087,2092, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 138 CYS  HN    144 ALA  MB      5.00
 &rst iat=2087,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 138 CYS  HN    148 MET  QPG     5.00
 &rst iat=2087,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  HB    143 HISP HD      5.00
 &rst iat=2120,2169, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 140 ILE  HB    143 HISP HE      5.00
 &rst iat=2120,2165, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
## 140 ILE  QPG   143 HISP HE      5.00 3/25/96.
## &rst iat=  -1,2165, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
## igr1=2126,2127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MG    143 HISP HD      4.00
 &rst iat=  -1,2169, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 140 ILE  MG    143 HISP HE      5.00
 &rst iat=  -1,2165, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 143 HISP HD    143 HISP HA      4.00
 &rst iat=2169,2158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 146 THR  HN    146 THR  MG      5.00
 &rst iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2199,2200,2201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 120 PHE  HE      81 LYS  HA     5.00 3/25/96.
## &rst iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
## igr1=1808,1812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 107 ALA  HN     90 THR  HB     5.00
 &rst iat=1621,1355, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 107 ALA  HN     106 VAL  HA     5.00
 &rst iat=1621,1607, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 143 HISP HE      140 ILE  MG      5.00
 &rst iat=2165,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2122,2123,2124,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 143 HISP HE      140 ILE  MD      5.00
 &rst iat=2165,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  HE      148 MET  QPG    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 806, 810,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  HE      94 PRO  QPD    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1454,1459,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1417,1418,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 51 PHE  HE      45 VAL  HB     5.00 3/25/96.
## &rst iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
## igr1= 761, 765,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  HE      135 TYR  HB2     5.00
 &rst iat=  -1,2033, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1454,1459,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 59 LYS  HN     58 ASP  HA     5.00
 &rst iat= 879, 868, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 111 PHE  HE      140 ILE  MD      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 111 PHE  HE      86 SER  HB3     5.00
 &rst iat=  -1,1293, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 111 PHE  HE      140 ILE  HA     5.00
 &rst iat=  -1,2118, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 120 PHE  HZ     47 PRO  QPG    5.00
 &rst iat=1810,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 700, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 120 PHE  HZ     12 LEU  HB2     5.00
 &rst iat=1810, 173, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 7 TRP  HZ2     109 THR  HB     5.00
 &rst iat=  96,1642, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 120 PHE  HZ     47 PRO  QPG    5.00
 &rst iat=1810,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 700, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  HD      149 PHE  HB3     5.00
 &rst iat=  -1,2238, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 51 PHE  HD      52 CPRO HA     5.00
 &rst iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 759, 767,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  HD      149 PHE  HB3     5.00
 &rst iat=  -1,2238, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 85 HISP HE      83 PHE  HB3     5.00
 &rst iat=1280,1248, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
## 85 HISP HE      148 MET  QPG    5.00 3/25/96.
## &rst iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
## igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 33 TYR  HD      67 PRO  QPD    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1020,1021,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2     125 PHE  HZ     5.00
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 89 ILE  QPG     125 PHE  HZ     5.00
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  HE      137 VAL  MG1     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1454,1459,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HE      72 VAL  MG2     5.00
 &rst iat=1926,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 125 PHE  HD      107 ALA  MB     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1625,1626,1627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 125 PHE  HZ     89 ILE  HB     5.00
 &rst iat=1885,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 143 HISP HE      140 ILE  MD      5.00
 &rst iat=2165,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2129,2130,2131,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 125 PHE  HZ     89 ILE  QPG     5.00
 &rst iat=1885,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 125 PHE  HE     89 ILE  QPG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 138 CYS  HN     148 MET  QPG    5.00
 &rst iat=2087,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HD      109 THR  MG      5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HD      88 ASP  HA     5.00
 &rst iat=  -1,1321, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 138 CYS  HN     148 MET  HB2     5.00
 &rst iat=2087,2218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 87 PHE  HD      89 ILE  QPG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ3     129 PRO  QPG    5.00
 &rst iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HZ3     154 VAL  MG2     5.00
 &rst iat=1924,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2327,2328,2329,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  HD      96 TYR  HA     5.00
 &rst iat=  -1,1446, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HE      89 ILE  QPG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HH      89 ILE  MG      5.00
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1338,1339,1340,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HE      89 ILE  QPG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 54 PHE  HZ     148 MET  HB2     5.00 3/25/96.
## &rst iat= 808,2218, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 127 TRP  HH      152 ILE  QPG     5.00
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2292,2293,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 127 TRP  HH      129 PRO  QPB    5.00
 &rst iat=1922,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 15 VAL  HB     77 ILE  MD   5.50
 &rst iat= 223,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 40 VAL  HB     74 VAL  MG1  5.00
 &rst iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1109,1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 40 VAL  HB     74 VAL  MG2  5.00
 &rst iat= 603,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 40 VAL  HN     74 VAL  MG2  5.00
 &rst iat= 599,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 40 VAL  HN     74 VAL  HA   5.00
 &rst iat= 599,1105, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 40 VAL  MG2    74 VAL  MG2  5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 609, 610, 611,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 43 ALA  MB     77 ILE  MG   5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 645, 646, 647,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1159,1160,1161,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 72 VAL  MG2    73 ASP  HN   5.00
 &rst iat=  -1,1090, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1084,1085,1086,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 73 ASP  HB2   126 THR  MG   5.00
 &rst iat=1094,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1899,1900,1901,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  HA     74 VAL  MG1  5.00
 &rst iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1109,1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  HA     74 VAL  MG2  5.00
 &rst iat=1105,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  HB    125 PHE  CG   5.00
 &rst iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  HB    125 PHE  CZ   5.00
 &rst iat=1107,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  HN    125 PHE  CG   5.00
 &rst iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG1    74 VAL  HB   5.00
 &rst iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1109,1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG1    74 VAL  HN   5.00
 &rst iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1109,1110,1111,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2    74 VAL  HB   5.00
 &rst iat=  -1,1107, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2    74 VAL  HN   5.00
 &rst iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2   125 PHE  CZ   5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2   125 PHE  HZ   5.50
 &rst iat=  -1,1885, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2    75 THR  HN   5.00
 &rst iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2   125 PHE  HN   5.50
 &rst iat=  -1,1873, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 75 THR  HA     75 THR  MG   5.00
 &rst iat=1121,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,1127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 75 THR  HB     75 THR  MG   5.00
 &rst iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,1127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 77 ILE  HB     77 ILE  MG   5.00
 &rst iat=1157,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1159,1160,1161,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 77 ILE  MD     77 ILE  QPG  5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1166,1167,1168,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 77 ILE  MG     77 ILE  QPG  5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1159,1160,1161,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1163,1164,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 78 ASN  HA     78 ASN  HB2  5.00
 &rst iat=1174,1176, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 78 ASN  HA     78 ASN  HB3  5.00
 &rst iat=1174,1177, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 79 THR  HA     79 THR  MG   5.00
 &rst iat=1188,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1192,1193,1194,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 79 THR  HB     79 THR  MG   5.00
 &rst iat=1190,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1192,1193,1194,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 79 THR  HB    120 PHE  CG   5.00
 &rst iat=1190,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 79 THR  MG    114 VAL  HA   5.00
 &rst iat=  -1,1706, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1192,1193,1194,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  8 LYS  HB2    122 TYR  CZ     5.00
 &rst iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  9 GLU  HA     122 TYR  CG     5.50
 &rst iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1833,1842,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  9 GLU  HA     122 TYR  CZ     5.50
 &rst iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 10 ALA  HA     122 TYR  CZ     5.50
 &rst iat= 147,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 12 LEU  HA     120 PHE  CG     5.00
 &rst iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 15 VAL  MG1    120 PHE  CG     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr1= 225, 226, 227,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 15 VAL  MG2    120 PHE  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 229, 230, 231,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 18 MET  ME     122 TYR  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1833,1842,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 18 MET  ME     122 TYR  CZ     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 280, 281, 282,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1835,1840,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 33 TYR  CG      33 TYR  QPB    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 494, 495,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 33 TYR  CG      38 VAL  MG2    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 575, 576, 577,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 33 TYR  CG      66 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 498, 507,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1010,1011,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 49 PHE  CG      50 PRO  QPD    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 725, 733,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 738, 739,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 49 PHE  CG      55 GLU  QPG    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 725, 733,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 823, 824,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 49 PHE  CZ      55 GLU  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 727, 731,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 823, 824,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 51 PHE  CG      51 PHE  QPB    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 759, 767,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 755, 756,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 51 PHE  CZ      83 PHE  CZ     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 761, 765,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1253,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 51 PHE  HZ      83 PHE  CZ     5.00
 &rst iat= 763,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1253,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 51 PHE  CZ      85 HISP HE     5.50
 &rst iat=  -1,1280, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 761, 765,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG      61 ASN  HA     5.50
 &rst iat=  -1, 925, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG     136 TYR  CG     6.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.46, r4= 7.96,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2058,2067,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG     136 TYR  CZ     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2060,2065,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG     138 CYS  HN     6.00
 &rst iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CZ     138 CYS  HN     5.00
 &rst iat=  -1,2087, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 806, 810,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG     148 MET  HA     5.00
 &rst iat=  -1,2216, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG     148 MET  QPG    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2221,2221,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 54 PHE  CG     149 PHE  HA     5.00
 &rst iat=  -1,2235, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 804, 812,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 59 LYS  HN      59 LYS  QPG    5.00
 &rst iat= 879,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 886, 887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 61 ASN  HB2    136 TYR  CZ     5.50
 &rst iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2060,2065,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 74 VAL  MG2     87 PHE  CZ     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1113,1114,1115,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 83 PHE  CZ     143 HISP HE     5.50
 &rst iat=  -1,2165, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=1253,1257,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 86 SER  HA     111 PHE  CG     5.00
 &rst iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1667,1675,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 86 SER  HB2    111 PHE  CG     5.00
 &rst iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1667,1675,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 86 SER  HB3    111 PHE  CG     5.50
 &rst iat=1293,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1667,1675,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CG      89 ILE  MD     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CG      89 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CZ      89 ILE  QPG    5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1342,1343,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CG     125 PHE  CZ     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CZ     125 PHE  CZ     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1883,1887,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CZ     136 TYR  QPB    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1309,1313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2054,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  CG     136 TYR  QPB    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1307,1315,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2054,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 87 PHE  HZ     136 TYR  QPB    5.00
 &rst iat=1311,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2054,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 89 ILE  MD     125 PHE  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1345,1346,1347,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1881,1889,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 91 LYS  QPG    134 TYR  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1372,1373,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2016,2025,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 93 GLY  HA2    135 TYR  CG     5.00
 &rst iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2037,2046,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 94 PRO  QPD    135 TYR  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1417,1418,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2037,2046,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  CZ     137 VAL  MG1    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1454,1459,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 96 TYR  CG     144 ALA  MB     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1452,1461,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2177,2178,2179,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 111 PHE  CZ    140 ILE  QPG    5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1669,1673,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2126,2127,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  QPB   120 PHE  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1727,1728,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 115 PRO  QPG   120 PHE  CG     5.50
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1724,1725,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1806,1814,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 129 PRO  QPB   134 TYR  CZ     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1956,1957,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2018,2023,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 137 VAL  MG1   149 PHE  CG     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2077,2078,2079,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2241,2249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 149 PHE  CG    150 GLY  HA2    5.00
 &rst iat=  -1,2255, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=2241,2249,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 136 TYR  CG    150 GLY  HA2    5.50
 &rst iat=  -1,2255, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=2058,2067,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 136 TYR  CG    152 ILE  MD     5.00
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2058,2067,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2295,2296,2297,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  MB     76 PHE  CG      6.35
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB     76 PHE  CZ      5.64
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB     76 PHE  HZ      4.00
 &rst iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 PHE  HZ     76 PHE  HZ      4.00
 &rst iat= 808,1145, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 PHE  HZ     78 ASN  HB3     4.00
 &rst iat=1145,1177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 PHE  CZ     85 HISP  HB3     5.70
 &rst iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CZ     86 SER  HA      6.16
 &rst iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CG     87 PHE  HB2     5.13
 &rst iat=  -1,1303, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  HZ     87 PHE  HA      4.00
 &rst iat=1145,1301, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 PHE  CG    109 THR  MG      5.63
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
##  76 PHE  CG    112 SER  HB2     5.53 3/25/96.
## &rst iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
## igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
## igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CG    123 THR  MG      5.31
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CZ    148 MET  ME      5.62
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  42 ALA  MB     76 PHE  CG      6.35
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.91, r4= 8.41,
 igr1= 635, 636, 637,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB     76 PHE  CZ      5.64
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  44 ALA  MB     76 PHE  HZ      4.00
 &rst iat=  -1,1145, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 655, 656, 657,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  54 PHE  HZ     76 PHE  HZ      4.00
 &rst iat= 808,1145, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 PHE  HZ     78 ASN  HB3     4.00
 &rst iat=1145,1177, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 PHE  CZ     85 HISP  HB3     5.70
 &rst iat=  -1,1275, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CZ     86 SER  HA      6.16
 &rst iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 6.87, r4= 7.37,
 igr1=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CG     87 PHE  HB2     5.13
 &rst iat=  -1,1303, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  HZ     87 PHE  HA      4.00
 &rst iat=1145,1301, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  76 PHE  CG    109 THR  MG      5.63
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1644,1645,1646,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CG    112 SER  HB2     5.53
 &rst iat=  -1,1683, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CG    123 THR  MG      5.31
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1=1141,1149,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1852,1853,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 PHE  CZ    148 MET  ME      5.62
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1143,1147,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2227,2228,2229,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## added 4/10/96 to correct phi angles of V45 and F51.
# 45 VAL  MG1     51 PHE  HA   4.0
 &rst iat=  -1, 753, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 45 VAL  MG1     51 PHE  QB   4.0
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 667, 668, 669,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 755, 756,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 45 VAL  MG2     80 ASN  HB2  4.0
 &rst iat=  -1,1204, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
# 45 VAL  MG2     51 PHE  HD   4.0
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 671, 672, 673,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 759, 767,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
## 51 PHE  HZ      85 HISP HN   4.0 4/10/96.
## &rst iat= 763,1270, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
# 45 VAL PHI:  (44 ALA C)-(45 VAL N)-(45 VAL CA)-(45 VAL C) +30.0 +90.0
 &rst     iat =  658,  660,  662,  674,
          r1 = +20.0, r2 = +30.0, r3 = +90.0, r4 =  100.0,      &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLY   1          H         GLY   1  -3.201  -6.700  14.701
    2   1HA   GLY   1          HA2       GLY   1  -2.692  -6.836  17.277
    3   2HA   GLY   1          HA3       GLY   1  -3.805  -8.219  17.183
    4    H    THR   2          H         THR   2  -3.219  -9.387  14.806
    5    HA   THR   2          HA        THR   2  -0.735 -10.825  15.161
    6    HB   THR   2          HB        THR   2  -1.553 -11.479  12.718
    7    HG1  THR   2          HG1       THR   2  -3.783 -10.928  12.452
    8   1HG2  THR   2          HG21      THR   2  -3.383 -11.964  15.125
    9   2HG2  THR   2          HG22      THR   2  -3.334 -12.941  13.641
   10   3HG2  THR   2          HG23      THR   2  -1.935 -12.912  14.728
   11    H    LEU   3          H         LEU   3  -2.061  -8.807  12.670
   12    HA   LEU   3          HA        LEU   3   0.497  -7.352  12.100
   13   1HB   LEU   3          HB2       LEU   3  -1.599  -8.563  10.316
   14   2HB   LEU   3          HB3       LEU   3  -0.961  -7.012   9.821
   15    HG   LEU   3          HG        LEU   3   1.208  -7.811   9.507
   16   1HD1  LEU   3          HD12      LEU   3   0.483 -10.353  11.002
   17   2HD1  LEU   3          HD13      LEU   3   1.952 -10.132  10.026
   18   3HD1  LEU   3          HD11      LEU   3   1.704  -9.122  11.443
   19   1HD2  LEU   3          HD23      LEU   3  -0.474  -8.511   7.816
   20   2HD2  LEU   3          HD21      LEU   3   0.905  -9.619   7.893
   21   3HD2  LEU   3          HD22      LEU   3  -0.642 -10.072   8.642
   22    H    ASP   4          H         ASP   4  -0.335  -5.182  10.911
   23    HA   ASP   4          HA        ASP   4  -1.617  -3.771  13.043
   24   1HB   ASP   4          HB2       ASP   4   0.162  -2.834  11.526
   25   2HB   ASP   4          HB3       ASP   4  -1.060  -2.743  10.241
   26    HD1  ASP   4          HD        ASP   4  -2.873  -0.303  12.132
   27    H    THR   5          H         THR   5  -3.764  -3.591  13.412
   28    HA   THR   5          HA        THR   5  -5.701  -4.101  11.224
   29    HB   THR   5          HB        THR   5  -7.068  -4.766  13.341
   30    HG1  THR   5          HG1       THR   5  -5.393  -5.420  15.001
   31   1HG2  THR   5          HG22      THR   5  -4.575  -6.374  12.581
   32   2HG2  THR   5          HG23      THR   5  -5.976  -6.995  13.457
   33   3HG2  THR   5          HG21      THR   5  -6.152  -6.445  11.785
   34    H    THR   6          H         THR   6  -4.492  -1.416  11.737
   35    HA   THR   6          HA        THR   6  -6.517   0.074  13.201
   36    HB   THR   6          HB        THR   6  -4.269   1.245  11.460
   37    HG1  THR   6          HG1       THR   6  -4.297   0.414  14.174
   38   1HG2  THR   6          HG23      THR   6  -5.829   2.228  13.906
   39   2HG2  THR   6          HG21      THR   6  -4.496   3.082  13.090
   40   3HG2  THR   6          HG22      THR   6  -6.039   2.826  12.253
   41    H    TRP   7          H         TRP   7  -8.128  -1.072  11.804
   42    HA   TRP   7          HA        TRP   7  -8.563  -0.233   9.047
   43   1HB   TRP   7          HB2       TRP   7 -10.457  -1.596  11.025
   44   2HB   TRP   7          HB3       TRP   7 -10.584  -1.613   9.275
   45    HD1  TRP   7          HD1       TRP   7 -10.678  -4.148  11.135
   46    HE1  TRP   7          HE1       TRP   7  -9.163  -6.123  10.591
   47    HE3  TRP   7          HE3       TRP   7  -6.919  -1.659   8.716
   48    HZ2  TRP   7          HZ2       TRP   7  -6.704  -6.586   9.107
   49    HZ3  TRP   7          HZ3       TRP   7  -5.146  -2.931   7.553
   50    HH2  TRP   7          HH2       TRP   7  -5.061  -5.391   7.726
   51    H    LYS   8          H         LYS   8  -9.950   1.410   8.306
   52    HA   LYS   8          HA        LYS   8 -12.154   2.310   9.995
   53   1HB   LYS   8          HB2       LYS   8  -9.981   4.172   8.892
   54   2HB   LYS   8          HB3       LYS   8 -11.496   4.725   9.630
   55   1HG   LYS   8          HG2       LYS   8 -10.823   3.735  11.786
   56   2HG   LYS   8          HG3       LYS   8  -9.272   3.229  11.100
   57   1HD   LYS   8          HD2       LYS   8 -10.162   6.134  11.076
   58   2HD   LYS   8          HD3       LYS   8  -9.279   5.406  12.429
   59   1HE   LYS   8          HE2       LYS   8  -7.408   4.789  10.954
   60   2HE   LYS   8          HE3       LYS   8  -8.256   5.451   9.553
   61   1HZ   LYS   8          HZ3       LYS   8  -8.220   7.590  10.649
   62   2HZ   LYS   8          HZ1       LYS   8  -7.347   6.959  11.895
   63   3HZ   LYS   8          HZ2       LYS   8  -6.702   7.010  10.375
   64    H    GLU   9          H         GLU   9 -13.492   3.984   8.553
   65    HA   GLU   9          HA        GLU   9 -12.898   3.635   5.737
   66   1HB   GLU   9          HB2       GLU   9 -15.780   3.251   6.387
   67   2HB   GLU   9          HB3       GLU   9 -14.864   2.984   4.898
   68   1HG   GLU   9          HG2       GLU   9 -15.456   0.813   5.814
   69   2HG   GLU   9          HG3       GLU   9 -13.737   0.991   6.166
   70    HE2  GLU   9          HE        GLU   9 -14.360   0.349   9.470
   71    H    ALA  10          H         ALA  10 -13.122   5.486   4.697
   72    HA   ALA  10          HA        ALA  10 -14.544   7.805   5.947
   73   1HB   ALA  10          HB3       ALA  10 -12.057   8.001   5.449
   74   2HB   ALA  10          HB1       ALA  10 -12.440   7.755   3.728
   75   3HB   ALA  10          HB2       ALA  10 -13.082   9.165   4.626
   76    H    THR  11          H         THR  11 -14.651   9.136   3.273
   77    HA   THR  11          HA        THR  11 -16.213   7.284   1.601
   78    HB   THR  11          HB        THR  11 -17.997   8.837   1.283
   79    HG1  THR  11          HG1       THR  11 -16.476  10.531   2.987
   80   1HG2  THR  11          HG21      THR  11 -18.232   7.389   3.289
   81   2HG2  THR  11          HG22      THR  11 -17.551   8.687   4.295
   82   3HG2  THR  11          HG23      THR  11 -19.081   8.936   3.441
   83    H    LEU  12          H         LEU  12 -16.583   8.391  -0.576
   84    HA   LEU  12          HA        LEU  12 -14.308   8.595  -1.914
   85   1HB   LEU  12          HB2       LEU  12 -16.515   8.453  -2.899
   86   2HB   LEU  12          HB3       LEU  12 -16.811  10.162  -2.651
   87    HG   LEU  12          HG        LEU  12 -14.283   9.435  -4.114
   88   1HD1  LEU  12          HD11      LEU  12 -17.038   9.118  -5.375
   89   2HD1  LEU  12          HD12      LEU  12 -15.490   9.104  -6.246
   90   3HD1  LEU  12          HD13      LEU  12 -15.857   7.821  -5.081
   91   1HD2  LEU  12          HD22      LEU  12 -14.958  11.825  -3.803
   92   2HD2  LEU  12          HD23      LEU  12 -14.926  11.368  -5.509
   93   3HD2  LEU  12          HD21      LEU  12 -16.477  11.494  -4.658
   94    HA   PRO  13          HA        PRO  13 -13.798  13.355  -1.850
   95   1HB   PRO  13          HB2       PRO  13 -14.679  14.690   0.473
   96   2HB   PRO  13          HB3       PRO  13 -15.493  14.668  -1.115
   97   1HG   PRO  13          HG2       PRO  13 -16.013  12.863   1.260
   98   2HG   PRO  13          HG3       PRO  13 -17.212  13.716   0.245
   99   1HD   PRO  13          HD2       PRO  13 -16.722  11.146  -0.179
  100   2HD   PRO  13          HD3       PRO  13 -16.796  12.232  -1.587
  101    H    GLN  14          H         GLN  14 -13.627  11.397   1.167
  102    HA   GLN  14          HA        GLN  14 -11.267  12.827   2.117
  103   1HB   GLN  14          HB2       GLN  14 -12.306  10.108   2.866
  104   2HB   GLN  14          HB3       GLN  14 -10.889  10.945   3.547
  105   1HG   GLN  14          HG2       GLN  14 -12.614  11.381   5.105
  106   2HG   GLN  14          HG3       GLN  14 -12.258  12.874   4.251
  107   1HE2  GLN  14          HE21      GLN  14 -15.675  13.281   3.439
  108   2HE2  GLN  14          HE22      GLN  14 -14.113  14.019   3.733
  109    H    VAL  15          H         VAL  15 -11.915  10.219  -0.202
  110    HA   VAL  15          HA        VAL  15  -9.201   9.205  -0.262
  111    HB   VAL  15          HB        VAL  15 -11.187   9.224  -2.570
  112   1HG1  VAL  15          HG13      VAL  15  -8.813   7.449  -1.879
  113   2HG1  VAL  15          HG11      VAL  15  -9.936   7.191  -3.233
  114   3HG1  VAL  15          HG12      VAL  15  -8.904   8.625  -3.200
  115   1HG2  VAL  15          HG22      VAL  15 -10.891   7.192  -0.318
  116   2HG2  VAL  15          HG23      VAL  15 -12.310   8.215  -0.609
  117   3HG2  VAL  15          HG21      VAL  15 -11.845   7.016  -1.814
  118    H    LYS  16          H         LYS  16 -11.061  11.628  -2.137
  119    HA   LYS  16          HA        LYS  16  -8.914  12.544  -3.758
  120   1HB   LYS  16          HB2       LYS  16 -11.269  14.167  -2.714
  121   2HB   LYS  16          HB3       LYS  16 -10.187  14.589  -4.051
  122   1HG   LYS  16          HG2       LYS  16 -10.864  12.329  -5.105
  123   2HG   LYS  16          HG3       LYS  16 -12.186  12.289  -3.932
  124   1HD   LYS  16          HD2       LYS  16 -11.644  14.480  -5.999
  125   2HD   LYS  16          HD3       LYS  16 -12.866  13.208  -6.132
  126   1HE   LYS  16          HE2       LYS  16 -14.014  14.098  -4.106
  127   2HE   LYS  16          HE3       LYS  16 -12.817  15.405  -4.005
  128   1HZ   LYS  16          HZ1       LYS  16 -14.641  14.920  -6.251
  129   2HZ   LYS  16          HZ2       LYS  16 -14.799  16.096  -5.109
  130   3HZ   LYS  16          HZ3       LYS  16 -13.530  16.134  -6.159
  131    H    ALA  17          H         ALA  17 -10.026  13.733  -0.550
  132    HA   ALA  17          HA        ALA  17  -8.098  15.697  -0.106
  133   1HB   ALA  17          HB1       ALA  17 -10.018  15.208   1.396
  134   2HB   ALA  17          HB2       ALA  17  -9.192  13.756   1.993
  135   3HB   ALA  17          HB3       ALA  17  -8.483  15.353   2.272
  136    H    MET  18          H         MET  18  -7.821  12.259   0.951
  137    HA   MET  18          HA        MET  18  -5.184  12.438   1.906
  138   1HB   MET  18          HB2       MET  18  -6.815  10.105   0.918
  139   2HB   MET  18          HB3       MET  18  -5.174   9.926   1.566
  140   1HG   MET  18          HG2       MET  18  -5.788  11.035   3.649
  141   2HG   MET  18          HG3       MET  18  -7.448  11.258   3.094
  142   1HE   MET  18          HE3       MET  18  -8.228   8.591   1.790
  143   2HE   MET  18          HE1       MET  18  -8.869   7.656   3.167
  144   3HE   MET  18          HE2       MET  18  -9.228   9.394   3.015
  145    H    LEU  19          H         LEU  19  -6.345  11.517  -1.379
  146    HA   LEU  19          HA        LEU  19  -3.827  10.969  -2.521
  147   1HB   LEU  19          HB2       LEU  19  -6.368  12.134  -3.698
  148   2HB   LEU  19          HB3       LEU  19  -4.954  11.791  -4.689
  149    HG   LEU  19          HG        LEU  19  -6.319   9.654  -2.992
  150   1HD1  LEU  19          HD13      LEU  19  -6.698  10.362  -5.938
  151   2HD1  LEU  19          HD11      LEU  19  -7.361   8.927  -5.132
  152   3HD1  LEU  19          HD12      LEU  19  -7.914  10.541  -4.655
  153   1HD2  LEU  19          HD21      LEU  19  -4.354   9.532  -5.315
  154   2HD2  LEU  19          HD22      LEU  19  -4.013   9.073  -3.631
  155   3HD2  LEU  19          HD23      LEU  19  -5.157   8.127  -4.584
  156    H    GLU  20          H         GLU  20  -5.296  14.161  -1.826
  157    HA   GLU  20          HA        GLU  20  -3.172  15.561  -3.309
  158   1HB   GLU  20          HB2       GLU  20  -4.950  16.760  -1.154
  159   2HB   GLU  20          HB3       GLU  20  -4.020  17.564  -2.417
  160   1HG   GLU  20          HG2       GLU  20  -6.692  16.229  -2.582
  161   2HG   GLU  20          HG3       GLU  20  -6.148  17.746  -3.256
  162    HE2  GLU  20          HE        GLU  20  -6.570  14.481  -3.845
  163    H    LYS  21          H         LYS  21  -3.935  14.612   0.055
  164    HA   LYS  21          HA        LYS  21  -1.554  16.009   1.097
  165   1HB   LYS  21          HB2       LYS  21  -3.639  14.267   2.470
  166   2HB   LYS  21          HB3       LYS  21  -2.319  15.138   3.251
  167   1HG   LYS  21          HG2       LYS  21  -3.371  17.232   1.904
  168   2HG   LYS  21          HG3       LYS  21  -4.803  16.203   1.898
  169   1HD   LYS  21          HD2       LYS  21  -5.007  17.583   3.823
  170   2HD   LYS  21          HD3       LYS  21  -4.510  16.000   4.448
  171   1HE   LYS  21          HE2       LYS  21  -2.127  16.842   4.551
  172   2HE   LYS  21          HE3       LYS  21  -2.668  18.391   3.902
  173   1HZ   LYS  21          HZ2       LYS  21  -3.537  17.204   6.444
  174   2HZ   LYS  21          HZ3       LYS  21  -2.448  18.427   6.269
  175   3HZ   LYS  21          HZ1       LYS  21  -4.023  18.663   5.849
  176    H    ASP  22          H         ASP  22  -0.396  14.582  -0.593
  177    HA   ASP  22          HA        ASP  22   0.807  12.251   0.881
  178   1HB   ASP  22          HB2       ASP  22  -0.726  11.368  -0.839
  179   2HB   ASP  22          HB3       ASP  22   0.027  12.401  -2.055
  180    HD1  ASP  22          HD        ASP  22   1.267   9.926   0.295
  181    H    THR  23          H         THR  23   3.050  12.298   0.955
  182    HA   THR  23          HA        THR  23   4.395  14.533  -0.388
  183    HB   THR  23          HB        THR  23   6.200  13.719   1.301
  184    HG1  THR  23          HG1       THR  23   5.299  12.536   3.011
  185   1HG2  THR  23          HG22      THR  23   4.805  15.726   1.626
  186   2HG2  THR  23          HG23      THR  23   3.504  14.723   2.307
  187   3HG2  THR  23          HG21      THR  23   5.061  14.861   3.149
  188    H    GLY  24          H         GLY  24   3.645  12.014  -1.952
  189   1HA   GLY  24          HA2       GLY  24   6.261  10.763  -2.620
  190   2HA   GLY  24          HA3       GLY  24   4.642  10.281  -3.090
  191    H    LYS  25          H         LYS  25   7.395  12.176  -3.878
  192    HA   LYS  25          HA        LYS  25   6.163  13.754  -6.014
  193   1HB   LYS  25          HB2       LYS  25   9.076  13.263  -5.248
  194   2HB   LYS  25          HB3       LYS  25   8.488  14.460  -6.415
  195   1HG   LYS  25          HG2       LYS  25   7.284  15.660  -4.630
  196   2HG   LYS  25          HG3       LYS  25   7.721  14.421  -3.453
  197   1HD   LYS  25          HD2       LYS  25   9.157  16.371  -3.190
  198   2HD   LYS  25          HD3       LYS  25  10.077  14.927  -3.614
  199   1HE   LYS  25          HE2       LYS  25  10.870  16.969  -4.789
  200   2HE   LYS  25          HE3       LYS  25  10.373  15.701  -5.911
  201   1HZ   LYS  25          HZ2       LYS  25   8.732  18.010  -5.117
  202   2HZ   LYS  25          HZ3       LYS  25   9.554  17.859  -6.538
  203   3HZ   LYS  25          HZ1       LYS  25   8.302  16.844  -6.201
  204    H    VAL  26          H         VAL  26   6.940  13.521  -8.256
  205    HA   VAL  26          HA        VAL  26   6.894  10.677  -9.040
  206    HB   VAL  26          HB        VAL  26   6.461  13.236 -10.628
  207   1HG1  VAL  26          HG11      VAL  26   6.194  10.290 -11.346
  208   2HG1  VAL  26          HG12      VAL  26   5.443  11.597 -12.288
  209   3HG1  VAL  26          HG13      VAL  26   7.200  11.501 -12.156
  210   1HG2  VAL  26          HG22      VAL  26   4.512  11.182  -9.491
  211   2HG2  VAL  26          HG23      VAL  26   4.686  12.863  -8.946
  212   3HG2  VAL  26          HG21      VAL  26   4.084  12.528 -10.571
  213    H    SER  27          H         SER  27   9.026   9.934  -8.784
  214    HA   SER  27          HA        SER  27  11.282  11.330 -10.085
  215   1HB   SER  27          HB2       SER  27  12.375   9.059  -9.420
  216   2HB   SER  27          HB3       SER  27  11.969  10.243  -8.166
  217    HG   SER  27          HG        SER  27  10.098   8.323  -8.986
  218    H    GLY  28          H         GLY  28   9.841  11.424 -12.023
  219   1HA   GLY  28          HA2       GLY  28   9.501  10.874 -14.213
  220   2HA   GLY  28          HA3       GLY  28  10.822   9.702 -14.077
  221    H    ASP  29          H         ASP  29  10.329   7.520 -13.613
  222    HA   ASP  29          HA        ASP  29   7.564   6.670 -14.265
  223   1HB   ASP  29          HB2       ASP  29   8.511   4.523 -14.646
  224   2HB   ASP  29          HB3       ASP  29   9.633   5.669 -15.399
  225    HD1  ASP  29          HD        ASP  29  11.680   5.332 -12.373
  226    H    THR  30          H         THR  30   9.947   6.718 -11.651
  227    HA   THR  30          HA        THR  30   8.481   4.800  -9.968
  228    HB   THR  30          HB        THR  30  11.088   6.332  -9.429
  229    HG1  THR  30          HG1       THR  30  10.679   3.944 -10.908
  230   1HG2  THR  30          HG22      THR  30  10.012   3.712  -8.463
  231   2HG2  THR  30          HG23      THR  30  11.688   4.263  -8.225
  232   3HG2  THR  30          HG21      THR  30  10.351   5.159  -7.487
  233    H    VAL  31          H         VAL  31   8.190   5.558  -7.536
  234    HA   VAL  31          HA        VAL  31   7.546   8.491  -7.409
  235    HB   VAL  31          HB        VAL  31   6.115   6.067  -6.391
  236   1HG1  VAL  31          HG11      VAL  31   6.504   7.431  -4.317
  237   2HG1  VAL  31          HG12      VAL  31   5.800   8.844  -5.149
  238   3HG1  VAL  31          HG13      VAL  31   4.820   7.397  -4.838
  239   1HG2  VAL  31          HG21      VAL  31   5.474   7.289  -8.468
  240   2HG2  VAL  31          HG22      VAL  31   4.177   7.258  -7.256
  241   3HG2  VAL  31          HG23      VAL  31   5.134   8.731  -7.503
  242    H    THR  32          H         THR  32   8.286   9.625  -5.609
  243    HA   THR  32          HA        THR  32  10.313   8.272  -3.907
  244    HB   THR  32          HB        THR  32  10.691  10.736  -5.662
  245    HG1  THR  32          HG1       THR  32  11.215   8.734  -6.586
  246   1HG2  THR  32          HG23      THR  32  12.415   9.763  -3.337
  247   2HG2  THR  32          HG21      THR  32  12.958  10.896  -4.590
  248   3HG2  THR  32          HG22      THR  32  11.639  11.352  -3.507
  249    H    TYR  33          H         TYR  33   9.756   8.644  -1.855
  250    HA   TYR  33          HA        TYR  33   7.984  10.908  -1.234
  251   1HB   TYR  33          HB2       TYR  33   9.028   8.563   0.353
  252   2HB   TYR  33          HB3       TYR  33   8.233   9.953   1.099
  253    HD1  TYR  33          HD2       TYR  33   7.651   7.186  -1.360
  254    HD2  TYR  33          HD1       TYR  33   5.936  10.424   0.911
  255    HE1  TYR  33          HE2       TYR  33   5.380   6.569  -2.170
  256    HE2  TYR  33          HE1       TYR  33   3.714   9.856   0.058
  257    HH   TYR  33          HH        TYR  33   2.488   8.503  -1.338
  258    H    SER  34          H         SER  34   8.498  12.376   0.577
  259    HA   SER  34          HA        SER  34  11.329  12.961   1.051
  260   1HB   SER  34          HB2       SER  34   9.496  14.780  -0.573
  261   2HB   SER  34          HB3       SER  34  11.031  15.304   0.145
  262    HG   SER  34          HG        SER  34  11.279  12.987  -1.301
  263    H    GLY  35          H         GLY  35  11.549  14.659   2.657
  264   1HA   GLY  35          HA2       GLY  35  10.898  15.849   4.531
  265   2HA   GLY  35          HA3       GLY  35   9.188  15.518   4.191
  266    H    LYS  36          H         LYS  36  10.128  15.256   6.800
  267    HA   LYS  36          HA        LYS  36  10.943  12.531   7.339
  268   1HB   LYS  36          HB2       LYS  36   9.906  14.652   9.232
  269   2HB   LYS  36          HB3       LYS  36  10.584  13.092   9.682
  270   1HG   LYS  36          HG2       LYS  36  12.692  13.813   8.294
  271   2HG   LYS  36          HG3       LYS  36  11.971  15.423   8.310
  272   1HD   LYS  36          HD2       LYS  36  13.278  15.627  10.167
  273   2HD   LYS  36          HD3       LYS  36  11.844  14.973  10.959
  274   1HE   LYS  36          HE2       LYS  36  14.336  13.427  10.053
  275   2HE   LYS  36          HE3       LYS  36  13.927  13.856  11.719
  276   1HZ   LYS  36          HZ2       LYS  36  12.351  12.083   9.999
  277   2HZ   LYS  36          HZ3       LYS  36  13.386  11.584  11.163
  278   3HZ   LYS  36          HZ1       LYS  36  12.032  12.436  11.579
  279    H    THR  37          H         THR  37   7.841  14.033   6.738
  280    HA   THR  37          HA        THR  37   6.353  11.724   7.851
  281    HB   THR  37          HB        THR  37   4.420  13.186   7.018
  282    HG1  THR  37          HG1       THR  37   5.695  14.449   5.611
  283   1HG2  THR  37          HG23      THR  37   5.207  12.963   9.340
  284   2HG2  THR  37          HG21      THR  37   6.372  14.278   9.091
  285   3HG2  THR  37          HG22      THR  37   4.624  14.620   9.013
  286    H    VAL  38          H         VAL  38   7.081  10.146   6.535
  287    HA   VAL  38          HA        VAL  38   6.697  10.362   3.578
  288    HB   VAL  38          HB        VAL  38   7.892   8.226   5.354
  289   1HG1  VAL  38          HG12      VAL  38   7.150   8.133   2.415
  290   2HG1  VAL  38          HG13      VAL  38   8.511   7.202   3.062
  291   3HG1  VAL  38          HG11      VAL  38   6.878   6.902   3.658
  292   1HG2  VAL  38          HG21      VAL  38   9.190  10.315   4.784
  293   2HG2  VAL  38          HG22      VAL  38   9.908   8.799   4.203
  294   3HG2  VAL  38          HG23      VAL  38   9.060   9.883   3.090
  295    H    HIS  39          H         HIS  39   4.507  10.942   3.821
  296    HA   HIS  39          HA        HIS  39   2.649   9.028   5.016
  297   1HB   HIS  39          HB2       HIS  39   2.385  11.464   5.316
  298   2HB   HIS  39          HB3       HIS  39   2.140  11.656   3.575
  299    HD1  HIS  39          HD1       HIS  39  -0.426  12.224   3.434
  300    HD2  HIS  39          HD2       HIS  39   0.523   8.893   5.851
  301    HE1  HIS  39          HE1       HIS  39  -2.636  11.144   4.094
  302    HE2  HIS  39          HE2       HIS  39  -2.031   9.086   5.528
  303    H    VAL  40          H         VAL  40   2.787   7.198   3.727
  304    HA   VAL  40          HA        VAL  40   2.711   7.371   0.811
  305    HB   VAL  40          HB        VAL  40   2.790   4.944   2.632
  306   1HG1  VAL  40          HG13      VAL  40   3.281   5.232  -0.364
  307   2HG1  VAL  40          HG11      VAL  40   3.562   3.762   0.594
  308   3HG1  VAL  40          HG12      VAL  40   1.919   4.379   0.392
  309   1HG2  VAL  40          HG21      VAL  40   5.022   6.417   1.180
  310   2HG2  VAL  40          HG22      VAL  40   4.787   6.297   2.936
  311   3HG2  VAL  40          HG23      VAL  40   5.185   4.853   2.002
  312    H    VAL  41          H         VAL  41   0.738   8.114   0.156
  313    HA   VAL  41          HA        VAL  41  -1.743   6.885   1.166
  314    HB   VAL  41          HB        VAL  41  -1.265   9.110  -0.832
  315   1HG1  VAL  41          HG12      VAL  41  -3.839   8.097   0.447
  316   2HG1  VAL  41          HG13      VAL  41  -3.669   9.562  -0.539
  317   3HG1  VAL  41          HG11      VAL  41  -3.406   7.976  -1.275
  318   1HG2  VAL  41          HG21      VAL  41  -2.204   9.126   2.083
  319   2HG2  VAL  41          HG22      VAL  41  -0.626   9.708   1.525
  320   3HG2  VAL  41          HG23      VAL  41  -2.095  10.547   1.040
  321    H    ALA  42          H         ALA  42  -2.211   4.951   0.322
  322    HA   ALA  42          HA        ALA  42  -1.630   4.366  -2.551
  323   1HB   ALA  42          HB2       ALA  42   0.070   3.278  -1.102
  324   2HB   ALA  42          HB3       ALA  42  -1.229   2.519  -0.156
  325   3HB   ALA  42          HB1       ALA  42  -0.995   2.082  -1.864
  326    H    ALA  43          H         ALA  43  -3.000   2.509  -3.333
  327    HA   ALA  43          HA        ALA  43  -5.411   1.931  -1.793
  328   1HB   ALA  43          HB1       ALA  43  -5.562   3.420  -4.465
  329   2HB   ALA  43          HB2       ALA  43  -6.928   2.644  -3.653
  330   3HB   ALA  43          HB3       ALA  43  -6.096   4.013  -2.893
  331    H    ALA  44          H         ALA  44  -6.774   0.315  -3.071
  332    HA   ALA  44          HA        ALA  44  -5.001  -1.454  -4.717
  333   1HB   ALA  44          HB1       ALA  44  -4.857  -2.109  -2.322
  334   2HB   ALA  44          HB2       ALA  44  -6.620  -2.339  -2.314
  335   3HB   ALA  44          HB3       ALA  44  -5.596  -3.345  -3.357
  336    H    VAL  45          H         VAL  45  -6.008  -1.648  -6.556
  337    HA   VAL  45          HA        VAL  45  -7.635  -1.641  -8.135
  338    HB   VAL  45          HB        VAL  45  -8.514  -4.080  -6.564
  339   1HG1  VAL  45          HG12      VAL  45  -9.759  -3.532  -8.703
  340   2HG1  VAL  45          HG13      VAL  45  -8.207  -3.556  -9.560
  341   3HG1  VAL  45          HG11      VAL  45  -8.829  -5.028  -8.797
  342   1HG2  VAL  45          HG22      VAL  45  -6.018  -3.746  -8.276
  343   2HG2  VAL  45          HG23      VAL  45  -6.105  -4.106  -6.533
  344   3HG2  VAL  45          HG21      VAL  45  -6.685  -5.291  -7.703
  345    H    LEU  46          H         LEU  46  -8.619   0.373  -7.229
  346    HA   LEU  46          HA        LEU  46 -11.191   0.101  -5.866
  347   1HB   LEU  46          HB2       LEU  46  -9.934   2.407  -7.431
  348   2HB   LEU  46          HB3       LEU  46 -11.383   2.543  -6.439
  349    HG   LEU  46          HG        LEU  46  -8.568   1.880  -5.439
  350   1HD1  LEU  46          HD13      LEU  46 -10.307   4.372  -5.155
  351   2HD1  LEU  46          HD11      LEU  46  -8.716   4.127  -4.409
  352   3HD1  LEU  46          HD12      LEU  46  -8.860   4.222  -6.172
  353   1HD2  LEU  46          HD22      LEU  46 -11.243   2.160  -4.030
  354   2HD2  LEU  46          HD23      LEU  46 -10.135   0.765  -3.990
  355   3HD2  LEU  46          HD21      LEU  46  -9.686   2.273  -3.183
  356    HA   PRO  47          HA        PRO  47 -13.522  -1.139  -9.353
  357   1HB   PRO  47          HB2       PRO  47 -15.935   0.206  -9.076
  358   2HB   PRO  47          HB3       PRO  47 -15.427  -1.215  -8.122
  359   1HG   PRO  47          HG2       PRO  47 -15.169   1.704  -7.364
  360   2HG   PRO  47          HG3       PRO  47 -15.824   0.369  -6.368
  361   1HD   PRO  47          HD2       PRO  47 -13.292   1.192  -6.032
  362   2HD   PRO  47          HD3       PRO  47 -13.631  -0.562  -6.060
  363    H    GLY  48          H         GLY  48 -12.450  -0.430 -11.112
  364   1HA   GLY  48          HA2       GLY  48 -13.164   1.105 -13.133
  365   2HA   GLY  48          HA3       GLY  48 -12.603   2.382 -12.031
  366    H    PHE  49          H         PHE  49 -10.559   0.959 -10.708
  367    HA   PHE  49          HA        PHE  49  -8.395   1.081 -12.686
  368   1HB   PHE  49          HB2       PHE  49  -8.462   0.555  -9.697
  369   2HB   PHE  49          HB3       PHE  49  -7.003   0.525 -10.665
  370    HD1  PHE  49          HD1       PHE  49  -9.846   2.780  -9.669
  371    HD2  PHE  49          HD2       PHE  49  -5.832   2.549 -11.220
  372    HE1  PHE  49          HE1       PHE  49  -9.539   5.199  -9.238
  373    HE2  PHE  49          HE2       PHE  49  -5.526   4.969 -10.778
  374    HZ   PHE  49          HZ        PHE  49  -7.371   6.295  -9.777
  375    HA   PRO  50          HA        PRO  50  -9.093  -3.338 -13.162
  376   1HB   PRO  50          HB2       PRO  50  -7.132  -3.998 -14.939
  377   2HB   PRO  50          HB3       PRO  50  -8.519  -2.963 -15.392
  378   1HG   PRO  50          HG2       PRO  50  -5.752  -2.064 -14.527
  379   2HG   PRO  50          HG3       PRO  50  -6.655  -1.555 -15.986
  380   1HD   PRO  50          HD2       PRO  50  -6.671  -0.081 -13.693
  381   2HD   PRO  50          HD3       PRO  50  -8.147  -0.228 -14.696
  382    H    PHE  51          H         PHE  51  -8.067  -5.370 -12.710
  383    HA   PHE  51          HA        PHE  51  -6.207  -5.398 -10.485
  384   1HB   PHE  51          HB2       PHE  51  -7.486  -7.487 -12.311
  385   2HB   PHE  51          HB3       PHE  51  -6.262  -7.963 -11.176
  386    HD1  PHE  51          HD2       PHE  51  -6.636  -7.985  -8.750
  387    HD2  PHE  51          HD1       PHE  51  -9.755  -6.828 -11.506
  388    HE1  PHE  51          HE2       PHE  51  -8.319  -8.258  -6.966
  389    HE2  PHE  51          HE1       PHE  51 -11.436  -7.138  -9.716
  390    HZ   PHE  51          HZ        PHE  51 -10.720  -7.839  -7.437
  391    HA   PRO  52          HA        PRO  52  -4.787  -7.024  -9.793
  392   1HB   PRO  52          HB2       PRO  52  -2.668  -8.609  -9.612
  393   2HB   PRO  52          HB3       PRO  52  -3.871  -8.962 -10.884
  394   1HG   PRO  52          HG2       PRO  52  -1.256  -7.452 -11.179
  395   2HG   PRO  52          HG3       PRO  52  -1.858  -8.787 -12.195
  396   1HD   PRO  52          HD2       PRO  52  -2.194  -6.050 -12.754
  397   2HD   PRO  52          HD3       PRO  52  -3.231  -7.354 -13.386
  398    H    SER  53          H         SER  53  -2.829  -4.500 -10.830
  399    HA   SER  53          HA        SER  53  -0.775  -4.594  -8.814
  400   1HB   SER  53          HB2       SER  53  -0.354  -2.276  -9.966
  401   2HB   SER  53          HB3       SER  53  -0.148  -3.766 -10.904
  402    HG   SER  53          HG        SER  53  -2.587  -2.318 -10.813
  403    H    PHE  54          H         PHE  54  -0.292  -3.007  -7.284
  404    HA   PHE  54          HA        PHE  54  -2.509  -1.819  -5.780
  405   1HB   PHE  54          HB2       PHE  54   0.511  -1.771  -5.633
  406   2HB   PHE  54          HB3       PHE  54  -0.486  -0.786  -4.537
  407    HD1  PHE  54          HD2       PHE  54  -2.518  -2.385  -3.491
  408    HD2  PHE  54          HD1       PHE  54   1.647  -3.192  -4.251
  409    HE1  PHE  54          HE2       PHE  54  -2.438  -3.846  -1.478
  410    HE2  PHE  54          HE1       PHE  54   1.690  -4.724  -2.278
  411    HZ   PHE  54          HZ        PHE  54  -0.330  -4.910  -0.817
  412    H    GLU  55          H         GLU  55  -2.980   0.368  -5.681
  413    HA   GLU  55          HA        GLU  55  -1.900   2.138  -7.792
  414   1HB   GLU  55          HB2       GLU  55  -4.140   2.495  -5.811
  415   2HB   GLU  55          HB3       GLU  55  -3.719   3.564  -7.153
  416   1HG   GLU  55          HG2       GLU  55  -4.392   1.874  -8.777
  417   2HG   GLU  55          HG3       GLU  55  -4.592   0.639  -7.523
  418    HE1  GLU  55          HE        GLU  55  -7.235   3.634  -7.882
  419    H    VAL  56          H         VAL  56  -0.476   3.782  -7.275
  420    HA   VAL  56          HA        VAL  56  -0.281   4.714  -4.436
  421    HB   VAL  56          HB        VAL  56   2.006   3.796  -6.161
  422   1HG1  VAL  56          HG12      VAL  56   2.160   5.837  -3.887
  423   2HG1  VAL  56          HG13      VAL  56   3.534   4.893  -4.484
  424   3HG1  VAL  56          HG11      VAL  56   2.762   6.059  -5.548
  425   1HG2  VAL  56          HG22      VAL  56   0.831   2.459  -4.251
  426   2HG2  VAL  56          HG23      VAL  56   2.593   2.637  -4.133
  427   3HG2  VAL  56          HG21      VAL  56   1.518   3.643  -3.147
  428    H    HIS  57          H         HIS  57  -1.775   6.134  -5.026
  429    HA   HIS  57          HA        HIS  57  -2.759   7.913  -5.883
  430   1HB   HIS  57          HB2       HIS  57  -1.647  10.013  -5.316
  431   2HB   HIS  57          HB3       HIS  57  -1.533   8.795  -4.045
  432    HD1  HIS  57          HD1       HIS  57   0.917   7.672  -3.655
  433    HD2  HIS  57          HD2       HIS  57   0.634  11.088  -6.114
  434    HE1  HIS  57          HE1       HIS  57   3.290   8.610  -3.920
  435    HE2  HIS  57          HE2       HIS  57   3.102  10.717  -5.350
  436    H    ASP  58          H         ASP  58   0.463   8.587  -7.257
  437    HA   ASP  58          HA        ASP  58  -0.846   9.729  -9.659
  438   1HB   ASP  58          HB2       ASP  58   0.945  11.022  -8.593
  439   2HB   ASP  58          HB3       ASP  58   2.075   9.669  -8.819
  440    HD1  ASP  58          HD        ASP  58   0.855  11.752 -12.053
  441    H    LYS  59          H         LYS  59   0.760   6.812  -8.620
  442    HA   LYS  59          HA        LYS  59   0.925   5.796 -11.427
  443   1HB   LYS  59          HB2       LYS  59   2.934   5.346  -9.192
  444   2HB   LYS  59          HB3       LYS  59   3.044   4.749 -10.860
  445   1HG   LYS  59          HG2       LYS  59   3.157   7.710 -10.141
  446   2HG   LYS  59          HG3       LYS  59   4.538   6.630 -10.279
  447   1HD   LYS  59          HD2       LYS  59   3.858   6.066 -12.628
  448   2HD   LYS  59          HD3       LYS  59   2.658   7.384 -12.527
  449   1HE   LYS  59          HE2       LYS  59   4.452   8.986 -12.010
  450   2HE   LYS  59          HE3       LYS  59   5.651   7.693 -11.923
  451   1HZ   LYS  59          HZ2       LYS  59   5.201   7.255 -14.256
  452   2HZ   LYS  59          HZ3       LYS  59   4.201   8.568 -14.319
  453   3HZ   LYS  59          HZ1       LYS  59   5.810   8.758 -13.977
  454    H    LYS  60          H         LYS  60   1.557   3.286 -11.062
  455    HA   LYS  60          HA        LYS  60  -0.063   2.079  -8.872
  456   1HB   LYS  60          HB2       LYS  60  -0.017   1.377 -11.804
  457   2HB   LYS  60          HB3       LYS  60  -0.726   0.336 -10.550
  458   1HG   LYS  60          HG2       LYS  60  -2.400   2.046 -10.034
  459   2HG   LYS  60          HG3       LYS  60  -1.618   3.208 -11.100
  460   1HD   LYS  60          HD2       LYS  60  -3.579   2.333 -12.202
  461   2HD   LYS  60          HD3       LYS  60  -2.119   1.872 -13.072
  462   1HE   LYS  60          HE2       LYS  60  -3.758   0.031 -12.979
  463   2HE   LYS  60          HE3       LYS  60  -2.236  -0.404 -12.204
  464   1HZ   LYS  60          HZ1       LYS  60  -4.653   0.514 -10.794
  465   2HZ   LYS  60          HZ2       LYS  60  -4.205  -1.059 -10.956
  466   3HZ   LYS  60          HZ3       LYS  60  -3.260  -0.020 -10.090
  467    H    ASN  61          H         ASN  61   1.652   1.695  -7.681
  468    HA   ASN  61          HA        ASN  61   3.870   1.280  -7.148
  469   1HB   ASN  61          HB2       ASN  61   2.442  -1.300  -7.468
  470   2HB   ASN  61          HB3       ASN  61   4.131  -1.187  -6.943
  471   1HD2  ASN  61          HD22      ASN  61   1.334   0.606  -4.533
  472   2HD2  ASN  61          HD21      ASN  61   0.938   0.403  -6.244
  473    HA   PRO  62          HA        PRO  62   6.317   0.757 -11.053
  474   1HB   PRO  62          HB2       PRO  62   7.646   3.048 -10.899
  475   2HB   PRO  62          HB3       PRO  62   6.084   2.891 -11.725
  476   1HG   PRO  62          HG2       PRO  62   6.533   4.070  -8.980
  477   2HG   PRO  62          HG3       PRO  62   5.463   4.612 -10.286
  478   1HD   PRO  62          HD2       PRO  62   4.617   3.099  -8.145
  479   2HD   PRO  62          HD3       PRO  62   3.825   3.038  -9.740
  480    H    THR  63          H         THR  63   7.129   2.486  -8.044
  481    HA   THR  63          HA        THR  63   8.278   0.610  -6.469
  482    HB   THR  63          HB        THR  63  10.220   1.579  -8.582
  483    HG1  THR  63          HG1       THR  63   9.488  -0.528  -8.498
  484   1HG2  THR  63          HG22      THR  63  10.977   1.065  -5.689
  485   2HG2  THR  63          HG23      THR  63  12.115   1.144  -7.053
  486   3HG2  THR  63          HG21      THR  63  11.207   2.592  -6.599
  487    H    LEU  64          H         LEU  64   9.238   1.700  -4.578
  488    HA   LEU  64          HA        LEU  64   8.546   4.602  -4.430
  489   1HB   LEU  64          HB2       LEU  64   8.192   2.335  -2.445
  490   2HB   LEU  64          HB3       LEU  64   8.288   4.030  -1.967
  491    HG   LEU  64          HG        LEU  64   6.401   4.579  -3.488
  492   1HD1  LEU  64          HD11      LEU  64   6.285   1.538  -3.767
  493   2HD1  LEU  64          HD12      LEU  64   4.856   2.560  -3.990
  494   3HD1  LEU  64          HD13      LEU  64   6.233   2.766  -5.055
  495   1HD2  LEU  64          HD21      LEU  64   6.121   4.262  -1.049
  496   2HD2  LEU  64          HD22      LEU  64   4.690   3.693  -1.923
  497   3HD2  LEU  64          HD23      LEU  64   5.869   2.521  -1.294
  498    H    GLU  65          H         GLU  65  10.233   5.868  -4.045
  499    HA   GLU  65          HA        GLU  65  12.702   4.764  -2.742
  500   1HB   GLU  65          HB2       GLU  65  12.365   7.499  -3.983
  501   2HB   GLU  65          HB3       GLU  65  13.856   6.713  -3.494
  502   1HG   GLU  65          HG2       GLU  65  12.039   5.797  -5.783
  503   2HG   GLU  65          HG3       GLU  65  13.527   6.726  -5.955
  504    HE1  GLU  65          HE        GLU  65  15.546   3.957  -4.962
  505    H    ILE  66          H         ILE  66  13.212   5.437  -0.666
  506    HA   ILE  66          HA        ILE  66  11.404   7.397   0.645
  507    HB   ILE  66          HB        ILE  66  12.133   4.565   1.372
  508   1HG1  ILE  66          HG12      ILE  66   9.567   6.130   0.901
  509   2HG1  ILE  66          HG13      ILE  66  10.168   4.680   0.088
  510   1HG2  ILE  66          HG21      ILE  66  12.555   5.921   3.436
  511   2HG2  ILE  66          HG22      ILE  66  10.938   6.637   3.287
  512   3HG2  ILE  66          HG23      ILE  66  11.149   4.910   3.630
  513   1HD1  ILE  66          HD11      ILE  66   9.834   3.480   2.348
  514   2HD1  ILE  66          HD12      ILE  66   8.934   4.918   2.851
  515   3HD1  ILE  66          HD13      ILE  66   8.370   3.979   1.465
  516    HA   PRO  67          HA        PRO  67  15.349   8.869   2.302
  517   1HB   PRO  67          HB2       PRO  67  14.436  10.834   3.948
  518   2HB   PRO  67          HB3       PRO  67  14.435  10.978   2.166
  519   1HG   PRO  67          HG2       PRO  67  12.126  10.175   3.947
  520   2HG   PRO  67          HG3       PRO  67  12.121  11.380   2.638
  521   1HD   PRO  67          HD2       PRO  67  11.259   8.821   2.294
  522   2HD   PRO  67          HD3       PRO  67  12.119   9.684   0.987
  523    H    ALA  68          H         ALA  68  16.279   7.418   3.650
  524    HA   ALA  68          HA        ALA  68  15.126   5.717   5.413
  525   1HB   ALA  68          HB2       ALA  68  17.458   5.567   4.574
  526   2HB   ALA  68          HB3       ALA  68  17.930   6.883   5.668
  527   3HB   ALA  68          HB1       ALA  68  17.375   5.331   6.331
  528    H    GLY  69          H         GLY  69  16.229   8.943   6.371
  529   1HA   GLY  69          HA2       GLY  69  16.006   8.437   9.203
  530   2HA   GLY  69          HA3       GLY  69  16.175  10.010   8.417
  531    H    ALA  70          H         ALA  70  13.477   8.818   6.908
  532    HA   ALA  70          HA        ALA  70  11.779  10.558   8.554
  533   1HB   ALA  70          HB2       ALA  70  11.833  10.717   6.118
  534   2HB   ALA  70          HB3       ALA  70  11.307   9.017   5.989
  535   3HB   ALA  70          HB1       ALA  70  10.224  10.230   6.686
  536    H    THR  71          H         THR  71   9.517   9.941   8.915
  537    HA   THR  71          HA        THR  71   9.190   7.209  10.065
  538    HB   THR  71          HB        THR  71   7.624   9.808  10.410
  539    HG1  THR  71          HG1       THR  71   9.679   9.564  11.479
  540   1HG2  THR  71          HG22      THR  71   7.149   7.021  11.558
  541   2HG2  THR  71          HG23      THR  71   6.426   8.509  12.211
  542   3HG2  THR  71          HG21      THR  71   6.041   7.985  10.567
  543    H    VAL  72          H         VAL  72   7.892   5.804   8.927
  544    HA   VAL  72          HA        VAL  72   6.627   6.790   6.429
  545    HB   VAL  72          HB        VAL  72   7.294   3.977   7.391
  546   1HG1  VAL  72          HG12      VAL  72   6.027   5.011   4.810
  547   2HG1  VAL  72          HG13      VAL  72   6.663   3.370   5.025
  548   3HG1  VAL  72          HG11      VAL  72   5.291   3.917   5.997
  549   1HG2  VAL  72          HG22      VAL  72   9.273   5.373   6.689
  550   2HG2  VAL  72          HG23      VAL  72   8.956   4.018   5.592
  551   3HG2  VAL  72          HG21      VAL  72   8.479   5.668   5.141
  552    H    ASP  73          H         ASP  73   4.473   6.922   6.267
  553    HA   ASP  73          HA        ASP  73   2.753   5.520   8.262
  554   1HB   ASP  73          HB2       ASP  73   2.737   8.455   7.560
  555   2HB   ASP  73          HB3       ASP  73   1.203   7.609   7.830
  556    HD1  ASP  73          HD        ASP  73   1.821   6.726  11.127
  557    H    VAL  74          H         VAL  74   1.811   3.995   7.122
  558    HA   VAL  74          HA        VAL  74   1.348   4.386   4.217
  559    HB   VAL  74          HB        VAL  74   1.105   1.946   5.983
  560   1HG1  VAL  74          HG11      VAL  74   0.769   2.323   2.966
  561   2HG1  VAL  74          HG12      VAL  74   0.864   0.750   3.782
  562   3HG1  VAL  74          HG13      VAL  74  -0.499   1.822   4.105
  563   1HG2  VAL  74          HG21      VAL  74   3.186   2.755   3.909
  564   2HG2  VAL  74          HG22      VAL  74   3.438   2.541   5.659
  565   3HG2  VAL  74          HG23      VAL  74   3.056   1.146   4.644
  566    H    THR  75          H         THR  75  -0.466   5.289   3.705
  567    HA   THR  75          HA        THR  75  -2.963   4.893   5.284
  568    HB   THR  75          HB        THR  75  -1.968   7.164   3.559
  569    HG1  THR  75          HG1       THR  75  -2.974   6.906   6.203
  570   1HG2  THR  75          HG21      THR  75  -4.794   6.682   4.620
  571   2HG2  THR  75          HG22      THR  75  -4.170   8.237   4.027
  572   3HG2  THR  75          HG23      THR  75  -4.324   6.872   2.920
  573    H    PHE  76          H         PHE  76  -3.630   2.973   4.394
  574    HA   PHE  76          HA        PHE  76  -3.673   2.584   1.448
  575   1HB   PHE  76          HB2       PHE  76  -4.896   1.154   3.843
  576   2HB   PHE  76          HB3       PHE  76  -5.493   0.808   2.258
  577    HD1  PHE  76          HD2       PHE  76  -3.212   0.657   0.473
  578    HD2  PHE  76          HD1       PHE  76  -4.054  -1.060   4.340
  579    HE1  PHE  76          HE2       PHE  76  -3.165  -1.584  -0.512
  580    HE2  PHE  76          HE1       PHE  76  -4.087  -3.298   3.329
  581    HZ   PHE  76          HZ        PHE  76  -3.759  -3.559   0.871
  582    H    ILE  77          H         ILE  77  -5.485   2.872   0.198
  583    HA   ILE  77          HA        ILE  77  -8.122   3.171   1.528
  584    HB   ILE  77          HB        ILE  77  -7.308   4.610  -1.025
  585   1HG1  ILE  77          HG12      ILE  77  -8.603   6.403   0.637
  586   2HG1  ILE  77          HG13      ILE  77  -7.785   5.423   1.834
  587   1HG2  ILE  77          HG23      ILE  77  -9.615   3.617  -1.189
  588   2HG2  ILE  77          HG21      ILE  77 -10.013   4.364   0.366
  589   3HG2  ILE  77          HG22      ILE  77  -9.656   5.358  -1.064
  590   1HD1  ILE  77          HD12      ILE  77  -5.599   5.792   0.625
  591   2HD1  ILE  77          HD13      ILE  77  -6.458   6.842  -0.526
  592   3HD1  ILE  77          HD11      ILE  77  -6.336   7.304   1.183
  593    H    ASN  78          H         ASN  78  -7.848   0.815   1.525
  594    HA   ASN  78          HA        ASN  78  -7.972  -0.482  -1.165
  595   1HB   ASN  78          HB2       ASN  78  -6.804  -2.030  -0.080
  596   2HB   ASN  78          HB3       ASN  78  -7.328  -1.621   1.514
  597   1HD2  ASN  78          HD21      ASN  78  -9.803  -4.168   1.529
  598   2HD2  ASN  78          HD22      ASN  78  -8.443  -3.406   2.319
  599    H    THR  79          H         THR  79  -9.882  -0.277  -2.081
  600    HA   THR  79          HA        THR  79 -12.273  -0.953  -0.520
  601    HB   THR  79          HB        THR  79 -12.007   1.706  -1.979
  602    HG1  THR  79          HG1       THR  79 -11.447   1.094   0.383
  603   1HG2  THR  79          HG23      THR  79 -14.498   0.231  -1.078
  604   2HG2  THR  79          HG21      THR  79 -14.418   2.005  -1.159
  605   3HG2  THR  79          HG22      THR  79 -14.195   1.058  -2.615
  606    H    ASN  80          H         ASN  80 -10.796  -2.604  -1.979
  607    HA   ASN  80          HA        ASN  80 -12.009  -2.824  -4.666
  608   1HB   ASN  80          HB2       ASN  80  -9.737  -3.727  -4.311
  609   2HB   ASN  80          HB3       ASN  80 -10.364  -4.776  -3.013
  610   1HD2  ASN  80          HD22      ASN  80 -11.311  -5.567  -6.978
  611   2HD2  ASN  80          HD21      ASN  80 -10.849  -3.946  -6.469
  612    H    LYS  81          H         LYS  81 -14.152  -3.355  -4.695
  613    HA   LYS  81          HA        LYS  81 -15.510  -4.487  -2.412
  614   1HB   LYS  81          HB2       LYS  81 -16.351  -3.825  -5.250
  615   2HB   LYS  81          HB3       LYS  81 -17.453  -4.503  -4.034
  616   1HG   LYS  81          HG2       LYS  81 -17.090  -2.669  -2.524
  617   2HG   LYS  81          HG3       LYS  81 -15.828  -1.963  -3.553
  618   1HD   LYS  81          HD2       LYS  81 -17.387  -1.338  -5.248
  619   2HD   LYS  81          HD3       LYS  81 -18.642  -2.413  -4.609
  620   1HE   LYS  81          HE2       LYS  81 -19.112  -0.033  -4.058
  621   2HE   LYS  81          HE3       LYS  81 -18.937  -1.076  -2.638
  622   1HZ   LYS  81          HZ1       LYS  81 -16.676  -0.267  -2.427
  623   2HZ   LYS  81          HZ2       LYS  81 -16.913   0.782  -3.679
  624   3HZ   LYS  81          HZ3       LYS  81 -17.792   0.926  -2.282
  625    H    GLY  82          H         GLY  82 -13.894  -6.318  -2.353
  626   1HA   GLY  82          HA2       GLY  82 -15.177  -8.772  -2.882
  627   2HA   GLY  82          HA3       GLY  82 -13.991  -8.504  -4.177
  628    H    PHE  83          H         PHE  83 -11.766  -7.645  -3.293
  629    HA   PHE  83          HA        PHE  83 -10.911  -9.704  -1.334
  630   1HB   PHE  83          HB2       PHE  83  -9.408  -7.956  -3.285
  631   2HB   PHE  83          HB3       PHE  83  -8.651  -9.073  -2.163
  632    HD1  PHE  83          HD1       PHE  83  -9.123 -11.577  -2.330
  633    HD2  PHE  83          HD2       PHE  83 -10.361  -8.777  -5.355
  634    HE1  PHE  83          HE1       PHE  83  -9.015 -13.373  -4.035
  635    HE2  PHE  83          HE2       PHE  83 -10.247 -10.577  -7.068
  636    HZ   PHE  83          HZ        PHE  83  -9.561 -12.872  -6.409
  637    H    GLY  84          H         GLY  84 -10.538  -9.178   0.725
  638   1HA   GLY  84          HA2       GLY  84 -10.141  -6.509   1.800
  639   2HA   GLY  84          HA3       GLY  84  -9.899  -8.056   2.600
  640    H    HIS  85          H         HIS  85  -8.391  -6.056  -0.012
  641    HA   HIS  85          HA        HIS  85  -5.988  -7.479  -0.030
  642   1HB   HIS  85          HB2       HIS  85  -6.337  -4.527  -0.606
  643   2HB   HIS  85          HB3       HIS  85  -4.920  -5.480  -1.033
  644    HD2  HIS  85          HD2       HIS  85  -8.087  -4.296  -2.424
  645    HE1  HIS  85          HE1       HIS  85  -6.826  -7.301  -5.121
  646    HE2  HIS  85          HE2       HIS  85  -8.411  -5.356  -4.778
  647    H    SER  86          H         SER  86  -3.993  -7.359   0.941
  648    HA   SER  86          HA        SER  86  -3.752  -5.856   3.490
  649   1HB   SER  86          HB2       SER  86  -1.917  -7.632   3.747
  650   2HB   SER  86          HB3       SER  86  -3.585  -8.190   3.867
  651    HG   SER  86          HG        SER  86  -2.447  -9.555   2.524
  652    H    PHE  87          H         PHE  87  -1.646  -4.978   3.892
  653    HA   PHE  87          HA        PHE  87   0.135  -4.492   1.559
  654   1HB   PHE  87          HB2       PHE  87  -1.290  -2.522   2.290
  655   2HB   PHE  87          HB3       PHE  87  -0.470  -2.514   3.814
  656    HD1  PHE  87          HD2       PHE  87   2.369  -2.636   3.321
  657    HD2  PHE  87          HD1       PHE  87  -0.700  -0.758   0.934
  658    HE1  PHE  87          HE2       PHE  87   3.967  -0.880   2.599
  659    HE2  PHE  87          HE1       PHE  87   0.895   1.002   0.272
  660    HZ   PHE  87          HZ        PHE  87   3.227   0.959   1.128
  661    H    ASP  88          H         ASP  88   1.685  -6.073   2.268
  662    HA   ASP  88          HA        ASP  88   2.437  -6.126   5.171
  663   1HB   ASP  88          HB2       ASP  88   2.486  -8.382   3.149
  664   2HB   ASP  88          HB3       ASP  88   2.849  -8.478   4.881
  665    HD1  ASP  88          HD        ASP  88  -0.668  -7.702   5.628
  666    H    ILE  89          H         ILE  89   4.409  -5.293   5.525
  667    HA   ILE  89          HA        ILE  89   6.260  -4.954   3.268
  668    HB   ILE  89          HB        ILE  89   6.452  -3.670   6.011
  669   1HG1  ILE  89          HG12      ILE  89   4.932  -2.753   3.559
  670   2HG1  ILE  89          HG13      ILE  89   4.298  -3.026   5.188
  671   1HG2  ILE  89          HG22      ILE  89   8.498  -3.736   4.586
  672   2HG2  ILE  89          HG23      ILE  89   7.582  -2.987   3.265
  673   3HG2  ILE  89          HG21      ILE  89   7.884  -2.104   4.779
  674   1HD1  ILE  89          HD11      ILE  89   5.838  -1.164   5.997
  675   2HD1  ILE  89          HD12      ILE  89   6.115  -0.772   4.283
  676   3HD1  ILE  89          HD13      ILE  89   4.486  -0.683   4.963
  677    H    THR  90          H         THR  90   8.070  -6.124   3.088
  678    HA   THR  90          HA        THR  90   9.549  -7.148   5.329
  679    HB   THR  90          HB        THR  90   7.766  -8.718   5.392
  680    HG1  THR  90          HG1       THR  90   9.408  -9.964   5.808
  681   1HG2  THR  90          HG23      THR  90   8.270  -9.279   2.425
  682   2HG2  THR  90          HG21      THR  90   7.248 -10.267   3.483
  683   3HG2  THR  90          HG22      THR  90   6.803  -8.590   3.143
  684    H    LYS  91          H         LYS  91  10.553  -9.304   3.449
  685    HA   LYS  91          HA        LYS  91  11.892  -7.520   1.435
  686   1HB   LYS  91          HB2       LYS  91  13.098  -9.910   2.890
  687   2HB   LYS  91          HB3       LYS  91  13.825  -9.029   1.525
  688   1HG   LYS  91          HG2       LYS  91  13.693  -6.911   2.895
  689   2HG   LYS  91          HG3       LYS  91  13.057  -7.858   4.238
  690   1HD   LYS  91          HD2       LYS  91  15.403  -7.465   4.603
  691   2HD   LYS  91          HD3       LYS  91  15.130  -9.190   4.343
  692   1HE   LYS  91          HE2       LYS  91  17.172  -8.344   3.209
  693   2HE   LYS  91          HE3       LYS  91  16.026  -9.032   2.057
  694   1HZ   LYS  91          HZ3       LYS  91  16.346  -6.158   2.627
  695   2HZ   LYS  91          HZ1       LYS  91  16.958  -6.952   1.321
  696   3HZ   LYS  91          HZ2       LYS  91  15.331  -6.810   1.514
  697    H    LYS  92          H         LYS  92  12.276 -11.000   1.336
  698    HA   LYS  92          HA        LYS  92  11.671 -12.550  -0.168
  699   1HB   LYS  92          HB2       LYS  92   9.219 -10.868  -0.874
  700   2HB   LYS  92          HB3       LYS  92   9.559 -12.537  -1.318
  701   1HG   LYS  92          HG2       LYS  92   9.543 -13.211   1.042
  702   2HG   LYS  92          HG3       LYS  92   9.293 -11.536   1.551
  703   1HD   LYS  92          HD2       LYS  92   7.189 -12.738   1.642
  704   2HD   LYS  92          HD3       LYS  92   7.105 -11.470   0.408
  705   1HE   LYS  92          HE2       LYS  92   7.351 -13.127  -1.376
  706   2HE   LYS  92          HE3       LYS  92   7.713 -14.404  -0.194
  707   1HZ   LYS  92          HZ1       LYS  92   5.158 -12.972  -0.388
  708   2HZ   LYS  92          HZ2       LYS  92   5.460 -14.484  -0.969
  709   3HZ   LYS  92          HZ3       LYS  92   5.524 -14.203   0.652
  710    H    GLY  93          H         GLY  93  10.747  -9.475  -1.770
  711   1HA   GLY  93          HA2       GLY  93  11.568  -8.474  -3.668
  712   2HA   GLY  93          HA3       GLY  93  12.937  -9.600  -3.693
  713    HA   PRO  94          HA        PRO  94   9.696 -10.736  -6.917
  714   1HB   PRO  94          HB2       PRO  94  10.885  -9.912  -9.241
  715   2HB   PRO  94          HB3       PRO  94   9.928  -8.814  -8.208
  716   1HG   PRO  94          HG2       PRO  94  12.936  -9.151  -8.253
  717   2HG   PRO  94          HG3       PRO  94  12.003  -7.626  -8.310
  718   1HD   PRO  94          HD2       PRO  94  13.064  -8.641  -5.984
  719   2HD   PRO  94          HD3       PRO  94  11.513  -7.755  -6.000
  720    HA   PRO  95          HA        PRO  95   9.076 -12.124  -8.633
  721   1HB   PRO  95          HB2       PRO  95   8.468 -14.735  -9.008
  722   2HB   PRO  95          HB3       PRO  95   9.493 -13.826 -10.158
  723   1HG   PRO  95          HG2       PRO  95  10.409 -15.659  -7.922
  724   2HG   PRO  95          HG3       PRO  95  10.938 -15.669  -9.628
  725   1HD   PRO  95          HD2       PRO  95  12.345 -14.382  -7.645
  726   2HD   PRO  95          HD3       PRO  95  12.270 -13.734  -9.306
  727    H    TYR  96          H         TYR  96   7.288 -12.085  -7.266
  728    HA   TYR  96          HA        TYR  96   7.592 -13.104  -4.527
  729   1HB   TYR  96          HB2       TYR  96   5.144 -11.819  -5.722
  730   2HB   TYR  96          HB3       TYR  96   5.598 -11.950  -4.029
  731    HD1  TYR  96          HD1       TYR  96   7.561 -10.570  -3.156
  732    HD2  TYR  96          HD2       TYR  96   6.045 -10.108  -7.167
  733    HE1  TYR  96          HE1       TYR  96   8.856  -8.467  -3.412
  734    HE2  TYR  96          HE2       TYR  96   7.551  -8.192  -7.506
  735    HH   TYR  96          HH        TYR  96   8.854  -6.649  -6.489
  736    H    ALA  97          H         ALA  97   6.174 -14.719  -3.646
  737    HA   ALA  97          HA        ALA  97   5.742 -16.845  -5.551
  738   1HB   ALA  97          HB1       ALA  97   5.250 -16.658  -2.552
  739   2HB   ALA  97          HB2       ALA  97   5.133 -18.155  -3.505
  740   3HB   ALA  97          HB3       ALA  97   6.690 -17.314  -3.355
  741    H    VAL  98          H         VAL  98   3.915 -17.851  -6.192
  742    HA   VAL  98          HA        VAL  98   1.449 -16.402  -6.370
  743    HB   VAL  98          HB        VAL  98   2.107 -19.351  -6.822
  744   1HG1  VAL  98          HG13      VAL  98  -0.353 -17.741  -7.640
  745   2HG1  VAL  98          HG11      VAL  98   0.035 -19.380  -8.200
  746   3HG1  VAL  98          HG12      VAL  98  -0.319 -19.098  -6.494
  747   1HG2  VAL  98          HG21      VAL  98   1.843 -17.013  -8.769
  748   2HG2  VAL  98          HG22      VAL  98   3.362 -17.817  -8.323
  749   3HG2  VAL  98          HG23      VAL  98   2.122 -18.706  -9.216
  750    H    MET  99          H         MET  99   2.660 -19.013  -4.246
  751    HA   MET  99          HA        MET  99   0.202 -19.064  -2.643
  752   1HB   MET  99          HB2       MET  99   2.967 -20.298  -2.281
  753   2HB   MET  99          HB3       MET  99   1.614 -20.501  -1.153
  754   1HG   MET  99          HG2       MET  99   0.264 -21.576  -2.879
  755   2HG   MET  99          HG3       MET  99   1.494 -21.259  -4.103
  756   1HE   MET  99          HE1       MET  99   0.641 -23.268  -0.853
  757   2HE   MET  99          HE2       MET  99   2.052 -24.345  -0.716
  758   3HE   MET  99          HE3       MET  99   2.240 -22.605  -0.416
  759    HA   PRO 100          HA        PRO 100   1.784 -15.383  -0.675
  760   1HB   PRO 100          HB2       PRO 100   0.045 -15.017   1.366
  761   2HB   PRO 100          HB3       PRO 100  -0.437 -14.879  -0.351
  762   1HG   PRO 100          HG2       PRO 100  -0.802 -17.233   1.500
  763   2HG   PRO 100          HG3       PRO 100  -2.002 -16.477   0.413
  764   1HD   PRO 100          HD2       PRO 100  -0.512 -18.733  -0.260
  765   2HD   PRO 100          HD3       PRO 100  -1.065 -17.553  -1.477
  766    H    VAL 101          H         VAL 101   3.783 -16.542  -0.182
  767    HA   VAL 101          HA        VAL 101   4.053 -17.936   2.333
  768    HB   VAL 101          HB        VAL 101   6.218 -16.728   0.562
  769   1HG1  VAL 101          HG12      VAL 101   6.981 -17.208   2.904
  770   2HG1  VAL 101          HG13      VAL 101   6.372 -18.864   2.745
  771   3HG1  VAL 101          HG11      VAL 101   7.713 -18.303   1.725
  772   1HG2  VAL 101          HG23      VAL 101   5.064 -19.556   0.705
  773   2HG2  VAL 101          HG21      VAL 101   4.908 -18.434  -0.659
  774   3HG2  VAL 101          HG22      VAL 101   6.494 -19.075  -0.231
  775    H    ILE 102          H         ILE 102   3.502 -16.797   4.099
  776    HA   ILE 102          HA        ILE 102   4.273 -14.013   4.469
  777    HB   ILE 102          HB        ILE 102   3.425 -14.263   6.670
  778   1HG1  ILE 102          HG12      ILE 102   2.264 -16.963   5.761
  779   2HG1  ILE 102          HG13      ILE 102   3.608 -16.808   6.897
  780   1HG2  ILE 102          HG22      ILE 102   2.134 -13.363   4.792
  781   2HG2  ILE 102          HG23      ILE 102   1.514 -14.977   4.394
  782   3HG2  ILE 102          HG21      ILE 102   1.042 -14.169   5.904
  783   1HD1  ILE 102          HD13      ILE 102   2.114 -15.457   8.406
  784   2HD1  ILE 102          HD11      ILE 102   0.756 -15.844   7.323
  785   3HD1  ILE 102          HD12      ILE 102   1.608 -17.144   8.169
  786    H    ASP 103          H         ASP 103   6.341 -14.371   3.984
  787    HA   ASP 103          HA        ASP 103   8.307 -15.553   5.794
  788   1HB   ASP 103          HB2       ASP 103   8.500 -13.345   3.684
  789   2HB   ASP 103          HB3       ASP 103   9.889 -13.870   4.630
  790    HD1  ASP 103          HD        ASP 103  10.115 -17.003   3.083
  791    HA   PRO 104          HA        PRO 104   8.221 -12.977   9.311
  792   1HB   PRO 104          HB2       PRO 104  10.984 -12.012   8.504
  793   2HB   PRO 104          HB3       PRO 104  10.365 -12.342  10.152
  794   1HG   PRO 104          HG2       PRO 104  11.753 -14.273   8.868
  795   2HG   PRO 104          HG3       PRO 104  10.218 -14.706   9.677
  796   1HD   PRO 104          HD2       PRO 104  10.721 -14.254   6.744
  797   2HD   PRO 104          HD3       PRO 104   9.695 -15.478   7.546
  798    H    ILE 105          H         ILE 105   6.648 -11.465   9.056
  799    HA   ILE 105          HA        ILE 105   6.957  -9.200   7.257
  800    HB   ILE 105          HB        ILE 105   4.793  -9.981   9.230
  801   1HG1  ILE 105          HG12      ILE 105   4.820 -11.512   7.366
  802   2HG1  ILE 105          HG13      ILE 105   3.454 -10.418   7.184
  803   1HG2  ILE 105          HG23      ILE 105   4.886  -7.640   7.294
  804   2HG2  ILE 105          HG21      ILE 105   3.406  -8.249   8.063
  805   3HG2  ILE 105          HG22      ILE 105   4.703  -7.587   9.057
  806   1HD1  ILE 105          HD13      ILE 105   4.957  -9.045   5.564
  807   2HD1  ILE 105          HD11      ILE 105   6.056 -10.435   5.617
  808   3HD1  ILE 105          HD12      ILE 105   4.411 -10.645   5.019
  809    H    VAL 106          H         VAL 106   7.599  -7.187   7.739
  810    HA   VAL 106          HA        VAL 106   8.619  -6.699  10.488
  811    HB   VAL 106          HB        VAL 106   8.800  -5.087   7.895
  812   1HG1  VAL 106          HG13      VAL 106  10.134  -4.644  10.613
  813   2HG1  VAL 106          HG11      VAL 106  10.453  -3.721   9.130
  814   3HG1  VAL 106          HG12      VAL 106   8.871  -3.609   9.919
  815   1HG2  VAL 106          HG21      VAL 106  10.857  -6.754   9.396
  816   2HG2  VAL 106          HG22      VAL 106  10.136  -7.148   7.822
  817   3HG2  VAL 106          HG23      VAL 106  11.175  -5.728   7.983
  818    H    ALA 107          H         ALA 107   6.887  -4.598   8.236
  819    HA   ALA 107          HA        ALA 107   4.812  -4.031  10.322
  820   1HB   ALA 107          HB2       ALA 107   5.737  -2.237   8.034
  821   2HB   ALA 107          HB3       ALA 107   4.391  -1.913   9.155
  822   3HB   ALA 107          HB1       ALA 107   6.051  -1.974   9.764
  823    H    GLY 108          H         GLY 108   2.562  -4.249   9.496
  824   1HA   GLY 108          HA2       GLY 108   2.129  -4.554   6.753
  825   2HA   GLY 108          HA3       GLY 108   2.245  -6.197   7.455
  826    H    THR 109          H         THR 109  -0.109  -5.442   6.291
  827    HA   THR 109          HA        THR 109  -1.945  -4.979   8.619
  828    HB   THR 109          HB        THR 109  -3.493  -4.215   6.638
  829    HG1  THR 109          HG1       THR 109  -0.920  -3.863   5.507
  830   1HG2  THR 109          HG21      THR 109  -1.108  -2.594   7.614
  831   2HG2  THR 109          HG22      THR 109  -2.510  -1.917   6.752
  832   3HG2  THR 109          HG23      THR 109  -2.723  -2.670   8.347
  833    H    GLY 110          H         GLY 110  -3.312  -6.557   9.101
  834   1HA   GLY 110          HA2       GLY 110  -3.152  -9.090   7.635
  835   2HA   GLY 110          HA3       GLY 110  -3.973  -8.753   9.161
  836    H    PHE 111          H         PHE 111  -4.228  -7.536   5.821
  837    HA   PHE 111          HA        PHE 111  -5.866  -7.489   4.265
  838   1HB   PHE 111          HB2       PHE 111  -7.539  -9.322   5.965
  839   2HB   PHE 111          HB3       PHE 111  -7.668  -9.090   4.273
  840    HD1  PHE 111          HD1       PHE 111  -5.534  -9.637   2.786
  841    HD2  PHE 111          HD2       PHE 111  -6.193 -11.167   6.764
  842    HE1  PHE 111          HE1       PHE 111  -3.850 -11.424   2.391
  843    HE2  PHE 111          HE2       PHE 111  -4.503 -12.937   6.358
  844    HZ   PHE 111          HZ        PHE 111  -3.322 -13.058   4.168
  845    H    SER 112          H         SER 112  -6.626  -5.439   4.187
  846    HA   SER 112          HA        SER 112  -8.088  -4.305   6.461
  847   1HB   SER 112          HB2       SER 112  -7.992  -2.205   5.048
  848   2HB   SER 112          HB3       SER 112  -6.446  -2.967   5.413
  849    HG   SER 112          HG        SER 112  -6.502  -3.863   3.276
  850    HA   PRO 113          HA        PRO 113 -12.148  -5.161   5.485
  851   1HB   PRO 113          HB2       PRO 113 -13.557  -2.708   5.501
  852   2HB   PRO 113          HB3       PRO 113 -13.069  -3.677   6.915
  853   1HG   PRO 113          HG2       PRO 113 -11.586  -1.362   5.645
  854   2HG   PRO 113          HG3       PRO 113 -11.945  -1.598   7.376
  855   1HD   PRO 113          HD2       PRO 113  -9.546  -2.268   6.470
  856   2HD   PRO 113          HD3       PRO 113 -10.386  -3.472   7.468
  857    H    VAL 114          H         VAL 114 -14.112  -4.865   4.166
  858    HA   VAL 114          HA        VAL 114 -13.576  -4.092   1.324
  859    HB   VAL 114          HB        VAL 114 -15.113  -6.468   2.425
  860   1HG1  VAL 114          HG12      VAL 114 -14.653  -5.497  -0.425
  861   2HG1  VAL 114          HG13      VAL 114 -15.358  -7.066   0.013
  862   3HG1  VAL 114          HG11      VAL 114 -16.220  -5.572   0.404
  863   1HG2  VAL 114          HG22      VAL 114 -12.538  -6.267   0.798
  864   2HG2  VAL 114          HG23      VAL 114 -12.665  -6.813   2.486
  865   3HG2  VAL 114          HG21      VAL 114 -13.393  -7.773   1.193
  866    HA   PRO 115          HA        PRO 115 -16.993  -1.539   3.016
  867   1HB   PRO 115          HB2       PRO 115 -16.327   0.133   0.593
  868   2HB   PRO 115          HB3       PRO 115 -16.553   0.673   2.276
  869   1HG   PRO 115          HG2       PRO 115 -14.129   0.457   1.153
  870   2HG   PRO 115          HG3       PRO 115 -14.365  -0.066   2.859
  871   1HD   PRO 115          HD2       PRO 115 -14.240  -1.764   0.343
  872   2HD   PRO 115          HD3       PRO 115 -13.415  -1.979   1.917
  873    H    LYS 116          H         LYS 116 -18.775  -0.243   1.816
  874    HA   LYS 116          HA        LYS 116 -20.000  -1.805  -0.414
  875   1HB   LYS 116          HB2       LYS 116 -21.411  -0.153   1.721
  876   2HB   LYS 116          HB3       LYS 116 -22.165  -1.175   0.489
  877   1HG   LYS 116          HG2       LYS 116 -20.489  -2.130   2.851
  878   2HG   LYS 116          HG3       LYS 116 -22.240  -2.252   2.665
  879   1HD   LYS 116          HD2       LYS 116 -21.922  -3.730   0.672
  880   2HD   LYS 116          HD3       LYS 116 -20.163  -3.650   0.910
  881   1HE   LYS 116          HE2       LYS 116 -20.406  -4.620   3.175
  882   2HE   LYS 116          HE3       LYS 116 -22.159  -4.760   2.926
  883   1HZ   LYS 116          HZ1       LYS 116 -20.079  -6.068   1.317
  884   2HZ   LYS 116          HZ2       LYS 116 -21.016  -6.795   2.461
  885   3HZ   LYS 116          HZ3       LYS 116 -21.704  -6.213   1.081
  886    H    ASP 117          H         ASP 117 -21.914   0.216  -1.025
  887    HA   ASP 117          HA        ASP 117 -20.327   1.907  -2.704
  888   1HB   ASP 117          HB2       ASP 117 -22.438   2.975  -3.283
  889   2HB   ASP 117          HB3       ASP 117 -22.697   1.228  -3.183
  890    HD2  ASP 117          HD        ASP 117 -24.580   3.702  -0.688
  891    H    GLY 118          H         GLY 118 -20.053   4.207  -2.606
  892   1HA   GLY 118          HA2       GLY 118 -19.916   6.299  -1.703
  893   2HA   GLY 118          HA3       GLY 118 -20.927   5.795  -0.348
  894    H    LYS 119          H         LYS 119 -19.456   3.804   0.853
  895    HA   LYS 119          HA        LYS 119 -17.497   5.459   2.193
  896   1HB   LYS 119          HB2       LYS 119 -18.302   2.598   2.812
  897   2HB   LYS 119          HB3       LYS 119 -17.380   3.700   3.841
  898   1HG   LYS 119          HG2       LYS 119 -19.559   5.282   3.399
  899   2HG   LYS 119          HG3       LYS 119 -20.298   3.710   3.109
  900   1HD   LYS 119          HD2       LYS 119 -20.700   3.907   5.356
  901   2HD   LYS 119          HD3       LYS 119 -19.135   3.098   5.456
  902   1HE   LYS 119          HE2       LYS 119 -19.659   6.121   5.647
  903   2HE   LYS 119          HE3       LYS 119 -19.338   5.040   7.008
  904   1HZ   LYS 119          HZ2       LYS 119 -17.181   4.622   6.111
  905   2HZ   LYS 119          HZ3       LYS 119 -17.437   5.642   4.844
  906   3HZ   LYS 119          HZ1       LYS 119 -17.394   6.224   6.382
  907    H    PHE 120          H         PHE 120 -15.373   4.791   2.755
  908    HA   PHE 120          HA        PHE 120 -13.907   3.195   0.684
  909   1HB   PHE 120          HB2       PHE 120 -13.768   6.052   1.495
  910   2HB   PHE 120          HB3       PHE 120 -12.235   5.313   1.143
  911    HD1  PHE 120          HD1       PHE 120 -11.974   4.048  -1.112
  912    HD2  PHE 120          HD2       PHE 120 -15.580   6.124  -0.263
  913    HE1  PHE 120          HE1       PHE 120 -12.417   4.238  -3.557
  914    HE2  PHE 120          HE2       PHE 120 -16.140   6.182  -2.671
  915    HZ   PHE 120          HZ        PHE 120 -14.470   5.410  -4.346
  916    H    GLY 121          H         GLY 121 -12.909   1.672   1.738
  917   1HA   GLY 121          HA2       GLY 121 -12.391   1.634   4.594
  918   2HA   GLY 121          HA3       GLY 121 -11.931   0.411   3.396
  919    H    TYR 122          H         TYR 122 -10.586   2.476   5.515
  920    HA   TYR 122          HA        TYR 122  -8.158   2.600   3.938
  921   1HB   TYR 122          HB2       TYR 122  -7.554   4.837   4.538
  922   2HB   TYR 122          HB3       TYR 122  -9.113   4.880   3.772
  923    HD1  TYR 122          HD1       TYR 122 -11.107   4.830   5.691
  924    HD2  TYR 122          HD2       TYR 122  -7.105   6.311   6.183
  925    HE1  TYR 122          HE1       TYR 122 -11.878   6.324   7.543
  926    HE2  TYR 122          HE2       TYR 122  -7.906   7.914   7.876
  927    HH   TYR 122          HH        TYR 122  -9.735   8.739   9.023
  928    H    THR 123          H         THR 123  -6.243   3.005   5.306
  929    HA   THR 123          HA        THR 123  -6.537   2.187   8.102
  930    HB   THR 123          HB        THR 123  -5.149   0.493   5.991
  931    HG1  THR 123          HG1       THR 123  -7.581   0.409   7.058
  932   1HG2  THR 123          HG22      THR 123  -3.793   0.655   8.072
  933   2HG2  THR 123          HG23      THR 123  -5.173   0.026   8.985
  934   3HG2  THR 123          HG21      THR 123  -4.397  -0.956   7.740
  935    H    ASP 124          H         ASP 124  -5.159   3.418   9.136
  936    HA   ASP 124          HA        ASP 124  -2.794   4.640   7.757
  937   1HB   ASP 124          HB2       ASP 124  -4.359   5.483  10.241
  938   2HB   ASP 124          HB3       ASP 124  -2.874   6.240   9.660
  939    HD2  ASP 124          HD        ASP 124  -5.739   8.133   8.448
  940    H    PHE 125          H         PHE 125  -1.113   3.153   8.158
  941    HA   PHE 125          HA        PHE 125  -0.787   2.373  11.031
  942   1HB   PHE 125          HB2       PHE 125   0.237   0.376  10.517
  943   2HB   PHE 125          HB3       PHE 125  -1.335   0.411   9.724
  944    HD1  PHE 125          HD2       PHE 125   2.335   0.292   9.294
  945    HD2  PHE 125          HD1       PHE 125  -1.451   0.435   7.225
  946    HE1  PHE 125          HE2       PHE 125   3.351  -0.833   7.335
  947    HE2  PHE 125          HE1       PHE 125  -0.445  -0.774   5.315
  948    HZ   PHE 125          HZ        PHE 125   1.949  -1.494   5.411
  949    H    THR 126          H         THR 126   1.431   2.497  11.771
  950    HA   THR 126          HA        THR 126   3.122   4.375  10.178
  951    HB   THR 126          HB        THR 126   3.101   3.906  13.179
  952    HG1  THR 126          HG1       THR 126   1.181   4.871  12.374
  953   1HG2  THR 126          HG22      THR 126   4.407   6.058  11.445
  954   2HG2  THR 126          HG23      THR 126   4.305   6.096  13.214
  955   3HG2  THR 126          HG21      THR 126   5.253   4.835  12.417
  956    H    TRP 127          H         TRP 127   5.399   3.971  10.061
  957    HA   TRP 127          HA        TRP 127   6.510   1.557  11.273
  958   1HB   TRP 127          HB2       TRP 127   5.590   0.677   9.184
  959   2HB   TRP 127          HB3       TRP 127   6.322   1.987   8.267
  960    HD1  TRP 127          HD1       TRP 127   8.053  -0.340  10.818
  961    HE1  TRP 127          HE1       TRP 127  10.002  -1.532   9.694
  962    HE3  TRP 127          HE3       TRP 127   7.366   1.334   6.047
  963    HZ2  TRP 127          HZ2       TRP 127  11.059  -1.837   6.997
  964    HZ3  TRP 127          HZ3       TRP 127   8.971   0.705   4.256
  965    HH2  TRP 127          HH2       TRP 127  10.698  -0.974   4.669
  966    H    HIS 128          H         HIS 128   8.769   1.669  11.400
  967    HA   HIS 128          HA        HIS 128  10.098   4.186  10.522
  968   1HB   HIS 128          HB2       HIS 128  10.429   2.603  13.082
  969   2HB   HIS 128          HB3       HIS 128  11.673   3.683  12.444
  970    HD1  HIS 128          HD1       HIS 128   8.389   3.860  14.303
  971    HD2  HIS 128          HD2       HIS 128  10.879   6.322  11.954
  972    HE1  HIS 128          HE1       HIS 128   7.537   6.268  14.596
  973    HE2  HIS 128          HE2       HIS 128   9.051   7.748  13.129
  974    HA   PRO 129          HA        PRO 129  11.860   0.677   8.287
  975   1HB   PRO 129          HB2       PRO 129  12.836   1.935   6.135
  976   2HB   PRO 129          HB3       PRO 129  11.092   1.951   6.473
  977   1HG   PRO 129          HG2       PRO 129  13.088   4.116   7.222
  978   2HG   PRO 129          HG3       PRO 129  11.582   4.309   6.277
  979   1HD   PRO 129          HD2       PRO 129  11.686   4.703   8.982
  980   2HD   PRO 129          HD3       PRO 129  10.239   3.981   8.209
  981    H    THR 130          H         THR 130  14.248   0.616   7.004
  982    HA   THR 130          HA        THR 130  16.399   1.792   8.597
  983    HB   THR 130          HB        THR 130  17.546  -0.458   8.643
  984    HG1  THR 130          HG1       THR 130  16.197  -1.429   7.053
  985   1HG2  THR 130          HG23      THR 130  16.402   0.423  10.668
  986   2HG2  THR 130          HG21      THR 130  14.921  -0.443  10.198
  987   3HG2  THR 130          HG22      THR 130  16.394  -1.352  10.591
  988    H    ALA 131          H         ALA 131  18.302   1.966   7.242
  989    HA   ALA 131          HA        ALA 131  17.560   2.409   4.586
  990   1HB   ALA 131          HB1       ALA 131  19.356   3.668   5.702
  991   2HB   ALA 131          HB2       ALA 131  20.402   2.229   5.626
  992   3HB   ALA 131          HB3       ALA 131  19.860   3.028   4.127
  993    H    GLY 132          H         GLY 132  18.252   1.515   2.611
  994   1HA   GLY 132          HA2       GLY 132  19.486  -0.190   1.361
  995   2HA   GLY 132          HA3       GLY 132  18.975  -1.396   2.574
  996    H    THR 133          H         THR 133  17.303  -2.607   1.685
  997    HA   THR 133          HA        THR 133  15.186  -1.225   0.171
  998    HB   THR 133          HB        THR 133  16.701  -3.640  -0.889
  999    HG1  THR 133          HG1       THR 133  17.477  -2.141  -2.428
 1000   1HG2  THR 133          HG21      THR 133  14.545  -1.869  -2.138
 1001   2HG2  THR 133          HG22      THR 133  15.432  -3.156  -2.982
 1002   3HG2  THR 133          HG23      THR 133  14.346  -3.565  -1.651
 1003    H    TYR 134          H         TYR 134  13.235  -2.117   0.435
 1004    HA   TYR 134          HA        TYR 134  12.871  -4.803   1.651
 1005   1HB   TYR 134          HB2       TYR 134  11.558  -2.171   2.459
 1006   2HB   TYR 134          HB3       TYR 134  10.869  -3.730   2.851
 1007    HD1  TYR 134          HD1       TYR 134  12.212  -5.376   4.288
 1008    HD2  TYR 134          HD2       TYR 134  13.158  -1.193   3.905
 1009    HE1  TYR 134          HE1       TYR 134  13.077  -5.361   6.604
 1010    HE2  TYR 134          HE2       TYR 134  13.776  -1.129   6.272
 1011    HH   TYR 134          HH        TYR 134  14.441  -2.497   8.141
 1012    H    TYR 135          H         TYR 135  10.339  -5.244   1.294
 1013    HA   TYR 135          HA        TYR 135   9.329  -3.905  -1.098
 1014   1HB   TYR 135          HB2       TYR 135   9.478  -6.923  -0.954
 1015   2HB   TYR 135          HB3       TYR 135   8.776  -5.970  -2.238
 1016    HD1  TYR 135          HD1       TYR 135  12.042  -6.810  -0.592
 1017    HD2  TYR 135          HD2       TYR 135  10.077  -5.290  -4.091
 1018    HE1  TYR 135          HE1       TYR 135  14.214  -6.767  -1.774
 1019    HE2  TYR 135          HE2       TYR 135  12.244  -5.289  -5.300
 1020    HH   TYR 135          HH        TYR 135  14.524  -5.624  -5.145
 1021    H    TYR 136          H         TYR 136   7.014  -4.020  -1.164
 1022    HA   TYR 136          HA        TYR 136   5.788  -5.398   1.166
 1023   1HB   TYR 136          HB2       TYR 136   4.207  -3.786   1.507
 1024   2HB   TYR 136          HB3       TYR 136   5.704  -2.886   1.335
 1025    HD1  TYR 136          HD1       TYR 136   6.076  -1.484  -0.729
 1026    HD2  TYR 136          HD2       TYR 136   2.354  -3.525   0.019
 1027    HE1  TYR 136          HE1       TYR 136   4.871   0.194  -2.095
 1028    HE2  TYR 136          HE2       TYR 136   1.163  -1.839  -1.353
 1029    HH   TYR 136          HH        TYR 136   2.881   0.551  -3.207
 1030    H    VAL 137          H         VAL 137   3.898  -6.499   0.837
 1031    HA   VAL 137          HA        VAL 137   2.971  -6.946  -1.950
 1032    HB   VAL 137          HB        VAL 137   3.147  -9.390  -1.555
 1033   1HG1  VAL 137          HG12      VAL 137   4.857  -8.278  -2.909
 1034   2HG1  VAL 137          HG13      VAL 137   5.863  -8.017  -1.466
 1035   3HG1  VAL 137          HG11      VAL 137   5.510  -9.661  -2.022
 1036   1HG2  VAL 137          HG22      VAL 137   3.328  -9.388   0.940
 1037   2HG2  VAL 137          HG23      VAL 137   4.623 -10.304   0.169
 1038   3HG2  VAL 137          HG21      VAL 137   4.953  -8.686   0.810
 1039    H    CYS 138          H         CYS 138   0.918  -7.921  -2.057
 1040    HA   CYS 138          HA        CYS 138  -0.763  -7.803   0.413
 1041   1HB   CYS 138          HB2       CYS 138  -1.739  -6.695  -1.499
 1042   2HB   CYS 138          HB3       CYS 138  -1.315  -8.037  -2.554
 1043    H    GLN 139          H         GLN 139  -0.531  -9.710   1.564
 1044    HA   GLN 139          HA        GLN 139   0.246 -12.196   0.276
 1045   1HB   GLN 139          HB2       GLN 139  -0.535 -11.477   3.115
 1046   2HB   GLN 139          HB3       GLN 139   0.032 -13.078   2.660
 1047   1HG   GLN 139          HG2       GLN 139   1.700 -10.604   2.085
 1048   2HG   GLN 139          HG3       GLN 139   1.744 -11.462   3.625
 1049   1HE2  GLN 139          HE21      GLN 139   4.457 -13.243   2.174
 1050   2HE2  GLN 139          HE22      GLN 139   4.091 -11.783   3.084
 1051    H    ILE 140          H         ILE 140  -2.085 -11.497  -0.977
 1052    HA   ILE 140          HA        ILE 140  -4.037 -13.566  -0.069
 1053    HB   ILE 140          HB        ILE 140  -4.322 -11.255  -2.008
 1054   1HG1  ILE 140          HG12      ILE 140  -5.591 -12.010   0.662
 1055   2HG1  ILE 140          HG13      ILE 140  -4.611 -10.584   0.293
 1056   1HG2  ILE 140          HG21      ILE 140  -5.431 -13.297  -2.941
 1057   2HG2  ILE 140          HG22      ILE 140  -6.379 -13.421  -1.436
 1058   3HG2  ILE 140          HG23      ILE 140  -6.566 -12.034  -2.520
 1059   1HD1  ILE 140          HD13      ILE 140  -6.494  -9.821  -1.241
 1060   2HD1  ILE 140          HD11      ILE 140  -7.462 -11.165  -0.590
 1061   3HD1  ILE 140          HD12      ILE 140  -6.885  -9.895   0.487
 1062    HA   PRO 141          HA        PRO 141  -1.868 -16.150  -2.955
 1063   1HB   PRO 141          HB2       PRO 141  -4.625 -16.956  -3.925
 1064   2HB   PRO 141          HB3       PRO 141  -3.212 -18.010  -3.619
 1065   1HG   PRO 141          HG2       PRO 141  -5.177 -17.820  -1.758
 1066   2HG   PRO 141          HG3       PRO 141  -3.471 -17.749  -1.236
 1067   1HD   PRO 141          HD2       PRO 141  -5.405 -15.474  -1.636
 1068   2HD   PRO 141          HD3       PRO 141  -4.230 -15.736  -0.316
 1069    H    GLY 142          H         GLY 142  -1.031 -15.941  -4.985
 1070   1HA   GLY 142          HA2       GLY 142  -0.797 -15.344  -7.178
 1071   2HA   GLY 142          HA3       GLY 142  -2.517 -14.955  -7.255
 1072    H    HIS 143          H         HIS 143  -2.689 -12.947  -5.336
 1073    HA   HIS 143          HA        HIS 143  -2.414 -10.671  -6.786
 1074   1HB   HIS 143          HB2       HIS 143  -2.363 -11.059  -3.782
 1075   2HB   HIS 143          HB3       HIS 143  -2.397  -9.482  -4.537
 1076    HD2  HIS 143          HD2       HIS 143  -4.544 -12.222  -6.215
 1077    HE1  HIS 143          HE1       HIS 143  -7.203  -9.568  -4.266
 1078    HE2  HIS 143          HE2       HIS 143  -7.031 -11.550  -5.835
 1079    H    ALA 144          H         ALA 144   0.059 -11.549  -4.303
 1080    HA   ALA 144          HA        ALA 144   1.793  -9.384  -4.827
 1081   1HB   ALA 144          HB3       ALA 144   1.959 -10.889  -2.865
 1082   2HB   ALA 144          HB1       ALA 144   2.613 -12.168  -3.913
 1083   3HB   ALA 144          HB2       ALA 144   3.506 -10.645  -3.709
 1084    H    ALA 145          H         ALA 145   1.894 -12.716  -6.138
 1085    HA   ALA 145          HA        ALA 145   4.205 -12.397  -7.764
 1086   1HB   ALA 145          HB1       ALA 145   3.300 -14.580  -7.026
 1087   2HB   ALA 145          HB2       ALA 145   1.884 -14.348  -8.073
 1088   3HB   ALA 145          HB3       ALA 145   3.505 -14.507  -8.781
 1089    H    THR 146          H         THR 146   0.755 -11.911  -8.437
 1090    HA   THR 146          HA        THR 146   1.164 -11.617 -11.295
 1091    HB   THR 146          HB        THR 146  -1.252 -10.933 -11.283
 1092    HG1  THR 146          HG1       THR 146  -1.068 -11.627  -8.538
 1093   1HG2  THR 146          HG22      THR 146  -0.533 -13.562  -9.911
 1094   2HG2  THR 146          HG23      THR 146  -2.086 -13.181 -10.685
 1095   3HG2  THR 146          HG21      THR 146  -0.605 -13.258 -11.656
 1096    H    GLY 147          H         GLY 147   0.942  -9.275  -8.555
 1097   1HA   GLY 147          HA2       GLY 147   2.449  -7.440 -10.034
 1098   2HA   GLY 147          HA3       GLY 147   0.778  -7.001 -10.378
 1099    H    MET 148          H         MET 148  -0.062  -7.737  -7.448
 1100    HA   MET 148          HA        MET 148   0.562  -4.962  -6.676
 1101   1HB   MET 148          HB2       MET 148  -0.938  -5.185  -4.864
 1102   2HB   MET 148          HB3       MET 148  -1.594  -5.275  -6.485
 1103   1HG   MET 148          HG2       MET 148  -2.138  -7.601  -6.174
 1104   2HG   MET 148          HG3       MET 148  -1.108  -7.680  -4.734
 1105   1HE   MET 148          HE2       MET 148  -4.304  -5.854  -6.255
 1106   2HE   MET 148          HE3       MET 148  -4.886  -5.005  -4.800
 1107   3HE   MET 148          HE1       MET 148  -3.358  -4.521  -5.528
 1108    H    PHE 149          H         PHE 149   2.671  -5.071  -6.450
 1109    HA   PHE 149          HA        PHE 149   3.454  -5.553  -3.677
 1110   1HB   PHE 149          HB2       PHE 149   5.556  -6.578  -4.324
 1111   2HB   PHE 149          HB3       PHE 149   4.244  -7.448  -5.098
 1112    HD1  PHE 149          HD1       PHE 149   6.987  -4.966  -5.695
 1113    HD2  PHE 149          HD2       PHE 149   4.049  -7.545  -7.517
 1114    HE1  PHE 149          HE1       PHE 149   7.973  -4.522  -7.919
 1115    HE2  PHE 149          HE2       PHE 149   5.093  -7.160  -9.729
 1116    HZ   PHE 149          HZ        PHE 149   7.068  -5.659  -9.934
 1117    H    GLY 150          H         GLY 150   5.619  -4.245  -3.354
 1118   1HA   GLY 150          HA2       GLY 150   6.180  -2.106  -5.357
 1119   2HA   GLY 150          HA3       GLY 150   5.540  -1.587  -3.789
 1120    H    LYS 151          H         LYS 151   8.307  -1.789  -5.386
 1121    HA   LYS 151          HA        LYS 151  10.013  -3.037  -3.349
 1122   1HB   LYS 151          HB2       LYS 151  11.008  -1.191  -5.514
 1123   2HB   LYS 151          HB3       LYS 151  11.816  -2.550  -4.739
 1124   1HG   LYS 151          HG2       LYS 151  10.198  -4.085  -6.002
 1125   2HG   LYS 151          HG3       LYS 151   9.582  -2.639  -6.816
 1126   1HD   LYS 151          HD2       LYS 151  11.913  -2.125  -7.613
 1127   2HD   LYS 151          HD3       LYS 151  12.463  -3.637  -6.896
 1128   1HE   LYS 151          HE2       LYS 151  12.102  -4.036  -9.236
 1129   2HE   LYS 151          HE3       LYS 151  10.797  -4.867  -8.374
 1130   1HZ   LYS 151          HZ3       LYS 151  10.619  -2.224  -9.660
 1131   2HZ   LYS 151          HZ1       LYS 151  10.019  -3.629 -10.275
 1132   3HZ   LYS 151          HZ2       LYS 151   9.381  -2.991  -8.898
 1133    H    ILE 152          H         ILE 152  10.845  -1.906  -1.628
 1134    HA   ILE 152          HA        ILE 152  10.304   1.035  -1.448
 1135    HB   ILE 152          HB        ILE 152  10.651  -0.962   0.815
 1136   1HG1  ILE 152          HG12      ILE 152   8.125   0.156  -0.444
 1137   2HG1  ILE 152          HG13      ILE 152   8.579  -1.541  -0.171
 1138   1HG2  ILE 152          HG21      ILE 152  11.301   1.510   1.137
 1139   2HG2  ILE 152          HG22      ILE 152   9.603   1.879   0.808
 1140   3HG2  ILE 152          HG23      ILE 152  10.070   0.902   2.231
 1141   1HD1  ILE 152          HD13      ILE 152   8.522  -1.083   2.308
 1142   2HD1  ILE 152          HD11      ILE 152   7.807   0.506   1.940
 1143   3HD1  ILE 152          HD12      ILE 152   6.949  -0.964   1.490
 1144    H    VAL 153          H         VAL 153  12.253   1.881  -2.222
 1145    HA   VAL 153          HA        VAL 153  14.810   0.704  -1.228
 1146    HB   VAL 153          HB        VAL 153  14.382   3.101  -3.004
 1147   1HG1  VAL 153          HG11      VAL 153  16.794   1.355  -2.272
 1148   2HG1  VAL 153          HG12      VAL 153  16.825   2.566  -3.573
 1149   3HG1  VAL 153          HG13      VAL 153  16.573   3.072  -1.897
 1150   1HG2  VAL 153          HG22      VAL 153  14.946   0.184  -3.748
 1151   2HG2  VAL 153          HG23      VAL 153  13.492   1.113  -4.174
 1152   3HG2  VAL 153          HG21      VAL 153  15.052   1.546  -4.880
 1153    H    VAL 154          H         VAL 154  15.366   1.357   0.804
 1154    HA   VAL 154          HA        VAL 154  14.356   3.981   1.829
 1155    HB   VAL 154          HB        VAL 154  15.501   1.591   3.313
 1156   1HG1  VAL 154          HG12      VAL 154  15.773   3.841   4.406
 1157   2HG1  VAL 154          HG13      VAL 154  14.016   4.081   4.278
 1158   3HG1  VAL 154          HG11      VAL 154  14.681   2.797   5.303
 1159   1HG2  VAL 154          HG22      VAL 154  12.612   2.498   2.957
 1160   2HG2  VAL 154          HG23      VAL 154  13.328   0.994   2.324
 1161   3HG2  VAL 154          HG21      VAL 154  13.173   1.222   4.062
 1162    H    LYS 155          H         LYS 155  15.885   5.414   0.953
 1163    HA   LYS 155          HA        LYS 155  18.547   5.265   2.167
 1164   1HB   LYS 155          HB2       LYS 155  18.361   5.378  -0.874
 1165   2HB   LYS 155          HB3       LYS 155  19.814   5.572   0.135
 1166   1HG   LYS 155          HG2       LYS 155  19.567   3.256   0.960
 1167   2HG   LYS 155          HG3       LYS 155  18.177   3.023  -0.118
 1168   1HD   LYS 155          HD2       LYS 155  19.590   3.428  -2.092
 1169   2HD   LYS 155          HD3       LYS 155  20.977   3.780  -1.047
 1170   1HE   LYS 155          HE2       LYS 155  21.163   1.503  -1.886
 1171   2HE   LYS 155          HE3       LYS 155  20.901   1.468  -0.137
 1172   1HZ   LYS 155          HZ3       LYS 155  18.859   1.018  -2.203
 1173   2HZ   LYS 155          HZ1       LYS 155  19.563  -0.142  -1.276
 1174   3HZ   LYS 155          HZ2       LYS 155  18.579   0.977  -0.579
   
  No H/Q in entry =        1174
  Start of MODEL    2
    1    H    GLY   1          H         GLY   1  -7.073  -7.736   8.588
    2   1HA   GLY   1          HA2       GLY   1  -6.278  -9.986  10.175
    3   2HA   GLY   1          HA3       GLY   1  -4.900  -9.354   9.247
    4    H    THR   2          H         THR   2  -4.701  -9.200  11.985
    5    HA   THR   2          HA        THR   2  -5.741  -6.786  13.143
    6    HB   THR   2          HB        THR   2  -3.875  -7.355  14.828
    7    HG1  THR   2          HG1       THR   2  -2.998  -9.487  14.452
    8   1HG2  THR   2          HG23      THR   2  -5.851  -9.576  14.097
    9   2HG2  THR   2          HG21      THR   2  -5.035  -9.374  15.660
   10   3HG2  THR   2          HG22      THR   2  -6.205  -8.163  15.112
   11    H    LEU   3          H         LEU   3  -2.360  -7.590  12.726
   12    HA   LEU   3          HA        LEU   3  -0.532  -6.234  12.403
   13   1HB   LEU   3          HB2       LEU   3  -2.081  -6.776   9.964
   14   2HB   LEU   3          HB3       LEU   3  -0.825  -5.596   9.708
   15    HG   LEU   3          HG        LEU   3  -0.186  -8.200  11.150
   16   1HD1  LEU   3          HD12      LEU   3  -0.245  -7.692   8.139
   17   2HD1  LEU   3          HD13      LEU   3   0.448  -9.128   8.927
   18   3HD1  LEU   3          HD11      LEU   3  -1.296  -8.824   9.022
   19   1HD2  LEU   3          HD23      LEU   3   1.481  -6.360  11.186
   20   2HD2  LEU   3          HD21      LEU   3   2.044  -7.797  10.314
   21   3HD2  LEU   3          HD22      LEU   3   1.478  -6.380   9.414
   22    H    ASP   4          H         ASP   4  -2.567  -4.203  10.314
   23    HA   ASP   4          HA        ASP   4  -1.385  -1.738  11.133
   24   1HB   ASP   4          HB2       ASP   4  -2.547  -1.520   9.152
   25   2HB   ASP   4          HB3       ASP   4  -3.875  -2.591   9.664
   26    HD2  ASP   4          HD        ASP   4  -5.794   0.064   9.720
   27    H    THR   5          H         THR   5  -4.344  -3.381  12.224
   28    HA   THR   5          HA        THR   5  -5.779  -3.109  13.871
   29    HB   THR   5          HB        THR   5  -5.159  -2.463  16.056
   30    HG1  THR   5          HG1       THR   5  -2.852  -1.319  14.894
   31   1HG2  THR   5          HG22      THR   5  -4.319  -4.636  15.175
   32   2HG2  THR   5          HG23      THR   5  -2.779  -3.852  14.754
   33   3HG2  THR   5          HG21      THR   5  -3.284  -3.952  16.447
   34    H    THR   6          H         THR   6  -4.239  -0.009  12.994
   35    HA   THR   6          HA        THR   6  -6.539   1.551  13.851
   36    HB   THR   6          HB        THR   6  -4.155   2.371  12.075
   37    HG1  THR   6          HG1       THR   6  -3.604   1.549  14.165
   38   1HG2  THR   6          HG23      THR   6  -6.157   3.942  13.766
   39   2HG2  THR   6          HG21      THR   6  -4.742   4.609  12.917
   40   3HG2  THR   6          HG22      THR   6  -6.096   3.935  11.991
   41    H    TRP   7          H         TRP   7  -7.951  -0.023  12.762
   42    HA   TRP   7          HA        TRP   7  -8.310   0.256   9.816
   43   1HB   TRP   7          HB2       TRP   7  -9.283  -1.722  11.915
   44   2HB   TRP   7          HB3       TRP   7  -9.963  -1.649  10.297
   45    HD1  TRP   7          HD1       TRP   7  -7.594  -3.635  12.073
   46    HE1  TRP   7          HE1       TRP   7  -6.102  -4.965  10.475
   47    HE3  TRP   7          HE3       TRP   7  -8.467  -0.987   7.779
   48    HZ2  TRP   7          HZ2       TRP   7  -5.387  -4.871   7.686
   49    HZ3  TRP   7          HZ3       TRP   7  -7.176  -1.475   5.734
   50    HH2  TRP   7          HH2       TRP   7  -5.702  -3.485   5.632
   51    H    LYS   8          H         LYS   8 -10.009   1.423   8.995
   52    HA   LYS   8          HA        LYS   8 -12.524   1.702  10.455
   53   1HB   LYS   8          HB2       LYS   8 -10.714   4.048   9.730
   54   2HB   LYS   8          HB3       LYS   8 -12.431   4.253  10.058
   55   1HG   LYS   8          HG2       LYS   8 -10.318   3.318  12.038
   56   2HG   LYS   8          HG3       LYS   8 -11.026   4.919  11.938
   57   1HD   LYS   8          HD2       LYS   8 -12.553   2.370  12.652
   58   2HD   LYS   8          HD3       LYS   8 -11.991   3.613  13.765
   59   1HE   LYS   8          HE2       LYS   8 -13.416   5.305  12.534
   60   2HE   LYS   8          HE3       LYS   8 -14.094   3.970  11.581
   61   1HZ   LYS   8          HZ2       LYS   8 -14.851   2.982  13.611
   62   2HZ   LYS   8          HZ3       LYS   8 -14.230   4.226  14.496
   63   3HZ   LYS   8          HZ1       LYS   8 -15.459   4.504  13.437
   64    H    GLU   9          H         GLU   9 -13.962   3.216   8.853
   65    HA   GLU   9          HA        GLU   9 -13.120   2.824   6.058
   66   1HB   GLU   9          HB2       GLU   9 -16.012   2.399   6.728
   67   2HB   GLU   9          HB3       GLU   9 -15.094   2.062   5.246
   68   1HG   GLU   9          HG2       GLU   9 -13.847   0.247   6.655
   69   2HG   GLU   9          HG3       GLU   9 -15.036   0.546   7.915
   70    HE1  GLU   9          HE        GLU   9 -15.835  -1.428   4.566
   71    H    ALA  10          H         ALA  10 -13.295   4.723   5.003
   72    HA   ALA  10          HA        ALA  10 -14.736   7.018   6.285
   73   1HB   ALA  10          HB3       ALA  10 -12.305   7.265   5.590
   74   2HB   ALA  10          HB1       ALA  10 -12.816   6.997   3.908
   75   3HB   ALA  10          HB2       ALA  10 -13.421   8.395   4.836
   76    H    THR  11          H         THR  11 -15.131   8.268   3.557
   77    HA   THR  11          HA        THR  11 -16.708   6.234   2.108
   78    HB   THR  11          HB        THR  11 -18.610   7.609   1.857
   79    HG1  THR  11          HG1       THR  11 -17.178   9.573   3.329
   80   1HG2  THR  11          HG22      THR  11 -18.588   6.378   4.007
   81   2HG2  THR  11          HG23      THR  11 -17.902   7.806   4.813
   82   3HG2  THR  11          HG21      THR  11 -19.511   7.886   4.083
   83    H    LEU  12          H         LEU  12 -17.314   7.162  -0.090
   84    HA   LEU  12          HA        LEU  12 -15.157   7.420  -1.625
   85   1HB   LEU  12          HB2       LEU  12 -17.398   7.044  -2.426
   86   2HB   LEU  12          HB3       LEU  12 -17.830   8.733  -2.212
   87    HG   LEU  12          HG        LEU  12 -15.403   8.132  -3.897
   88   1HD1  LEU  12          HD13      LEU  12 -18.260   7.667  -4.861
   89   2HD1  LEU  12          HD11      LEU  12 -16.807   7.680  -5.883
   90   3HD1  LEU  12          HD12      LEU  12 -17.010   6.419  -4.656
   91   1HD2  LEU  12          HD21      LEU  12 -17.730  10.086  -4.217
   92   2HD2  LEU  12          HD22      LEU  12 -16.113  10.493  -3.614
   93   3HD2  LEU  12          HD23      LEU  12 -16.319   9.971  -5.284
   94    HA   PRO  13          HA        PRO  13 -15.029  12.171  -1.854
   95   1HB   PRO  13          HB2       PRO  13 -15.898  13.621   0.413
   96   2HB   PRO  13          HB3       PRO  13 -16.783  13.413  -1.124
   97   1HG   PRO  13          HG2       PRO  13 -17.041  11.759   1.396
   98   2HG   PRO  13          HG3       PRO  13 -18.352  12.440   0.389
   99   1HD   PRO  13          HD2       PRO  13 -17.676   9.886   0.118
  100   2HD   PRO  13          HD3       PRO  13 -17.904  10.863  -1.353
  101    H    GLN  14          H         GLN  14 -14.541  10.464   1.259
  102    HA   GLN  14          HA        GLN  14 -12.317  12.137   2.092
  103   1HB   GLN  14          HB2       GLN  14 -13.151   9.362   2.922
  104   2HB   GLN  14          HB3       GLN  14 -11.722  10.208   3.533
  105   1HG   GLN  14          HG2       GLN  14 -13.318  10.670   5.168
  106   2HG   GLN  14          HG3       GLN  14 -13.126  12.155   4.250
  107   1HE2  GLN  14          HE22      GLN  14 -16.590  12.267   3.496
  108   2HE2  GLN  14          HE21      GLN  14 -15.051  13.105   3.520
  109    H    VAL  15          H         VAL  15 -12.702   9.500  -0.233
  110    HA   VAL  15          HA        VAL  15  -9.971   8.667  -0.354
  111    HB   VAL  15          HB        VAL  15 -11.874   9.004  -2.703
  112   1HG1  VAL  15          HG12      VAL  15  -9.396   7.277  -2.323
  113   2HG1  VAL  15          HG13      VAL  15 -10.522   7.166  -3.692
  114   3HG1  VAL  15          HG11      VAL  15  -9.584   8.639  -3.441
  115   1HG2  VAL  15          HG22      VAL  15 -12.881   7.554  -0.892
  116   2HG2  VAL  15          HG23      VAL  15 -12.464   6.668  -2.360
  117   3HG2  VAL  15          HG21      VAL  15 -11.414   6.580  -0.918
  118    H    LYS  16          H         LYS  16 -11.671  11.439  -1.838
  119    HA   LYS  16          HA        LYS  16  -9.440  12.453  -3.321
  120   1HB   LYS  16          HB2       LYS  16 -11.656  14.142  -2.119
  121   2HB   LYS  16          HB3       LYS  16 -10.660  14.471  -3.540
  122   1HG   LYS  16          HG2       LYS  16 -11.725  12.378  -4.596
  123   2HG   LYS  16          HG3       LYS  16 -12.883  12.404  -3.259
  124   1HD   LYS  16          HD2       LYS  16 -12.423  14.526  -5.393
  125   2HD   LYS  16          HD3       LYS  16 -13.877  13.562  -5.128
  126   1HE   LYS  16          HE2       LYS  16 -12.792  15.806  -3.355
  127   2HE   LYS  16          HE3       LYS  16 -14.256  15.829  -4.340
  128   1HZ   LYS  16          HZ1       LYS  16 -15.159  14.116  -2.946
  129   2HZ   LYS  16          HZ2       LYS  16 -13.796  14.094  -2.014
  130   3HZ   LYS  16          HZ3       LYS  16 -14.747  15.438  -2.054
  131    H    ALA  17          H         ALA  17 -10.812  13.336  -0.127
  132    HA   ALA  17          HA        ALA  17  -8.980  15.296   0.609
  133   1HB   ALA  17          HB1       ALA  17 -11.042  14.731   1.865
  134   2HB   ALA  17          HB2       ALA  17 -10.258  13.253   2.475
  135   3HB   ALA  17          HB3       ALA  17  -9.616  14.846   2.917
  136    H    MET  18          H         MET  18  -8.685  11.753   1.160
  137    HA   MET  18          HA        MET  18  -6.142  11.898   2.458
  138   1HB   MET  18          HB2       MET  18  -7.630   9.676   1.072
  139   2HB   MET  18          HB3       MET  18  -6.012   9.449   1.763
  140   1HG   MET  18          HG2       MET  18  -6.755  10.254   3.949
  141   2HG   MET  18          HG3       MET  18  -8.390  10.525   3.342
  142   1HE   MET  18          HE2       MET  18  -9.095   8.061   1.691
  143   2HE   MET  18          HE3       MET  18  -9.772   6.951   2.913
  144   3HE   MET  18          HE1       MET  18 -10.134   8.693   2.979
  145    H    LEU  19          H         LEU  19  -6.961  11.150  -1.002
  146    HA   LEU  19          HA        LEU  19  -4.302  10.921  -1.927
  147   1HB   LEU  19          HB2       LEU  19  -6.803  11.969  -3.286
  148   2HB   LEU  19          HB3       LEU  19  -5.279  11.750  -4.145
  149    HG   LEU  19          HG        LEU  19  -6.634   9.463  -2.661
  150   1HD1  LEU  19          HD13      LEU  19  -8.154  10.355  -4.400
  151   2HD1  LEU  19          HD11      LEU  19  -6.850  10.248  -5.601
  152   3HD1  LEU  19          HD12      LEU  19  -7.507   8.771  -4.865
  153   1HD2  LEU  19          HD21      LEU  19  -4.538   9.521  -4.886
  154   2HD2  LEU  19          HD22      LEU  19  -4.218   9.107  -3.193
  155   3HD2  LEU  19          HD23      LEU  19  -5.257   8.067  -4.169
  156    H    GLU  20          H         GLU  20  -6.261  13.887  -1.631
  157    HA   GLU  20          HA        GLU  20  -4.436  15.715  -2.732
  158   1HB   GLU  20          HB2       GLU  20  -6.500  16.010  -0.521
  159   2HB   GLU  20          HB3       GLU  20  -5.630  17.379  -1.220
  160   1HG   GLU  20          HG2       GLU  20  -6.576  17.037  -3.394
  161   2HG   GLU  20          HG3       GLU  20  -7.237  15.459  -2.964
  162    HE1  GLU  20          HE        GLU  20  -9.060  18.718  -1.441
  163    H    LYS  21          H         LYS  21  -4.161  14.037   0.381
  164    HA   LYS  21          HA        LYS  21  -2.282  16.086   1.440
  165   1HB   LYS  21          HB2       LYS  21  -3.459  13.517   2.508
  166   2HB   LYS  21          HB3       LYS  21  -2.236  14.472   3.370
  167   1HG   LYS  21          HG2       LYS  21  -3.717  16.316   3.644
  168   2HG   LYS  21          HG3       LYS  21  -4.851  15.707   2.433
  169   1HD   LYS  21          HD2       LYS  21  -5.630  15.373   4.807
  170   2HD   LYS  21          HD3       LYS  21  -5.604  13.927   3.795
  171   1HE   LYS  21          HE2       LYS  21  -4.741  13.435   6.045
  172   2HE   LYS  21          HE3       LYS  21  -3.499  13.169   4.818
  173   1HZ   LYS  21          HZ2       LYS  21  -3.751  15.555   6.524
  174   2HZ   LYS  21          HZ3       LYS  21  -2.648  14.344   6.709
  175   3HZ   LYS  21          HZ1       LYS  21  -2.588  15.316   5.380
  176    H    ASP  22          H         ASP  22  -2.112  13.388  -0.616
  177    HA   ASP  22          HA        ASP  22   0.015  11.857   0.218
  178   1HB   ASP  22          HB2       ASP  22  -1.251  11.308  -1.792
  179   2HB   ASP  22          HB3       ASP  22  -0.719  12.810  -2.579
  180    HD1  ASP  22          HD        ASP  22   2.306  10.383  -1.812
  181    H    THR  23          H         THR  23   2.231  11.782  -0.006
  182    HA   THR  23          HA        THR  23   3.656  14.195  -1.061
  183    HB   THR  23          HB        THR  23   5.411  13.804   0.636
  184    HG1  THR  23          HG1       THR  23   3.598  11.818   1.476
  185   1HG2  THR  23          HG23      THR  23   3.647  15.480   1.075
  186   2HG2  THR  23          HG21      THR  23   2.649  14.245   1.864
  187   3HG2  THR  23          HG22      THR  23   4.211  14.708   2.571
  188    H    GLY  24          H         GLY  24   5.898  13.606  -1.800
  189   1HA   GLY  24          HA2       GLY  24   7.411  11.726  -2.509
  190   2HA   GLY  24          HA3       GLY  24   5.974  10.885  -3.041
  191    H    LYS  25          H         LYS  25   8.506  12.692  -4.080
  192    HA   LYS  25          HA        LYS  25   7.204  14.204  -6.251
  193   1HB   LYS  25          HB2       LYS  25  10.100  13.667  -5.488
  194   2HB   LYS  25          HB3       LYS  25   9.595  14.715  -6.821
  195   1HG   LYS  25          HG2       LYS  25   8.486  16.252  -5.352
  196   2HG   LYS  25          HG3       LYS  25   8.674  15.205  -3.946
  197   1HD   LYS  25          HD2       LYS  25  11.048  16.366  -5.462
  198   2HD   LYS  25          HD3       LYS  25  10.265  17.169  -4.090
  199   1HE   LYS  25          HE2       LYS  25  10.712  15.170  -2.657
  200   2HE   LYS  25          HE3       LYS  25  11.594  14.415  -3.993
  201   1HZ   LYS  25          HZ1       LYS  25  12.291  16.979  -2.756
  202   2HZ   LYS  25          HZ2       LYS  25  13.002  15.530  -2.430
  203   3HZ   LYS  25          HZ3       LYS  25  13.139  16.199  -3.936
  204    H    VAL  26          H         VAL  26   7.347  13.560  -8.450
  205    HA   VAL  26          HA        VAL  26   7.330  10.728  -8.911
  206    HB   VAL  26          HB        VAL  26   7.293  13.127 -10.793
  207   1HG1  VAL  26          HG11      VAL  26   6.875  10.171 -11.374
  208   2HG1  VAL  26          HG12      VAL  26   6.346  11.480 -12.458
  209   3HG1  VAL  26          HG13      VAL  26   8.063  11.261 -12.121
  210   1HG2  VAL  26          HG23      VAL  26   5.089  11.280  -9.763
  211   2HG2  VAL  26          HG21      VAL  26   5.330  12.972  -9.283
  212   3HG2  VAL  26          HG22      VAL  26   4.873  12.585 -10.946
  213    H    SER  27          H         SER  27   8.851   9.370  -9.890
  214    HA   SER  27          HA        SER  27  11.289  10.486 -11.115
  215   1HB   SER  27          HB2       SER  27  11.335   8.521  -8.786
  216   2HB   SER  27          HB3       SER  27  12.732   9.055  -9.735
  217    HG   SER  27          HG        SER  27  11.473  11.239  -8.911
  218    H    GLY  28          H         GLY  28   9.719   9.678 -12.833
  219   1HA   GLY  28          HA2       GLY  28   9.330   8.176 -14.530
  220   2HA   GLY  28          HA3       GLY  28  10.607   7.133 -13.874
  221    H    ASP  29          H         ASP  29   9.874   5.200 -13.036
  222    HA   ASP  29          HA        ASP  29   6.999   4.756 -12.460
  223   1HB   ASP  29          HB2       ASP  29   8.218   2.889 -13.421
  224   2HB   ASP  29          HB3       ASP  29   9.484   3.009 -12.172
  225    HD1  ASP  29          HD        ASP  29   6.003   1.198 -11.306
  226    H    THR  30          H         THR  30  10.026   5.539 -10.802
  227    HA   THR  30          HA        THR  30   9.088   4.606  -8.253
  228    HB   THR  30          HB        THR  30  11.587   6.158  -9.045
  229    HG1  THR  30          HG1       THR  30  12.520   4.147  -9.176
  230   1HG2  THR  30          HG21      THR  30  11.009   4.559  -6.536
  231   2HG2  THR  30          HG22      THR  30  12.598   5.145  -7.057
  232   3HG2  THR  30          HG23      THR  30  11.329   6.303  -6.640
  233    H    VAL  31          H         VAL  31   8.778   5.976  -6.411
  234    HA   VAL  31          HA        VAL  31   8.343   8.877  -6.956
  235    HB   VAL  31          HB        VAL  31   6.658   6.987  -5.270
  236   1HG1  VAL  31          HG12      VAL  31   6.577  10.027  -5.489
  237   2HG1  VAL  31          HG13      VAL  31   5.363   9.030  -4.666
  238   3HG1  VAL  31          HG11      VAL  31   7.018   9.091  -4.040
  239   1HG2  VAL  31          HG23      VAL  31   6.093   8.766  -7.695
  240   2HG2  VAL  31          HG21      VAL  31   6.065   6.992  -7.646
  241   3HG2  VAL  31          HG22      VAL  31   4.840   7.930  -6.778
  242    H    THR  32          H         THR  32   9.345  10.224  -5.449
  243    HA   THR  32          HA        THR  32  11.275   8.846  -3.642
  244    HB   THR  32          HB        THR  32  11.719  11.211  -5.504
  245    HG1  THR  32          HG1       THR  32  12.218   9.745  -6.879
  246   1HG2  THR  32          HG22      THR  32  13.626   9.713  -3.650
  247   2HG2  THR  32          HG23      THR  32  14.126  10.866  -4.903
  248   3HG2  THR  32          HG21      THR  32  13.152  11.420  -3.531
  249    H    TYR  33          H         TYR  33  11.470   9.627  -1.664
  250    HA   TYR  33          HA        TYR  33   9.848  12.026  -0.913
  251   1HB   TYR  33          HB2       TYR  33  10.792   9.608   0.662
  252   2HB   TYR  33          HB3       TYR  33   9.955  11.006   1.340
  253    HD1  TYR  33          HD1       TYR  33   9.620   8.100  -0.997
  254    HD2  TYR  33          HD2       TYR  33   7.565  11.276   1.082
  255    HE1  TYR  33          HE1       TYR  33   7.480   7.379  -2.002
  256    HE2  TYR  33          HE2       TYR  33   5.407  10.357   0.303
  257    HH   TYR  33          HH        TYR  33   4.577   9.383  -1.636
  258    H    SER  34          H         SER  34  10.895  12.954   1.255
  259    HA   SER  34          HA        SER  34  13.802  13.007   1.308
  260   1HB   SER  34          HB2       SER  34  12.389  15.621   0.608
  261   2HB   SER  34          HB3       SER  34  14.122  15.353   0.859
  262    HG   SER  34          HG        SER  34  13.559  13.636  -0.953
  263    H    GLY  35          H         GLY  35  10.804  14.747   2.327
  264   1HA   GLY  35          HA2       GLY  35  11.784  15.400   4.951
  265   2HA   GLY  35          HA3       GLY  35  10.089  15.343   4.428
  266    H    LYS  36          H         LYS  36  11.519  14.246   6.896
  267    HA   LYS  36          HA        LYS  36  11.536  11.409   6.831
  268   1HB   LYS  36          HB2       LYS  36  11.014  13.395   9.077
  269   2HB   LYS  36          HB3       LYS  36  11.213  11.664   9.349
  270   1HG   LYS  36          HG2       LYS  36  13.356  13.327   7.945
  271   2HG   LYS  36          HG3       LYS  36  13.255  13.158   9.701
  272   1HD   LYS  36          HD2       LYS  36  13.416  10.698   9.510
  273   2HD   LYS  36          HD3       LYS  36  13.575  10.829   7.745
  274   1HE   LYS  36          HE2       LYS  36  15.649  12.092   7.964
  275   2HE   LYS  36          HE3       LYS  36  15.466  12.169   9.729
  276   1HZ   LYS  36          HZ2       LYS  36  15.671   9.803   9.805
  277   2HZ   LYS  36          HZ3       LYS  36  15.869   9.701   8.173
  278   3HZ   LYS  36          HZ1       LYS  36  16.988  10.479   9.089
  279    H    THR  37          H         THR  37   8.863  13.725   7.237
  280    HA   THR  37          HA        THR  37   6.936  11.731   8.019
  281    HB   THR  37          HB        THR  37   6.405  14.494   6.855
  282    HG1  THR  37          HG1       THR  37   7.129  13.795   9.504
  283   1HG2  THR  37          HG21      THR  37   4.973  12.796   8.963
  284   2HG2  THR  37          HG22      THR  37   4.498  14.424   8.431
  285   3HG2  THR  37          HG23      THR  37   4.422  13.062   7.297
  286    H    VAL  38          H         VAL  38   7.546  10.215   6.323
  287    HA   VAL  38          HA        VAL  38   6.861  10.740   3.526
  288    HB   VAL  38          HB        VAL  38   7.691   8.316   5.147
  289   1HG1  VAL  38          HG12      VAL  38   6.982   8.411   2.185
  290   2HG1  VAL  38          HG13      VAL  38   7.922   7.118   2.946
  291   3HG1  VAL  38          HG11      VAL  38   6.242   7.383   3.421
  292   1HG2  VAL  38          HG23      VAL  38   9.422   9.989   4.650
  293   2HG2  VAL  38          HG21      VAL  38   9.710   8.483   3.752
  294   3HG2  VAL  38          HG22      VAL  38   9.012   9.891   2.936
  295    H    HIS  39          H         HIS  39   4.721  11.241   3.207
  296    HA   HIS  39          HA        HIS  39   2.646   9.534   4.513
  297   1HB   HIS  39          HB2       HIS  39   2.442  11.846   5.107
  298   2HB   HIS  39          HB3       HIS  39   2.510  12.346   3.413
  299    HD1  HIS  39          HD1       HIS  39   0.163  12.814   2.458
  300    HD2  HIS  39          HD2       HIS  39   0.302   9.687   5.293
  301    HE1  HIS  39          HE1       HIS  39  -2.155  11.706   2.466
  302    HE2  HIS  39          HE2       HIS  39  -2.070   9.858   4.237
  303    H    VAL  40          H         VAL  40   2.263   7.866   3.222
  304    HA   VAL  40          HA        VAL  40   2.117   8.199   0.260
  305    HB   VAL  40          HB        VAL  40   2.393   5.776   2.075
  306   1HG1  VAL  40          HG12      VAL  40   2.262   5.885  -0.967
  307   2HG1  VAL  40          HG13      VAL  40   2.786   4.478  -0.025
  308   3HG1  VAL  40          HG11      VAL  40   1.127   5.051   0.118
  309   1HG2  VAL  40          HG23      VAL  40   4.458   7.156   1.844
  310   2HG2  VAL  40          HG21      VAL  40   4.622   5.546   1.133
  311   3HG2  VAL  40          HG22      VAL  40   4.357   6.950   0.083
  312    H    VAL  41          H         VAL  41   0.238   7.451  -0.853
  313    HA   VAL  41          HA        VAL  41  -2.109   6.681   0.759
  314    HB   VAL  41          HB        VAL  41  -2.191   8.644  -1.566
  315   1HG1  VAL  41          HG11      VAL  41  -4.247   7.741   0.506
  316   2HG1  VAL  41          HG12      VAL  41  -4.503   9.036  -0.667
  317   3HG1  VAL  41          HG13      VAL  41  -4.261   7.367  -1.231
  318   1HG2  VAL  41          HG21      VAL  41  -2.370   9.232   1.422
  319   2HG2  VAL  41          HG22      VAL  41  -1.067   9.758   0.337
  320   3HG2  VAL  41          HG23      VAL  41  -2.696  10.383   0.113
  321    H    ALA  42          H         ALA  42  -2.215   4.595   0.283
  322    HA   ALA  42          HA        ALA  42  -1.853   3.675  -2.525
  323   1HB   ALA  42          HB1       ALA  42  -0.260   2.733  -0.892
  324   2HB   ALA  42          HB2       ALA  42  -1.615   2.171   0.098
  325   3HB   ALA  42          HB3       ALA  42  -1.361   1.493  -1.522
  326    H    ALA  43          H         ALA  43  -3.326   2.100  -3.365
  327    HA   ALA  43          HA        ALA  43  -5.781   1.552  -1.864
  328   1HB   ALA  43          HB1       ALA  43  -6.232   3.674  -3.094
  329   2HB   ALA  43          HB2       ALA  43  -5.700   2.907  -4.604
  330   3HB   ALA  43          HB3       ALA  43  -7.156   2.319  -3.777
  331    H    ALA  44          H         ALA  44  -7.067  -0.126  -2.970
  332    HA   ALA  44          HA        ALA  44  -5.296  -2.013  -4.511
  333   1HB   ALA  44          HB3       ALA  44  -7.161  -2.581  -2.182
  334   2HB   ALA  44          HB1       ALA  44  -6.379  -3.795  -3.172
  335   3HB   ALA  44          HB2       ALA  44  -5.377  -2.692  -2.200
  336    H    VAL  45          H         VAL  45  -6.129  -2.350  -6.480
  337    HA   VAL  45          HA        VAL  45  -7.601  -2.549  -8.170
  338    HB   VAL  45          HB        VAL  45  -8.956  -4.426  -6.205
  339   1HG1  VAL  45          HG11      VAL  45  -9.989  -4.182  -8.536
  340   2HG1  VAL  45          HG12      VAL  45  -8.421  -4.662  -9.203
  341   3HG1  VAL  45          HG13      VAL  45  -9.342  -5.791  -8.194
  342   1HG2  VAL  45          HG23      VAL  45  -6.376  -4.788  -7.743
  343   2HG2  VAL  45          HG21      VAL  45  -6.596  -4.856  -5.978
  344   3HG2  VAL  45          HG22      VAL  45  -7.299  -6.111  -7.007
  345    H    LEU  46          H         LEU  46  -8.286  -0.239  -7.715
  346    HA   LEU  46          HA        LEU  46 -10.954   0.108  -6.573
  347   1HB   LEU  46          HB2       LEU  46  -9.186   1.963  -8.219
  348   2HB   LEU  46          HB3       LEU  46 -10.705   2.445  -7.465
  349    HG   LEU  46          HG        LEU  46  -8.181   1.524  -6.017
  350   1HD1  LEU  46          HD13      LEU  46  -9.559   4.239  -6.259
  351   2HD1  LEU  46          HD11      LEU  46  -8.131   3.899  -5.268
  352   3HD1  LEU  46          HD12      LEU  46  -8.030   3.767  -7.031
  353   1HD2  LEU  46          HD21      LEU  46 -10.920   2.367  -4.958
  354   2HD2  LEU  46          HD22      LEU  46 -10.067   0.830  -4.666
  355   3HD2  LEU  46          HD23      LEU  46  -9.453   2.326  -3.966
  356    HA   PRO  47          HA        PRO  47 -13.519  -0.772 -10.079
  357   1HB   PRO  47          HB2       PRO  47 -14.490   2.082  -9.736
  358   2HB   PRO  47          HB3       PRO  47 -15.457   0.623 -10.101
  359   1HG   PRO  47          HG2       PRO  47 -15.333   1.523  -7.553
  360   2HG   PRO  47          HG3       PRO  47 -15.113  -0.224  -7.870
  361   1HD   PRO  47          HD2       PRO  47 -12.990   1.860  -7.341
  362   2HD   PRO  47          HD3       PRO  47 -13.135   0.193  -6.708
  363    H    GLY  48          H         GLY  48 -12.856  -0.828 -12.171
  364   1HA   GLY  48          HA2       GLY  48 -12.427   0.251 -14.280
  365   2HA   GLY  48          HA3       GLY  48 -11.636   1.594 -13.454
  366    H    PHE  49          H         PHE  49 -10.198  -0.288 -11.552
  367    HA   PHE  49          HA        PHE  49  -7.931  -0.854 -13.384
  368   1HB   PHE  49          HB2       PHE  49  -8.060  -0.560 -10.388
  369   2HB   PHE  49          HB3       PHE  49  -6.614  -0.846 -11.350
  370    HD1  PHE  49          HD2       PHE  49  -5.829   0.876 -13.015
  371    HD2  PHE  49          HD1       PHE  49  -9.206   1.642 -10.465
  372    HE1  PHE  49          HE2       PHE  49  -5.796   3.271 -13.664
  373    HE2  PHE  49          HE1       PHE  49  -9.091   4.042 -11.015
  374    HZ   PHE  49          HZ        PHE  49  -7.380   4.869 -12.618
  375    HA   PRO  50          HA        PRO  50  -9.403  -5.099 -12.936
  376   1HB   PRO  50          HB2       PRO  50  -6.757  -5.660 -14.295
  377   2HB   PRO  50          HB3       PRO  50  -8.352  -6.390 -14.633
  378   1HG   PRO  50          HG2       PRO  50  -7.416  -4.421 -16.237
  379   2HG   PRO  50          HG3       PRO  50  -9.116  -4.363 -15.679
  380   1HD   PRO  50          HD2       PRO  50  -6.741  -2.854 -14.552
  381   2HD   PRO  50          HD3       PRO  50  -8.381  -2.280 -14.966
  382    H    PHE  51          H         PHE  51  -8.745  -7.126 -11.944
  383    HA   PHE  51          HA        PHE  51  -7.142  -6.804  -9.602
  384   1HB   PHE  51          HB2       PHE  51  -8.490  -9.132 -10.995
  385   2HB   PHE  51          HB3       PHE  51  -7.250  -9.489  -9.823
  386    HD1  PHE  51          HD2       PHE  51 -10.557  -7.786 -10.193
  387    HD2  PHE  51          HD1       PHE  51  -7.640  -9.495  -7.509
  388    HE1  PHE  51          HE2       PHE  51 -12.202  -7.707  -8.337
  389    HE2  PHE  51          HE1       PHE  51  -9.316  -9.440  -5.672
  390    HZ   PHE  51          HZ        PHE  51 -11.554  -8.501  -6.071
  391    HA   PRO  52          HA        PRO  52  -5.654  -7.414  -8.323
  392   1HB   PRO  52          HB2       PRO  52  -3.626  -8.695  -7.269
  393   2HB   PRO  52          HB3       PRO  52  -4.877  -9.614  -8.129
  394   1HG   PRO  52          HG2       PRO  52  -2.106  -8.952  -9.103
  395   2HG   PRO  52          HG3       PRO  52  -3.106 -10.410  -9.367
  396   1HD   PRO  52          HD2       PRO  52  -2.882  -8.066 -11.068
  397   2HD   PRO  52          HD3       PRO  52  -3.895  -9.511 -11.313
  398    H    SER  53          H         SER  53  -5.142  -5.116  -9.611
  399    HA   SER  53          HA        SER  53  -2.322  -4.327  -9.242
  400   1HB   SER  53          HB2       SER  53  -3.015  -2.328 -10.492
  401   2HB   SER  53          HB3       SER  53  -3.413  -3.826 -11.345
  402    HG   SER  53          HG        SER  53  -5.548  -3.566 -10.844
  403    H    PHE  54          H         PHE  54  -1.505  -3.021  -7.709
  404    HA   PHE  54          HA        PHE  54  -3.256  -1.719  -5.695
  405   1HB   PHE  54          HB2       PHE  54  -0.218  -1.831  -6.079
  406   2HB   PHE  54          HB3       PHE  54  -1.006  -0.761  -4.959
  407    HD1  PHE  54          HD2       PHE  54  -2.683  -1.764  -3.249
  408    HD2  PHE  54          HD1       PHE  54   0.649  -3.834  -5.079
  409    HE1  PHE  54          HE2       PHE  54  -2.390  -3.125  -1.197
  410    HE2  PHE  54          HE1       PHE  54   0.992  -5.092  -2.979
  411    HZ   PHE  54          HZ        PHE  54  -0.511  -4.740  -1.054
  412    H    GLU  55          H         GLU  55  -3.891   0.423  -6.042
  413    HA   GLU  55          HA        GLU  55  -2.510   1.955  -8.241
  414   1HB   GLU  55          HB2       GLU  55  -5.163   2.527  -6.886
  415   2HB   GLU  55          HB3       GLU  55  -4.247   3.503  -8.066
  416   1HG   GLU  55          HG2       GLU  55  -6.119   2.357  -9.144
  417   2HG   GLU  55          HG3       GLU  55  -4.551   1.948  -9.830
  418    HE2  GLU  55          HE        GLU  55  -4.940  -1.386  -9.395
  419    H    VAL  56          H         VAL  56  -1.130   3.704  -7.433
  420    HA   VAL  56          HA        VAL  56  -1.330   4.220  -4.509
  421    HB   VAL  56          HB        VAL  56   1.278   3.468  -5.801
  422   1HG1  VAL  56          HG11      VAL  56   1.439   4.968  -3.826
  423   2HG1  VAL  56          HG12      VAL  56   0.512   3.803  -2.875
  424   3HG1  VAL  56          HG13      VAL  56   2.115   3.369  -3.495
  425   1HG2  VAL  56          HG21      VAL  56  -0.535   1.743  -4.061
  426   2HG2  VAL  56          HG22      VAL  56  -0.012   1.403  -5.728
  427   3HG2  VAL  56          HG23      VAL  56   1.160   1.366  -4.409
  428    H    HIS  57          H         HIS  57  -1.510   6.271  -4.244
  429    HA   HIS  57          HA        HIS  57  -1.724   8.429  -4.895
  430   1HB   HIS  57          HB2       HIS  57   0.473   9.591  -4.592
  431   2HB   HIS  57          HB3       HIS  57  -0.115   8.557  -3.298
  432    HD1  HIS  57          HD1       HIS  57   1.918   6.916  -6.133
  433    HD2  HIS  57          HD2       HIS  57   2.220   8.223  -2.142
  434    HE1  HIS  57          HE1       HIS  57   4.217   6.156  -5.263
  435    HE2  HIS  57          HE2       HIS  57   4.387   7.024  -2.841
  436    H    ASP  58          H         ASP  58   1.224   9.001  -6.512
  437    HA   ASP  58          HA        ASP  58  -0.304   9.902  -8.814
  438   1HB   ASP  58          HB2       ASP  58   1.598  11.124  -7.675
  439   2HB   ASP  58          HB3       ASP  58   2.715   9.971  -8.417
  440    HD1  ASP  58          HD        ASP  58   2.270   9.981 -11.026
  441    H    LYS  59          H         LYS  59   0.465   6.778  -8.220
  442    HA   LYS  59          HA        LYS  59   1.103   6.092 -11.022
  443   1HB   LYS  59          HB2       LYS  59   2.685   5.207  -8.581
  444   2HB   LYS  59          HB3       LYS  59   2.995   4.654 -10.235
  445   1HG   LYS  59          HG2       LYS  59   3.438   7.490  -9.245
  446   2HG   LYS  59          HG3       LYS  59   4.665   6.240  -9.422
  447   1HD   LYS  59          HD2       LYS  59   4.352   6.082 -11.808
  448   2HD   LYS  59          HD3       LYS  59   2.980   7.205 -11.764
  449   1HE   LYS  59          HE2       LYS  59   4.494   8.972 -10.833
  450   2HE   LYS  59          HE3       LYS  59   5.856   7.844 -10.987
  451   1HZ   LYS  59          HZ3       LYS  59   4.148   8.676 -13.240
  452   2HZ   LYS  59          HZ1       LYS  59   5.573   9.406 -12.845
  453   3HZ   LYS  59          HZ2       LYS  59   5.573   7.828 -13.293
  454    H    LYS  60          H         LYS  60   1.533   3.461 -10.758
  455    HA   LYS  60          HA        LYS  60  -0.478   2.252  -8.980
  456   1HB   LYS  60          HB2       LYS  60  -0.154   1.635 -11.937
  457   2HB   LYS  60          HB3       LYS  60  -1.250   0.806 -10.803
  458   1HG   LYS  60          HG2       LYS  60  -2.351   3.092 -10.436
  459   2HG   LYS  60          HG3       LYS  60  -1.426   3.675 -11.819
  460   1HD   LYS  60          HD2       LYS  60  -3.473   1.399 -11.850
  461   2HD   LYS  60          HD3       LYS  60  -3.696   3.055 -12.425
  462   1HE   LYS  60          HE2       LYS  60  -3.298   1.909 -14.403
  463   2HE   LYS  60          HE3       LYS  60  -1.699   2.573 -14.038
  464   1HZ   LYS  60          HZ2       LYS  60  -2.645  -0.161 -13.472
  465   2HZ   LYS  60          HZ3       LYS  60  -1.622   0.277 -14.686
  466   3HZ   LYS  60          HZ1       LYS  60  -1.140   0.404 -13.120
  467    H    ASN  61          H         ASN  61   0.411   0.536  -8.007
  468    HA   ASN  61          HA        ASN  61   2.158  -0.650  -7.118
  469   1HB   ASN  61          HB2       ASN  61   2.421  -1.678  -9.961
  470   2HB   ASN  61          HB3       ASN  61   2.702  -2.542  -8.465
  471   1HD2  ASN  61          HD21      ASN  61  -1.101  -1.273  -9.286
  472   2HD2  ASN  61          HD22      ASN  61   0.177  -0.994 -10.423
  473    HA   PRO  62          HA        PRO  62   5.589   1.911  -9.120
  474   1HB   PRO  62          HB2       PRO  62   5.887   4.054  -7.478
  475   2HB   PRO  62          HB3       PRO  62   4.557   3.949  -8.654
  476   1HG   PRO  62          HG2       PRO  62   4.483   3.146  -5.703
  477   2HG   PRO  62          HG3       PRO  62   3.402   4.313  -6.520
  478   1HD   PRO  62          HD2       PRO  62   2.671   1.706  -6.250
  479   2HD   PRO  62          HD3       PRO  62   2.346   2.639  -7.741
  480    H    THR  63          H         THR  63   7.655   2.631  -8.196
  481    HA   THR  63          HA        THR  63   8.598   0.922  -5.963
  482    HB   THR  63          HB        THR  63  10.053   2.566  -8.083
  483    HG1  THR  63          HG1       THR  63   9.049   0.879  -9.035
  484   1HG2  THR  63          HG23      THR  63  11.025   0.588  -6.017
  485   2HG2  THR  63          HG21      THR  63  12.002   1.145  -7.404
  486   3HG2  THR  63          HG22      THR  63  11.500   2.303  -6.160
  487    H    LEU  64          H         LEU  64   9.502   1.975  -4.063
  488    HA   LEU  64          HA        LEU  64   9.046   4.948  -3.912
  489   1HB   LEU  64          HB2       LEU  64   8.803   2.827  -1.761
  490   2HB   LEU  64          HB3       LEU  64   8.985   4.555  -1.458
  491    HG   LEU  64          HG        LEU  64   6.926   4.921  -2.966
  492   1HD1  LEU  64          HD13      LEU  64   6.582   1.964  -2.296
  493   2HD1  LEU  64          HD11      LEU  64   5.299   3.021  -2.920
  494   3HD1  LEU  64          HD12      LEU  64   6.693   2.648  -3.933
  495   1HD2  LEU  64          HD21      LEU  64   6.954   5.247  -0.521
  496   2HD2  LEU  64          HD22      LEU  64   5.423   4.535  -1.053
  497   3HD2  LEU  64          HD23      LEU  64   6.653   3.514  -0.277
  498    H    GLU  65          H         GLU  65  10.692   6.231  -3.341
  499    HA   GLU  65          HA        GLU  65  13.284   5.029  -2.432
  500   1HB   GLU  65          HB2       GLU  65  12.629   7.248  -4.354
  501   2HB   GLU  65          HB3       GLU  65  14.080   7.400  -3.362
  502   1HG   GLU  65          HG2       GLU  65  13.499   4.879  -4.963
  503   2HG   GLU  65          HG3       GLU  65  14.306   6.290  -5.681
  504    HE1  GLU  65          HE        GLU  65  16.658   5.259  -2.742
  505    H    ILE  66          H         ILE  66  13.081   5.095  -0.321
  506    HA   ILE  66          HA        ILE  66  11.873   7.396   1.066
  507    HB   ILE  66          HB        ILE  66  12.468   4.504   1.734
  508   1HG1  ILE  66          HG12      ILE  66   9.935   6.170   1.451
  509   2HG1  ILE  66          HG13      ILE  66  10.473   4.795   0.475
  510   1HG2  ILE  66          HG23      ILE  66  11.478   6.628   3.681
  511   2HG2  ILE  66          HG21      ILE  66  11.559   4.885   4.018
  512   3HG2  ILE  66          HG22      ILE  66  13.039   5.780   3.777
  513   1HD1  ILE  66          HD11      ILE  66  10.239   3.376   2.633
  514   2HD1  ILE  66          HD12      ILE  66   9.384   4.775   3.304
  515   3HD1  ILE  66          HD13      ILE  66   8.742   3.963   1.880
  516    HA   PRO  67          HA        PRO  67  16.036   8.317   2.650
  517   1HB   PRO  67          HB2       PRO  67  15.448  10.309   4.404
  518   2HB   PRO  67          HB3       PRO  67  15.422  10.544   2.631
  519   1HG   PRO  67          HG2       PRO  67  13.084  10.026   4.463
  520   2HG   PRO  67          HG3       PRO  67  13.203  11.229   3.160
  521   1HD   PRO  67          HD2       PRO  67  11.977   8.817   2.801
  522   2HD   PRO  67          HD3       PRO  67  12.895   9.623   1.487
  523    H    ALA  68          H         ALA  68  16.941   6.948   4.112
  524    HA   ALA  68          HA        ALA  68  15.571   5.265   5.831
  525   1HB   ALA  68          HB2       ALA  68  17.901   4.906   5.089
  526   2HB   ALA  68          HB3       ALA  68  18.440   6.261   6.107
  527   3HB   ALA  68          HB1       ALA  68  17.772   4.794   6.857
  528    H    GLY  69          H         GLY  69  14.939   5.224   7.939
  529   1HA   GLY  69          HA2       GLY  69  14.592   5.980  10.097
  530   2HA   GLY  69          HA3       GLY  69  15.508   7.455   9.777
  531    H    ALA  70          H         ALA  70  13.381   7.231   7.170
  532    HA   ALA  70          HA        ALA  70  11.627   9.244   8.020
  533   1HB   ALA  70          HB3       ALA  70  11.272   7.015   5.980
  534   2HB   ALA  70          HB2       ALA  70  10.157   8.380   6.161
  535   3HB   ALA  70          HB1       ALA  70  11.832   8.676   5.671
  536    H    THR  71          H         THR  71   9.464   9.241   8.592
  537    HA   THR  71          HA        THR  71   8.455   6.892  10.134
  538    HB   THR  71          HB        THR  71   7.564   9.813  10.095
  539    HG1  THR  71          HG1       THR  71   9.622   9.288  11.088
  540   1HG2  THR  71          HG22      THR  71   6.697   7.406  11.762
  541   2HG2  THR  71          HG23      THR  71   6.296   9.092  12.154
  542   3HG2  THR  71          HG21      THR  71   5.688   8.362  10.662
  543    H    VAL  72          H         VAL  72   7.860   5.601   8.466
  544    HA   VAL  72          HA        VAL  72   6.655   6.667   6.042
  545    HB   VAL  72          HB        VAL  72   7.148   3.777   6.829
  546   1HG1  VAL  72          HG13      VAL  72   6.862   5.208   4.145
  547   2HG1  VAL  72          HG11      VAL  72   7.263   3.496   4.382
  548   3HG1  VAL  72          HG12      VAL  72   5.671   4.110   4.874
  549   1HG2  VAL  72          HG23      VAL  72   8.989   5.793   5.463
  550   2HG2  VAL  72          HG21      VAL  72   9.284   4.977   7.011
  551   3HG2  VAL  72          HG22      VAL  72   9.264   4.037   5.522
  552    H    ASP  73          H         ASP  73   4.702   7.415   6.313
  553    HA   ASP  73          HA        ASP  73   2.642   6.001   7.929
  554   1HB   ASP  73          HB2       ASP  73   2.764   8.821   6.782
  555   2HB   ASP  73          HB3       ASP  73   1.410   8.127   7.679
  556    HD2  ASP  73          HD        ASP  73   4.883   9.047   8.213
  557    H    VAL  74          H         VAL  74   1.578   4.527   6.678
  558    HA   VAL  74          HA        VAL  74   1.101   5.173   3.785
  559    HB   VAL  74          HB        VAL  74   1.251   2.565   5.268
  560   1HG1  VAL  74          HG13      VAL  74   0.232   3.105   2.434
  561   2HG1  VAL  74          HG11      VAL  74   0.702   1.503   3.035
  562   3HG1  VAL  74          HG12      VAL  74  -0.676   2.337   3.755
  563   1HG2  VAL  74          HG22      VAL  74   3.384   3.560   4.443
  564   2HG2  VAL  74          HG23      VAL  74   2.942   2.051   3.606
  565   3HG2  VAL  74          HG21      VAL  74   2.709   3.608   2.801
  566    H    THR  75          H         THR  75  -0.771   6.016   3.380
  567    HA   THR  75          HA        THR  75  -3.092   5.475   5.082
  568    HB   THR  75          HB        THR  75  -2.979   7.182   2.579
  569    HG1  THR  75          HG1       THR  75  -1.473   7.911   3.998
  570   1HG2  THR  75          HG22      THR  75  -4.907   7.069   4.917
  571   2HG2  THR  75          HG23      THR  75  -4.873   8.344   3.683
  572   3HG2  THR  75          HG21      THR  75  -5.240   6.670   3.227
  573    H    PHE  76          H         PHE  76  -4.737   4.098   4.313
  574    HA   PHE  76          HA        PHE  76  -4.341   2.756   1.648
  575   1HB   PHE  76          HB2       PHE  76  -5.407   1.818   4.303
  576   2HB   PHE  76          HB3       PHE  76  -6.049   1.120   2.847
  577    HD1  PHE  76          HD2       PHE  76  -2.634   1.459   2.002
  578    HD2  PHE  76          HD1       PHE  76  -5.343  -0.862   4.407
  579    HE1  PHE  76          HE2       PHE  76  -2.032  -0.574   0.729
  580    HE2  PHE  76          HE1       PHE  76  -4.635  -2.919   3.226
  581    HZ   PHE  76          HZ        PHE  76  -3.182  -2.741   1.235
  582    H    ILE  77          H         ILE  77  -5.943   2.718   0.281
  583    HA   ILE  77          HA        ILE  77  -8.750   2.995   1.206
  584    HB   ILE  77          HB        ILE  77  -7.655   4.312  -1.336
  585   1HG1  ILE  77          HG12      ILE  77  -9.241   6.152  -0.080
  586   2HG1  ILE  77          HG13      ILE  77  -8.761   5.264   1.333
  587   1HG2  ILE  77          HG21      ILE  77 -10.458   3.890  -0.280
  588   2HG2  ILE  77          HG22      ILE  77 -10.055   4.879  -1.716
  589   3HG2  ILE  77          HG23      ILE  77  -9.843   3.144  -1.764
  590   1HD1  ILE  77          HD13      ILE  77  -6.306   5.644   0.590
  591   2HD1  ILE  77          HD11      ILE  77  -6.948   6.604  -0.756
  592   3HD1  ILE  77          HD12      ILE  77  -7.184   7.142   0.912
  593    H    ASN  78          H         ASN  78  -7.942   0.828   1.552
  594    HA   ASN  78          HA        ASN  78  -7.455  -0.829  -0.879
  595   1HB   ASN  78          HB2       ASN  78  -5.758  -0.915   0.811
  596   2HB   ASN  78          HB3       ASN  78  -6.901  -1.353   2.073
  597   1HD2  ASN  78          HD22      ASN  78  -7.208  -4.746   1.095
  598   2HD2  ASN  78          HD21      ASN  78  -8.295  -3.435   1.458
  599    H    THR  79          H         THR  79  -9.695  -0.264  -1.379
  600    HA   THR  79          HA        THR  79 -11.771  -1.316   0.378
  601    HB   THR  79          HB        THR  79 -13.198  -0.014  -1.301
  602    HG1  THR  79          HG1       THR  79 -11.909   1.345  -2.677
  603   1HG2  THR  79          HG23      THR  79 -12.284   0.924   0.810
  604   2HG2  THR  79          HG21      THR  79 -10.880   1.526  -0.076
  605   3HG2  THR  79          HG22      THR  79 -12.506   2.117  -0.478
  606    H    ASN  80          H         ASN  80 -11.596  -1.311  -3.149
  607    HA   ASN  80          HA        ASN  80 -12.435  -2.767  -4.692
  608   1HB   ASN  80          HB2       ASN  80 -10.302  -3.933  -4.087
  609   2HB   ASN  80          HB3       ASN  80 -11.202  -4.925  -2.930
  610   1HD2  ASN  80          HD21      ASN  80 -11.730  -5.527  -6.998
  611   2HD2  ASN  80          HD22      ASN  80 -11.166  -3.961  -6.433
  612    H    LYS  81          H         LYS  81 -13.466  -5.682  -3.736
  613    HA   LYS  81          HA        LYS  81 -15.693  -4.946  -1.997
  614   1HB   LYS  81          HB2       LYS  81 -16.145  -6.080  -4.805
  615   2HB   LYS  81          HB3       LYS  81 -17.343  -5.921  -3.506
  616   1HG   LYS  81          HG2       LYS  81 -17.126  -3.456  -3.589
  617   2HG   LYS  81          HG3       LYS  81 -15.906  -3.604  -4.857
  618   1HD   LYS  81          HD2       LYS  81 -17.992  -2.987  -5.833
  619   2HD   LYS  81          HD3       LYS  81 -17.510  -4.577  -6.420
  620   1HE   LYS  81          HE2       LYS  81 -19.439  -4.307  -4.072
  621   2HE   LYS  81          HE3       LYS  81 -20.005  -4.087  -5.733
  622   1HZ   LYS  81          HZ3       LYS  81 -19.233  -6.245  -6.285
  623   2HZ   LYS  81          HZ1       LYS  81 -18.685  -6.511  -4.757
  624   3HZ   LYS  81          HZ2       LYS  81 -20.295  -6.317  -5.029
  625    H    GLY  82          H         GLY  82 -15.734  -6.671  -0.566
  626   1HA   GLY  82          HA2       GLY  82 -15.717  -8.859   0.175
  627   2HA   GLY  82          HA3       GLY  82 -15.536  -9.417  -1.489
  628    H    PHE  83          H         PHE  83 -13.204  -8.480  -2.378
  629    HA   PHE  83          HA        PHE  83 -11.301 -10.134  -0.958
  630   1HB   PHE  83          HB2       PHE  83 -11.055  -8.332  -3.389
  631   2HB   PHE  83          HB3       PHE  83  -9.747  -9.311  -2.758
  632    HD1  PHE  83          HD1       PHE  83 -13.100  -9.473  -4.383
  633    HD2  PHE  83          HD2       PHE  83  -9.665 -11.719  -3.045
  634    HE1  PHE  83          HE1       PHE  83 -13.849 -11.418  -5.714
  635    HE2  PHE  83          HE2       PHE  83 -10.418 -13.659  -4.393
  636    HZ   PHE  83          HZ        PHE  83 -12.505 -13.510  -5.734
  637    H    GLY  84          H         GLY  84 -11.339  -8.961   1.077
  638   1HA   GLY  84          HA2       GLY  84 -10.133  -6.455   1.637
  639   2HA   GLY  84          HA3       GLY  84 -10.071  -7.887   2.647
  640    H    HIS  85          H         HIS  85  -8.538  -6.537  -0.321
  641    HA   HIS  85          HA        HIS  85  -6.148  -8.031  -0.259
  642   1HB   HIS  85          HB2       HIS  85  -6.522  -5.138  -1.076
  643   2HB   HIS  85          HB3       HIS  85  -5.111  -6.111  -1.462
  644    HD2  HIS  85          HD2       HIS  85  -8.672  -5.353  -2.482
  645    HE1  HIS  85          HE1       HIS  85  -7.141  -7.968  -5.447
  646    HE2  HIS  85          HE2       HIS  85  -9.085  -6.455  -4.815
  647    H    SER  86          H         SER  86  -3.908  -7.225   0.322
  648    HA   SER  86          HA        SER  86  -3.886  -5.680   2.851
  649   1HB   SER  86          HB2       SER  86  -2.401  -7.369   3.807
  650   2HB   SER  86          HB3       SER  86  -3.930  -8.124   3.380
  651    HG   SER  86          HG        SER  86  -1.564  -8.890   2.677
  652    H    PHE  87          H         PHE  87  -1.679  -4.923   3.332
  653    HA   PHE  87          HA        PHE  87   0.234  -4.885   1.055
  654   1HB   PHE  87          HB2       PHE  87  -0.963  -2.801   1.065
  655   2HB   PHE  87          HB3       PHE  87  -0.661  -2.554   2.781
  656    HD1  PHE  87          HD2       PHE  87   1.785  -2.129   3.514
  657    HD2  PHE  87          HD1       PHE  87   0.443  -1.916  -0.587
  658    HE1  PHE  87          HE2       PHE  87   3.613  -0.556   2.988
  659    HE2  PHE  87          HE1       PHE  87   2.199  -0.252  -1.065
  660    HZ   PHE  87          HZ        PHE  87   3.798   0.429   0.712
  661    H    ASP  88          H         ASP  88   1.446  -6.490   2.004
  662    HA   ASP  88          HA        ASP  88   2.195  -6.296   4.878
  663   1HB   ASP  88          HB2       ASP  88   2.354  -8.562   2.874
  664   2HB   ASP  88          HB3       ASP  88   3.006  -8.618   4.518
  665    HD1  ASP  88          HD        ASP  88  -0.035  -9.003   6.084
  666    H    ILE  89          H         ILE  89   4.272  -5.821   5.437
  667    HA   ILE  89          HA        ILE  89   6.064  -4.966   3.231
  668    HB   ILE  89          HB        ILE  89   5.892  -4.084   6.135
  669   1HG1  ILE  89          HG12      ILE  89   5.498  -2.275   3.756
  670   2HG1  ILE  89          HG13      ILE  89   4.138  -3.300   4.230
  671   1HG2  ILE  89          HG22      ILE  89   7.779  -3.254   3.910
  672   2HG2  ILE  89          HG23      ILE  89   7.563  -2.360   5.430
  673   3HG2  ILE  89          HG21      ILE  89   8.176  -4.011   5.474
  674   1HD1  ILE  89          HD13      ILE  89   5.598  -1.515   6.197
  675   2HD1  ILE  89          HD11      ILE  89   4.102  -1.085   5.341
  676   3HD1  ILE  89          HD12      ILE  89   4.127  -2.454   6.477
  677    H    THR  90          H         THR  90   8.023  -5.882   3.003
  678    HA   THR  90          HA        THR  90   9.351  -7.328   5.146
  679    HB   THR  90          HB        THR  90   7.779  -8.942   4.606
  680    HG1  THR  90          HG1       THR  90   9.169 -10.526   4.423
  681   1HG2  THR  90          HG23      THR  90   6.918  -8.237   2.425
  682   2HG2  THR  90          HG21      THR  90   8.451  -8.682   1.641
  683   3HG2  THR  90          HG22      THR  90   7.383  -9.918   2.333
  684    H    LYS  91          H         LYS  91  11.031  -8.772   3.409
  685    HA   LYS  91          HA        LYS  91  12.307  -6.633   1.733
  686   1HB   LYS  91          HB2       LYS  91  13.741  -8.505   3.663
  687   2HB   LYS  91          HB3       LYS  91  14.510  -7.317   2.594
  688   1HG   LYS  91          HG2       LYS  91  13.277  -5.492   3.768
  689   2HG   LYS  91          HG3       LYS  91  12.641  -6.659   4.926
  690   1HD   LYS  91          HD2       LYS  91  15.580  -5.987   4.413
  691   2HD   LYS  91          HD3       LYS  91  14.618  -5.437   5.786
  692   1HE   LYS  91          HE2       LYS  91  15.430  -8.322   5.196
  693   2HE   LYS  91          HE3       LYS  91  16.057  -7.277   6.472
  694   1HZ   LYS  91          HZ3       LYS  91  13.856  -7.215   7.420
  695   2HZ   LYS  91          HZ1       LYS  91  13.291  -8.228   6.249
  696   3HZ   LYS  91          HZ2       LYS  91  14.423  -8.759   7.319
  697    H    LYS  92          H         LYS  92  10.884  -9.619   1.654
  698    HA   LYS  92          HA        LYS  92  12.762 -11.056  -0.003
  699   1HB   LYS  92          HB2       LYS  92   9.741 -11.278   0.288
  700   2HB   LYS  92          HB3       LYS  92  10.781 -12.429  -0.575
  701   1HG   LYS  92          HG2       LYS  92  12.088 -12.746   1.571
  702   2HG   LYS  92          HG3       LYS  92  10.877 -11.781   2.416
  703   1HD   LYS  92          HD2       LYS  92  10.443 -14.421   0.938
  704   2HD   LYS  92          HD3       LYS  92  10.443 -14.171   2.685
  705   1HE   LYS  92          HE2       LYS  92   8.380 -13.145   0.676
  706   2HE   LYS  92          HE3       LYS  92   8.155 -14.374   1.920
  707   1HZ   LYS  92          HZ3       LYS  92   8.525 -12.667   3.585
  708   2HZ   LYS  92          HZ1       LYS  92   8.689 -11.537   2.404
  709   3HZ   LYS  92          HZ2       LYS  92   7.250 -12.319   2.607
  710    H    GLY  93          H         GLY  93  13.173 -10.780  -2.146
  711   1HA   GLY  93          HA2       GLY  93  11.779  -8.666  -3.647
  712   2HA   GLY  93          HA3       GLY  93  13.214  -9.580  -4.148
  713    HA   PRO  94          HA        PRO  94   9.321 -11.435  -6.106
  714   1HB   PRO  94          HB2       PRO  94   9.576 -10.500  -8.688
  715   2HB   PRO  94          HB3       PRO  94   8.735  -9.580  -7.411
  716   1HG   PRO  94          HG2       PRO  94  11.618  -9.286  -8.301
  717   2HG   PRO  94          HG3       PRO  94  10.393  -7.994  -8.124
  718   1HD   PRO  94          HD2       PRO  94  12.187  -8.519  -6.154
  719   2HD   PRO  94          HD3       PRO  94  10.487  -8.134  -5.745
  720    HA   PRO  95          HA        PRO  95   8.503 -12.616  -8.104
  721   1HB   PRO  95          HB2       PRO  95   8.108 -15.227  -8.707
  722   2HB   PRO  95          HB3       PRO  95   8.907 -14.115  -9.856
  723   1HG   PRO  95          HG2       PRO  95  10.247 -16.008  -7.896
  724   2HG   PRO  95          HG3       PRO  95  10.556 -15.866  -9.653
  725   1HD   PRO  95          HD2       PRO  95  12.093 -14.568  -7.790
  726   2HD   PRO  95          HD3       PRO  95  11.710 -13.804  -9.356
  727    H    TYR  96          H         TYR  96   6.691 -13.750  -6.987
  728    HA   TYR  96          HA        TYR  96   7.436 -14.744  -4.260
  729   1HB   TYR  96          HB2       TYR  96   4.947 -13.285  -5.106
  730   2HB   TYR  96          HB3       TYR  96   5.349 -13.840  -3.485
  731    HD1  TYR  96          HD1       TYR  96   7.380 -12.861  -2.293
  732    HD2  TYR  96          HD2       TYR  96   5.874 -11.202  -5.975
  733    HE1  TYR  96          HE1       TYR  96   8.717 -10.827  -1.925
  734    HE2  TYR  96          HE2       TYR  96   7.226  -9.178  -5.613
  735    HH   TYR  96          HH        TYR  96   9.345  -8.763  -2.755
  736    H    ALA  97          H         ALA  97   6.095 -16.453  -3.471
  737    HA   ALA  97          HA        ALA  97   5.308 -18.326  -5.584
  738   1HB   ALA  97          HB2       ALA  97   6.511 -19.124  -3.574
  739   2HB   ALA  97          HB3       ALA  97   5.160 -18.584  -2.553
  740   3HB   ALA  97          HB1       ALA  97   4.917 -19.889  -3.728
  741    H    VAL  98          H         VAL  98   3.209 -19.225  -5.792
  742    HA   VAL  98          HA        VAL  98   1.043 -17.402  -5.647
  743    HB   VAL  98          HB        VAL  98   1.108 -20.427  -5.943
  744   1HG1  VAL  98          HG13      VAL  98  -1.204 -18.495  -6.436
  745   2HG1  VAL  98          HG11      VAL  98  -1.170 -20.200  -6.925
  746   3HG1  VAL  98          HG12      VAL  98  -1.153 -19.780  -5.211
  747   1HG2  VAL  98          HG22      VAL  98   0.833 -18.187  -7.995
  748   2HG2  VAL  98          HG23      VAL  98   2.268 -19.207  -7.761
  749   3HG2  VAL  98          HG21      VAL  98   0.763 -19.925  -8.344
  750    H    MET  99          H         MET  99   2.176 -19.926  -3.432
  751    HA   MET  99          HA        MET  99   0.007 -19.605  -1.505
  752   1HB   MET  99          HB2       MET  99   2.672 -21.045  -1.431
  753   2HB   MET  99          HB3       MET  99   1.508 -21.004  -0.095
  754   1HG   MET  99          HG2       MET  99  -0.236 -21.946  -1.569
  755   2HG   MET  99          HG3       MET  99   0.933 -22.051  -2.894
  756   1HE   MET  99          HE2       MET  99  -0.957 -24.335  -1.810
  757   2HE   MET  99          HE3       MET  99   0.135 -24.516  -3.204
  758   3HE   MET  99          HE1       MET  99   0.142 -25.737  -1.904
  759    HA   PRO 100          HA        PRO 100   2.099 -15.757  -0.334
  760   1HB   PRO 100          HB2       PRO 100   0.311 -15.932   2.095
  761   2HB   PRO 100          HB3       PRO 100   0.649 -14.536   1.031
  762   1HG   PRO 100          HG2       PRO 100  -1.664 -15.922   0.760
  763   2HG   PRO 100          HG3       PRO 100  -0.735 -15.438  -0.694
  764   1HD   PRO 100          HD2       PRO 100  -0.716 -18.130   0.715
  765   2HD   PRO 100          HD3       PRO 100  -0.918 -17.761  -1.018
  766    H    VAL 101          H         VAL 101   4.181 -15.982   0.374
  767    HA   VAL 101          HA        VAL 101   4.895 -17.738   2.597
  768    HB   VAL 101          HB        VAL 101   6.631 -15.822   0.992
  769   1HG1  VAL 101          HG12      VAL 101   7.300 -18.351   2.581
  770   2HG1  VAL 101          HG13      VAL 101   8.450 -17.377   1.641
  771   3HG1  VAL 101          HG11      VAL 101   7.695 -16.695   3.079
  772   1HG2  VAL 101          HG21      VAL 101   5.899 -18.724   0.445
  773   2HG2  VAL 101          HG22      VAL 101   5.564 -17.318  -0.592
  774   3HG2  VAL 101          HG23      VAL 101   7.227 -17.852  -0.348
  775    H    ILE 102          H         ILE 102   3.264 -16.411   3.879
  776    HA   ILE 102          HA        ILE 102   4.016 -13.752   4.635
  777    HB   ILE 102          HB        ILE 102   2.166 -14.072   6.381
  778   1HG1  ILE 102          HG12      ILE 102   1.378 -16.446   4.661
  779   2HG1  ILE 102          HG13      ILE 102   2.213 -16.615   6.217
  780   1HG2  ILE 102          HG22      ILE 102   2.057 -12.780   4.310
  781   2HG2  ILE 102          HG23      ILE 102   1.626 -14.238   3.395
  782   3HG2  ILE 102          HG21      ILE 102   0.504 -13.576   4.612
  783   1HD1  ILE 102          HD11      ILE 102   0.370 -15.374   7.328
  784   2HD1  ILE 102          HD12      ILE 102  -0.489 -15.279   5.772
  785   3HD1  ILE 102          HD13      ILE 102  -0.185 -16.854   6.522
  786    H    ASP 103          H         ASP 103   4.801 -16.807   6.154
  787    HA   ASP 103          HA        ASP 103   5.273 -15.982   8.738
  788   1HB   ASP 103          HB2       ASP 103   6.972 -17.924   7.125
  789   2HB   ASP 103          HB3       ASP 103   7.089 -17.669   8.874
  790    HD1  ASP 103          HD        ASP 103   3.763 -19.365   7.352
  791    HA   PRO 104          HA        PRO 104   9.366 -13.740   7.882
  792   1HB   PRO 104          HB2       PRO 104  10.540 -13.591   5.437
  793   2HB   PRO 104          HB3       PRO 104  10.683 -15.025   6.481
  794   1HG   PRO 104          HG2       PRO 104   8.642 -14.609   4.269
  795   2HG   PRO 104          HG3       PRO 104   9.801 -15.967   4.429
  796   1HD   PRO 104          HD2       PRO 104   7.271 -16.185   5.336
  797   2HD   PRO 104          HD3       PRO 104   8.646 -16.803   6.306
  798    H    ILE 105          H         ILE 105   7.097 -12.513   8.097
  799    HA   ILE 105          HA        ILE 105   7.224 -10.189   6.216
  800    HB   ILE 105          HB        ILE 105   4.867 -11.381   7.685
  801   1HG1  ILE 105          HG12      ILE 105   5.337 -12.223   5.413
  802   2HG1  ILE 105          HG13      ILE 105   3.785 -11.367   5.509
  803   1HG2  ILE 105          HG22      ILE 105   5.031  -8.572   6.559
  804   2HG2  ILE 105          HG23      ILE 105   3.520  -9.425   6.919
  805   3HG2  ILE 105          HG21      ILE 105   4.657  -9.070   8.217
  806   1HD1  ILE 105          HD12      ILE 105   5.183  -9.354   4.493
  807   2HD1  ILE 105          HD13      ILE 105   6.373 -10.638   4.168
  808   3HD1  ILE 105          HD11      ILE 105   4.763 -10.736   3.458
  809    H    VAL 106          H         VAL 106   7.274  -8.124   7.166
  810    HA   VAL 106          HA        VAL 106   8.204  -8.184  10.010
  811    HB   VAL 106          HB        VAL 106   8.665  -6.093   7.838
  812   1HG1  VAL 106          HG13      VAL 106   9.771  -6.356  10.678
  813   2HG1  VAL 106          HG11      VAL 106  10.255  -5.138   9.478
  814   3HG1  VAL 106          HG12      VAL 106   8.620  -5.118  10.147
  815   1HG2  VAL 106          HG21      VAL 106  10.539  -8.158   9.058
  816   2HG2  VAL 106          HG22      VAL 106   9.943  -8.149   7.386
  817   3HG2  VAL 106          HG23      VAL 106  11.006  -6.853   7.948
  818    H    ALA 107          H         ALA 107   6.822  -5.511   8.202
  819    HA   ALA 107          HA        ALA 107   4.573  -5.306  10.188
  820   1HB   ALA 107          HB3       ALA 107   6.106  -3.326  10.161
  821   2HB   ALA 107          HB1       ALA 107   5.823  -3.139   8.419
  822   3HB   ALA 107          HB2       ALA 107   4.489  -2.915   9.573
  823    H    GLY 108          H         GLY 108   2.662  -4.046   8.966
  824   1HA   GLY 108          HA2       GLY 108   2.291  -4.253   6.240
  825   2HA   GLY 108          HA3       GLY 108   1.748  -5.814   6.939
  826    H    THR 109          H         THR 109  -0.157  -4.334   5.742
  827    HA   THR 109          HA        THR 109  -1.632  -2.863   7.786
  828    HB   THR 109          HB        THR 109  -3.384  -2.767   6.038
  829    HG1  THR 109          HG1       THR 109  -3.260  -4.569   4.886
  830   1HG2  THR 109          HG22      THR 109  -0.561  -2.101   5.101
  831   2HG2  THR 109          HG23      THR 109  -2.040  -1.452   4.395
  832   3HG2  THR 109          HG21      THR 109  -1.659  -1.094   6.076
  833    H    GLY 110          H         GLY 110  -1.989  -5.841   5.959
  834   1HA   GLY 110          HA2       GLY 110  -2.821  -7.970   6.791
  835   2HA   GLY 110          HA3       GLY 110  -3.683  -7.092   8.081
  836    H    PHE 111          H         PHE 111  -5.504  -8.479   6.769
  837    HA   PHE 111          HA        PHE 111  -6.334  -7.400   4.205
  838   1HB   PHE 111          HB2       PHE 111  -7.934  -9.193   6.027
  839   2HB   PHE 111          HB3       PHE 111  -8.055  -9.062   4.307
  840    HD1  PHE 111          HD2       PHE 111  -5.867  -9.670   2.892
  841    HD2  PHE 111          HD1       PHE 111  -6.529 -10.922   6.969
  842    HE1  PHE 111          HE2       PHE 111  -4.053 -11.333   2.675
  843    HE2  PHE 111          HE1       PHE 111  -4.707 -12.586   6.739
  844    HZ   PHE 111          HZ        PHE 111  -3.463 -12.794   4.590
  845    H    SER 112          H         SER 112  -8.036  -5.933   3.818
  846    HA   SER 112          HA        SER 112  -8.651  -4.229   6.074
  847   1HB   SER 112          HB2       SER 112  -9.454  -2.692   4.300
  848   2HB   SER 112          HB3       SER 112  -7.862  -3.356   3.894
  849    HG   SER 112          HG        SER 112  -9.887  -3.417   2.355
  850    HA   PRO 113          HA        PRO 113 -13.048  -5.194   6.403
  851   1HB   PRO 113          HB2       PRO 113 -14.008  -2.925   7.540
  852   2HB   PRO 113          HB3       PRO 113 -12.921  -4.034   8.422
  853   1HG   PRO 113          HG2       PRO 113 -12.158  -1.476   6.980
  854   2HG   PRO 113          HG3       PRO 113 -11.704  -1.986   8.627
  855   1HD   PRO 113          HD2       PRO 113 -10.093  -2.352   6.450
  856   2HD   PRO 113          HD3       PRO 113 -10.124  -3.527   7.801
  857    H    VAL 114          H         VAL 114 -13.230  -5.318   4.114
  858    HA   VAL 114          HA        VAL 114 -13.221  -3.306   2.288
  859    HB   VAL 114          HB        VAL 114 -14.543  -4.881   0.815
  860   1HG1  VAL 114          HG11      VAL 114 -12.068  -5.039   1.189
  861   2HG1  VAL 114          HG12      VAL 114 -12.391  -6.277   2.425
  862   3HG1  VAL 114          HG13      VAL 114 -12.864  -6.553   0.736
  863   1HG2  VAL 114          HG22      VAL 114 -14.720  -6.604   3.327
  864   2HG2  VAL 114          HG23      VAL 114 -16.086  -5.846   2.474
  865   3HG2  VAL 114          HG21      VAL 114 -15.111  -7.101   1.682
  866    HA   PRO 115          HA        PRO 115 -16.711  -0.708   2.272
  867   1HB   PRO 115          HB2       PRO 115 -17.398  -1.800  -0.479
  868   2HB   PRO 115          HB3       PRO 115 -17.465  -0.104   0.068
  869   1HG   PRO 115          HG2       PRO 115 -15.328  -0.927  -1.302
  870   2HG   PRO 115          HG3       PRO 115 -15.043  -0.041   0.236
  871   1HD   PRO 115          HD2       PRO 115 -15.034  -3.035  -0.234
  872   2HD   PRO 115          HD3       PRO 115 -13.829  -2.046   0.635
  873    H    LYS 116          H         LYS 116 -18.806  -0.672   2.902
  874    HA   LYS 116          HA        LYS 116 -20.537  -3.108   2.634
  875   1HB   LYS 116          HB2       LYS 116 -20.707  -0.738   4.498
  876   2HB   LYS 116          HB3       LYS 116 -21.680  -2.207   4.613
  877   1HG   LYS 116          HG2       LYS 116 -18.691  -1.892   5.178
  878   2HG   LYS 116          HG3       LYS 116 -19.963  -2.251   6.339
  879   1HD   LYS 116          HD2       LYS 116 -18.989  -4.095   4.102
  880   2HD   LYS 116          HD3       LYS 116 -18.609  -4.225   5.816
  881   1HE   LYS 116          HE2       LYS 116 -21.018  -4.586   6.342
  882   2HE   LYS 116          HE3       LYS 116 -21.409  -4.493   4.613
  883   1HZ   LYS 116          HZ3       LYS 116 -19.641  -6.479   5.843
  884   2HZ   LYS 116          HZ1       LYS 116 -21.190  -6.733   5.342
  885   3HZ   LYS 116          HZ2       LYS 116 -20.017  -6.376   4.241
  886    H    ASP 117          H         ASP 117 -19.869  -0.824   0.791
  887    HA   ASP 117          HA        ASP 117 -20.827   0.314  -0.874
  888   1HB   ASP 117          HB2       ASP 117 -22.908  -1.113  -0.753
  889   2HB   ASP 117          HB3       ASP 117 -23.564   0.038   0.437
  890    HD2  ASP 117          HD        ASP 117 -25.192   0.070  -1.296
  891    H    GLY 118          H         GLY 118 -21.101   2.569  -1.115
  892   1HA   GLY 118          HA2       GLY 118 -20.904   4.760  -0.451
  893   2HA   GLY 118          HA3       GLY 118 -21.675   4.357   1.087
  894    H    LYS 119          H         LYS 119 -19.930   2.581   2.251
  895    HA   LYS 119          HA        LYS 119 -17.894   4.379   3.122
  896   1HB   LYS 119          HB2       LYS 119 -18.399   1.491   3.938
  897   2HB   LYS 119          HB3       LYS 119 -17.368   2.666   4.775
  898   1HG   LYS 119          HG2       LYS 119 -19.484   4.157   4.921
  899   2HG   LYS 119          HG3       LYS 119 -20.397   2.689   4.534
  900   1HD   LYS 119          HD2       LYS 119 -18.467   3.094   6.877
  901   2HD   LYS 119          HD3       LYS 119 -20.232   3.102   6.979
  902   1HE   LYS 119          HE2       LYS 119 -20.328   0.741   6.284
  903   2HE   LYS 119          HE3       LYS 119 -18.563   0.692   6.101
  904   1HZ   LYS 119          HZ1       LYS 119 -18.365   1.165   8.425
  905   2HZ   LYS 119          HZ2       LYS 119 -20.004   1.170   8.604
  906   3HZ   LYS 119          HZ3       LYS 119 -19.225  -0.214   8.165
  907    H    PHE 120          H         PHE 120 -15.673   3.922   3.345
  908    HA   PHE 120          HA        PHE 120 -14.366   2.316   1.166
  909   1HB   PHE 120          HB2       PHE 120 -14.273   5.224   1.925
  910   2HB   PHE 120          HB3       PHE 120 -12.774   4.529   1.379
  911    HD1  PHE 120          HD1       PHE 120 -16.434   4.730   0.365
  912    HD2  PHE 120          HD2       PHE 120 -12.371   4.421  -0.974
  913    HE1  PHE 120          HE1       PHE 120 -17.219   4.548  -1.960
  914    HE2  PHE 120          HE2       PHE 120 -13.142   4.250  -3.308
  915    HZ   PHE 120          HZ        PHE 120 -15.555   4.314  -3.816
  916    H    GLY 121          H         GLY 121 -13.714   0.701   2.604
  917   1HA   GLY 121          HA2       GLY 121 -12.508   0.760   5.068
  918   2HA   GLY 121          HA3       GLY 121 -12.041  -0.327   3.760
  919    H    TYR 122          H         TYR 122 -10.896   2.018   5.865
  920    HA   TYR 122          HA        TYR 122  -8.549   2.555   4.171
  921   1HB   TYR 122          HB2       TYR 122  -8.584   4.851   4.400
  922   2HB   TYR 122          HB3       TYR 122 -10.275   4.516   4.218
  923    HD1  TYR 122          HD2       TYR 122 -11.595   4.364   6.494
  924    HD2  TYR 122          HD1       TYR 122  -7.688   6.099   6.156
  925    HE1  TYR 122          HE2       TYR 122 -12.138   5.939   8.356
  926    HE2  TYR 122          HE1       TYR 122  -8.135   7.516   8.120
  927    HH   TYR 122          HH        TYR 122  -9.704   8.191   9.682
  928    H    THR 123          H         THR 123  -6.884   3.761   5.559
  929    HA   THR 123          HA        THR 123  -6.654   3.106   8.327
  930    HB   THR 123          HB        THR 123  -5.732   1.128   6.267
  931    HG1  THR 123          HG1       THR 123  -7.324   0.897   7.903
  932   1HG2  THR 123          HG21      THR 123  -3.940   1.724   8.624
  933   2HG2  THR 123          HG22      THR 123  -3.896   0.276   7.582
  934   3HG2  THR 123          HG23      THR 123  -3.508   1.859   6.902
  935    H    ASP 124          H         ASP 124  -4.669   3.852   9.129
  936    HA   ASP 124          HA        ASP 124  -2.751   5.267   7.402
  937   1HB   ASP 124          HB2       ASP 124  -4.519   6.596   9.480
  938   2HB   ASP 124          HB3       ASP 124  -2.827   7.084   9.335
  939    HD1  ASP 124          HD        ASP 124  -3.019   8.128   6.012
  940    H    PHE 125          H         PHE 125  -1.300   3.629   7.901
  941    HA   PHE 125          HA        PHE 125  -0.815   3.183  10.823
  942   1HB   PHE 125          HB2       PHE 125  -0.353   1.034  10.603
  943   2HB   PHE 125          HB3       PHE 125  -1.636   1.211   9.434
  944    HD1  PHE 125          HD1       PHE 125  -0.793   1.691   6.904
  945    HD2  PHE 125          HD2       PHE 125   1.500  -0.252  10.008
  946    HE1  PHE 125          HE1       PHE 125   0.352   0.298   5.208
  947    HE2  PHE 125          HE2       PHE 125   2.615  -1.641   8.307
  948    HZ   PHE 125          HZ        PHE 125   1.944  -1.456   5.912
  949    H    THR 126          H         THR 126   1.429   2.994  11.399
  950    HA   THR 126          HA        THR 126   3.251   4.574   9.645
  951    HB   THR 126          HB        THR 126   3.083   4.500  12.676
  952    HG1  THR 126          HG1       THR 126   2.235   6.599  10.974
  953   1HG2  THR 126          HG21      THR 126   4.593   6.284  10.720
  954   2HG2  THR 126          HG22      THR 126   4.418   6.614  12.461
  955   3HG2  THR 126          HG23      THR 126   5.304   5.178  11.916
  956    H    TRP 127          H         TRP 127   5.345   3.798   9.341
  957    HA   TRP 127          HA        TRP 127   6.420   1.797  11.185
  958   1HB   TRP 127          HB2       TRP 127   7.168   0.392   9.158
  959   2HB   TRP 127          HB3       TRP 127   5.511   0.253   9.714
  960    HD1  TRP 127          HD1       TRP 127   3.629   1.642   8.283
  961    HE1  TRP 127          HE1       TRP 127   3.353   1.820   5.780
  962    HE3  TRP 127          HE3       TRP 127   8.383   0.340   6.849
  963    HZ2  TRP 127          HZ2       TRP 127   5.023   1.460   3.384
  964    HZ3  TRP 127          HZ3       TRP 127   8.985   0.249   4.473
  965    HH2  TRP 127          HH2       TRP 127   7.322   0.865   2.737
  966    H    HIS 128          H         HIS 128   8.719   1.379  10.810
  967    HA   HIS 128          HA        HIS 128  10.210   3.703   9.657
  968   1HB   HIS 128          HB2       HIS 128  10.523   2.489  12.427
  969   2HB   HIS 128          HB3       HIS 128  11.660   3.598  11.661
  970    HD1  HIS 128          HD1       HIS 128   8.185   3.599  13.275
  971    HD2  HIS 128          HD2       HIS 128  11.010   6.192  11.510
  972    HE1  HIS 128          HE1       HIS 128   7.405   5.993  13.783
  973    HE2  HIS 128          HE2       HIS 128   9.102   7.561  12.650
  974    HA   PRO 129          HA        PRO 129  11.934  -0.413   8.446
  975   1HB   PRO 129          HB2       PRO 129  12.469   0.031   5.845
  976   2HB   PRO 129          HB3       PRO 129  10.793  -0.182   6.412
  977   1HG   PRO 129          HG2       PRO 129  12.231   2.439   5.895
  978   2HG   PRO 129          HG3       PRO 129  10.618   1.950   5.309
  979   1HD   PRO 129          HD2       PRO 129  11.039   3.469   7.568
  980   2HD   PRO 129          HD3       PRO 129   9.657   2.339   7.449
  981    H    THR 130          H         THR 130  14.128  -1.067   8.152
  982    HA   THR 130          HA        THR 130  16.154   0.964   8.763
  983    HB   THR 130          HB        THR 130  17.679  -1.000   8.821
  984    HG1  THR 130          HG1       THR 130  16.928  -2.998   8.423
  985   1HG2  THR 130          HG22      THR 130  16.412  -0.316  10.855
  986   2HG2  THR 130          HG23      THR 130  15.102  -1.431  10.408
  987   3HG2  THR 130          HG21      THR 130  16.710  -2.064  10.809
  988    H    ALA 131          H         ALA 131  18.245   0.966   7.443
  989    HA   ALA 131          HA        ALA 131  17.480   1.721   4.832
  990   1HB   ALA 131          HB1       ALA 131  19.326   2.817   6.045
  991   2HB   ALA 131          HB2       ALA 131  20.309   1.346   5.859
  992   3HB   ALA 131          HB3       ALA 131  19.807   2.281   4.429
  993    H    GLY 132          H         GLY 132  18.300   0.966   2.804
  994   1HA   GLY 132          HA2       GLY 132  19.493  -0.743   1.514
  995   2HA   GLY 132          HA3       GLY 132  18.819  -1.987   2.591
  996    H    THR 133          H         THR 133  16.936  -2.932   1.788
  997    HA   THR 133          HA        THR 133  15.062  -1.308   0.258
  998    HB   THR 133          HB        THR 133  16.373  -3.743  -1.011
  999    HG1  THR 133          HG1       THR 133  16.888  -1.022  -1.086
 1000   1HG2  THR 133          HG23      THR 133  14.318  -1.752  -2.088
 1001   2HG2  THR 133          HG21      THR 133  15.119  -3.027  -3.028
 1002   3HG2  THR 133          HG22      THR 133  14.016  -3.462  -1.714
 1003    H    TYR 134          H         TYR 134  13.106  -1.859   0.690
 1004    HA   TYR 134          HA        TYR 134  12.391  -4.441   1.963
 1005   1HB   TYR 134          HB2       TYR 134  11.451  -1.581   2.390
 1006   2HB   TYR 134          HB3       TYR 134  10.394  -2.945   2.726
 1007    HD1  TYR 134          HD2       TYR 134  14.046  -2.107   3.478
 1008    HD2  TYR 134          HD1       TYR 134  10.173  -3.219   4.991
 1009    HE1  TYR 134          HE2       TYR 134  15.005  -2.386   5.719
 1010    HE2  TYR 134          HE1       TYR 134  11.113  -3.344   7.282
 1011    HH   TYR 134          HH        TYR 134  14.585  -2.877   7.941
 1012    H    TYR 135          H         TYR 135   9.965  -4.861   1.409
 1013    HA   TYR 135          HA        TYR 135   9.185  -3.937  -1.270
 1014   1HB   TYR 135          HB2       TYR 135   9.590  -6.841  -0.466
 1015   2HB   TYR 135          HB3       TYR 135   8.608  -6.341  -1.837
 1016    HD1  TYR 135          HD1       TYR 135  12.093  -6.367  -0.506
 1017    HD2  TYR 135          HD2       TYR 135   9.573  -5.785  -3.947
 1018    HE1  TYR 135          HE1       TYR 135  14.087  -6.400  -1.952
 1019    HE2  TYR 135          HE2       TYR 135  11.582  -5.901  -5.412
 1020    HH   TYR 135          HH        TYR 135  14.876  -6.278  -4.123
 1021    H    TYR 136          H         TYR 136   6.932  -3.996  -1.551
 1022    HA   TYR 136          HA        TYR 136   5.319  -4.774   0.841
 1023   1HB   TYR 136          HB2       TYR 136   3.615  -3.270   0.161
 1024   2HB   TYR 136          HB3       TYR 136   5.103  -2.399   0.452
 1025    HD1  TYR 136          HD1       TYR 136   2.658  -3.478  -2.128
 1026    HD2  TYR 136          HD2       TYR 136   6.193  -1.160  -1.339
 1027    HE1  TYR 136          HE1       TYR 136   2.310  -2.184  -4.256
 1028    HE2  TYR 136          HE2       TYR 136   5.832   0.104  -3.441
 1029    HH   TYR 136          HH        TYR 136   4.601   0.225  -5.377
 1030    H    VAL 137          H         VAL 137   3.854  -6.395   0.479
 1031    HA   VAL 137          HA        VAL 137   3.142  -7.144  -2.319
 1032    HB   VAL 137          HB        VAL 137   3.385  -9.530  -1.684
 1033   1HG1  VAL 137          HG13      VAL 137   5.979  -7.944  -1.607
 1034   2HG1  VAL 137          HG11      VAL 137   5.853  -9.702  -1.775
 1035   3HG1  VAL 137          HG12      VAL 137   5.160  -8.669  -3.018
 1036   1HG2  VAL 137          HG21      VAL 137   3.342  -9.319   0.785
 1037   2HG2  VAL 137          HG22      VAL 137   4.764 -10.201   0.233
 1038   3HG2  VAL 137          HG23      VAL 137   4.925  -8.515   0.751
 1039    H    CYS 138          H         CYS 138   1.063  -7.946  -2.517
 1040    HA   CYS 138          HA        CYS 138  -0.710  -7.790  -0.108
 1041   1HB   CYS 138          HB2       CYS 138  -1.660  -6.805  -2.113
 1042   2HB   CYS 138          HB3       CYS 138  -1.160  -8.210  -3.048
 1043    H    GLN 139          H         GLN 139  -1.570  -9.675   0.844
 1044    HA   GLN 139          HA        GLN 139  -0.243 -12.212  -0.082
 1045   1HB   GLN 139          HB2       GLN 139  -0.860 -11.223   2.705
 1046   2HB   GLN 139          HB3       GLN 139  -0.165 -12.793   2.312
 1047   1HG   GLN 139          HG2       GLN 139   1.134 -10.125   1.562
 1048   2HG   GLN 139          HG3       GLN 139   1.520 -11.060   2.993
 1049   1HE2  GLN 139          HE21      GLN 139   2.925 -12.367  -0.646
 1050   2HE2  GLN 139          HE22      GLN 139   1.558 -11.267  -0.643
 1051    H    ILE 140          H         ILE 140  -2.634 -11.512  -1.222
 1052    HA   ILE 140          HA        ILE 140  -4.454 -13.606  -0.128
 1053    HB   ILE 140          HB        ILE 140  -4.814 -11.497  -2.262
 1054   1HG1  ILE 140          HG12      ILE 140  -6.142 -12.084   0.426
 1055   2HG1  ILE 140          HG13      ILE 140  -5.060 -10.734   0.057
 1056   1HG2  ILE 140          HG22      ILE 140  -5.856 -13.664  -3.005
 1057   2HG2  ILE 140          HG23      ILE 140  -6.777 -13.698  -1.484
 1058   3HG2  ILE 140          HG21      ILE 140  -7.047 -12.420  -2.680
 1059   1HD1  ILE 140          HD11      ILE 140  -6.760  -9.873  -1.574
 1060   2HD1  ILE 140          HD12      ILE 140  -7.873 -11.158  -1.030
 1061   3HD1  ILE 140          HD13      ILE 140  -7.305  -9.948   0.117
 1062    HA   PRO 141          HA        PRO 141  -2.101 -16.502  -2.454
 1063   1HB   PRO 141          HB2       PRO 141  -4.834 -17.454  -3.368
 1064   2HB   PRO 141          HB3       PRO 141  -3.397 -18.452  -2.983
 1065   1HG   PRO 141          HG2       PRO 141  -5.280 -18.064  -1.077
 1066   2HG   PRO 141          HG3       PRO 141  -3.555 -17.882  -0.648
 1067   1HD   PRO 141          HD2       PRO 141  -5.590 -15.727  -1.171
 1068   2HD   PRO 141          HD3       PRO 141  -4.264 -15.785   0.030
 1069    H    GLY 142          H         GLY 142  -1.009 -16.385  -4.314
 1070   1HA   GLY 142          HA2       GLY 142  -0.573 -16.093  -6.560
 1071   2HA   GLY 142          HA3       GLY 142  -2.287 -15.843  -6.864
 1072    H    HIS 143          H         HIS 143  -2.189 -13.486  -4.734
 1073    HA   HIS 143          HA        HIS 143  -2.038 -11.535  -6.796
 1074   1HB   HIS 143          HB2       HIS 143  -2.134 -11.188  -3.791
 1075   2HB   HIS 143          HB3       HIS 143  -2.189  -9.878  -4.964
 1076    HD2  HIS 143          HD2       HIS 143  -4.181 -12.981  -6.014
 1077    HE1  HIS 143          HE1       HIS 143  -7.033 -10.192  -4.592
 1078    HE2  HIS 143          HE2       HIS 143  -6.693 -12.406  -5.782
 1079    H    ALA 144          H         ALA 144   0.302 -12.026  -4.071
 1080    HA   ALA 144          HA        ALA 144   2.219 -10.159  -4.967
 1081   1HB   ALA 144          HB2       ALA 144   2.318 -11.331  -2.797
 1082   2HB   ALA 144          HB3       ALA 144   2.808 -12.829  -3.621
 1083   3HB   ALA 144          HB1       ALA 144   3.846 -11.387  -3.684
 1084    H    ALA 145          H         ALA 145   1.851 -13.627  -5.790
 1085    HA   ALA 145          HA        ALA 145   4.142 -13.913  -7.388
 1086   1HB   ALA 145          HB3       ALA 145   2.780 -15.790  -6.493
 1087   2HB   ALA 145          HB1       ALA 145   1.496 -15.407  -7.659
 1088   3HB   ALA 145          HB2       ALA 145   3.086 -15.947  -8.228
 1089    H    THR 146          H         THR 146   0.854 -12.857  -8.314
 1090    HA   THR 146          HA        THR 146   1.540 -12.767 -11.150
 1091    HB   THR 146          HB        THR 146  -0.698 -11.590 -11.315
 1092    HG1  THR 146          HG1       THR 146  -0.924 -12.416  -8.610
 1093   1HG2  THR 146          HG23      THR 146  -0.585 -14.332  -9.965
 1094   2HG2  THR 146          HG21      THR 146  -1.985 -13.658 -10.828
 1095   3HG2  THR 146          HG22      THR 146  -0.482 -14.002 -11.705
 1096    H    GLY 147          H         GLY 147   1.276 -10.350  -8.498
 1097   1HA   GLY 147          HA2       GLY 147   3.345  -8.826  -8.999
 1098   2HA   GLY 147          HA3       GLY 147   2.389  -8.278 -10.376
 1099    H    MET 148          H         MET 148   0.642  -8.931  -7.346
 1100    HA   MET 148          HA        MET 148   0.065  -6.059  -7.185
 1101   1HB   MET 148          HB2       MET 148  -1.569  -8.027  -6.731
 1102   2HB   MET 148          HB3       MET 148  -0.872  -8.066  -5.112
 1103   1HG   MET 148          HG2       MET 148  -1.357  -6.010  -4.521
 1104   2HG   MET 148          HG3       MET 148  -1.762  -5.458  -6.144
 1105   1HE   MET 148          HE3       MET 148  -3.424  -4.230  -5.130
 1106   2HE   MET 148          HE2       MET 148  -4.787  -4.834  -4.134
 1107   3HE   MET 148          HE1       MET 148  -3.099  -5.014  -3.553
 1108    H    PHE 149          H         PHE 149   2.397  -5.474  -6.900
 1109    HA   PHE 149          HA        PHE 149   3.198  -5.391  -4.090
 1110   1HB   PHE 149          HB2       PHE 149   4.982  -6.859  -4.177
 1111   2HB   PHE 149          HB3       PHE 149   3.912  -7.669  -5.285
 1112    HD1  PHE 149          HD1       PHE 149   4.253  -6.587  -7.886
 1113    HD2  PHE 149          HD2       PHE 149   7.211  -6.628  -4.750
 1114    HE1  PHE 149          HE1       PHE 149   6.036  -6.338  -9.568
 1115    HE2  PHE 149          HE2       PHE 149   8.988  -6.322  -6.436
 1116    HZ   PHE 149          HZ        PHE 149   8.412  -6.196  -8.855
 1117    H    GLY 150          H         GLY 150   5.633  -4.487  -4.052
 1118   1HA   GLY 150          HA2       GLY 150   6.729  -3.112  -6.289
 1119   2HA   GLY 150          HA3       GLY 150   5.857  -1.942  -5.319
 1120    H    LYS 151          H         LYS 151   8.512  -1.631  -5.556
 1121    HA   LYS 151          HA        LYS 151   9.899  -3.008  -3.314
 1122   1HB   LYS 151          HB2       LYS 151  11.400  -1.405  -5.345
 1123   2HB   LYS 151          HB3       LYS 151  11.845  -2.859  -4.467
 1124   1HG   LYS 151          HG2       LYS 151  10.198  -4.131  -5.947
 1125   2HG   LYS 151          HG3       LYS 151   9.974  -2.628  -6.861
 1126   1HD   LYS 151          HD2       LYS 151  12.370  -2.531  -7.401
 1127   2HD   LYS 151          HD3       LYS 151  12.671  -4.000  -6.465
 1128   1HE   LYS 151          HE2       LYS 151  12.555  -4.527  -8.849
 1129   2HE   LYS 151          HE3       LYS 151  11.202  -5.293  -8.002
 1130   1HZ   LYS 151          HZ1       LYS 151  11.061  -2.767  -9.503
 1131   2HZ   LYS 151          HZ2       LYS 151  10.551  -4.234 -10.055
 1132   3HZ   LYS 151          HZ3       LYS 151   9.796  -3.529  -8.773
 1133    H    ILE 152          H         ILE 152  11.070  -1.764  -1.812
 1134    HA   ILE 152          HA        ILE 152  10.473   1.173  -1.694
 1135    HB   ILE 152          HB        ILE 152  10.507  -0.886   0.533
 1136   1HG1  ILE 152          HG12      ILE 152   8.009   0.634  -0.129
 1137   2HG1  ILE 152          HG13      ILE 152   8.397  -0.812  -1.068
 1138   1HG2  ILE 152          HG23      ILE 152  11.268   1.373   1.256
 1139   2HG2  ILE 152          HG21      ILE 152   9.803   2.080   0.558
 1140   3HG2  ILE 152          HG22      ILE 152   9.699   0.997   1.960
 1141   1HD1  ILE 152          HD13      ILE 152   8.434  -0.895   1.965
 1142   2HD1  ILE 152          HD11      ILE 152   6.987  -1.234   0.998
 1143   3HD1  ILE 152          HD12      ILE 152   8.444  -2.228   0.817
 1144    H    VAL 153          H         VAL 153  12.585   1.866  -2.339
 1145    HA   VAL 153          HA        VAL 153  14.956   0.564  -1.137
 1146    HB   VAL 153          HB        VAL 153  14.706   3.146  -2.675
 1147   1HG1  VAL 153          HG12      VAL 153  17.095   1.369  -1.944
 1148   2HG1  VAL 153          HG13      VAL 153  17.182   2.707  -3.108
 1149   3HG1  VAL 153          HG11      VAL 153  16.795   3.036  -1.418
 1150   1HG2  VAL 153          HG23      VAL 153  15.376   0.333  -3.681
 1151   2HG2  VAL 153          HG21      VAL 153  13.947   1.292  -4.125
 1152   3HG2  VAL 153          HG22      VAL 153  15.553   1.816  -4.643
 1153    H    VAL 154          H         VAL 154  15.863   1.292   0.777
 1154    HA   VAL 154          HA        VAL 154  14.732   3.778   2.031
 1155    HB   VAL 154          HB        VAL 154  15.634   1.232   3.417
 1156   1HG1  VAL 154          HG12      VAL 154  14.218   3.756   4.413
 1157   2HG1  VAL 154          HG13      VAL 154  14.612   2.340   5.400
 1158   3HG1  VAL 154          HG11      VAL 154  15.911   3.334   4.733
 1159   1HG2  VAL 154          HG22      VAL 154  12.822   2.274   2.903
 1160   2HG2  VAL 154          HG23      VAL 154  13.534   0.779   2.243
 1161   3HG2  VAL 154          HG21      VAL 154  13.258   0.927   3.975
 1162    H    LYS 155          H         LYS 155  16.379   5.168   1.355
 1163    HA   LYS 155          HA        LYS 155  19.006   4.752   2.611
 1164   1HB   LYS 155          HB2       LYS 155  18.858   5.079  -0.413
 1165   2HB   LYS 155          HB3       LYS 155  20.313   5.083   0.611
 1166   1HG   LYS 155          HG2       LYS 155  19.938   2.752   1.234
 1167   2HG   LYS 155          HG3       LYS 155  18.496   2.676   0.202
 1168   1HD   LYS 155          HD2       LYS 155  19.822   3.220  -1.788
 1169   2HD   LYS 155          HD3       LYS 155  21.300   3.304  -0.816
 1170   1HE   LYS 155          HE2       LYS 155  19.530   0.820  -1.090
 1171   2HE   LYS 155          HE3       LYS 155  20.996   1.127  -2.035
 1172   1HZ   LYS 155          HZ2       LYS 155  22.240   1.175  -0.003
 1173   2HZ   LYS 155          HZ3       LYS 155  20.886   0.873   0.884
 1174   3HZ   LYS 155          HZ1       LYS 155  21.447  -0.259  -0.172
   
  No H/Q in entry =        1174
  Start of MODEL    3
    1    H    GLY   1          H         GLY   1  -2.702 -12.477  11.101
    2   1HA   GLY   1          HA2       GLY   1  -3.605 -11.366   9.005
    3   2HA   GLY   1          HA3       GLY   1  -4.866 -11.962  10.103
    4    H    THR   2          H         THR   2  -4.446  -9.961  12.160
    5    HA   THR   2          HA        THR   2  -5.973  -7.715  11.082
    6    HB   THR   2          HB        THR   2  -5.897  -7.175  13.617
    7    HG1  THR   2          HG1       THR   2  -5.196  -8.964  14.870
    8   1HG2  THR   2          HG22      THR   2  -7.829  -8.307  12.536
    9   2HG2  THR   2          HG21      THR   2  -7.029  -9.880  12.743
   10   3HG2  THR   2          HG23      THR   2  -7.532  -8.942  14.164
   11    H    LEU   3          H         LEU   3  -2.711  -8.460  11.940
   12    HA   LEU   3          HA        LEU   3  -0.938  -7.172  12.580
   13   1HB   LEU   3          HB2       LEU   3  -1.577  -7.132   9.728
   14   2HB   LEU   3          HB3       LEU   3  -0.407  -5.927  10.123
   15    HG   LEU   3          HG        LEU   3   0.655  -7.921   9.361
   16   1HD1  LEU   3          HD11      LEU   3   1.790  -6.610  11.081
   17   2HD1  LEU   3          HD12      LEU   3   1.183  -7.708  12.340
   18   3HD1  LEU   3          HD13      LEU   3   2.262  -8.319  11.076
   19   1HD2  LEU   3          HD22      LEU   3  -1.126  -9.564   9.983
   20   2HD2  LEU   3          HD21      LEU   3   0.488 -10.092  10.495
   21   3HD2  LEU   3          HD23      LEU   3  -0.644  -9.430  11.689
   22    H    ASP   4          H         ASP   4  -2.330  -4.734  10.448
   23    HA   ASP   4          HA        ASP   4  -1.082  -2.558  11.701
   24   1HB   ASP   4          HB2       ASP   4  -1.738  -2.037   9.625
   25   2HB   ASP   4          HB3       ASP   4  -3.273  -2.939   9.719
   26    HD2  ASP   4          HD        ASP   4  -5.142  -0.367  10.465
   27    H    THR   5          H         THR   5  -4.302  -3.937  12.339
   28    HA   THR   5          HA        THR   5  -5.910  -3.546  13.822
   29    HB   THR   5          HB        THR   5  -5.513  -2.886  16.056
   30    HG1  THR   5          HG1       THR   5  -2.999  -1.966  15.157
   31   1HG2  THR   5          HG21      THR   5  -4.758  -5.146  15.315
   32   2HG2  THR   5          HG22      THR   5  -3.120  -4.497  15.092
   33   3HG2  THR   5          HG23      THR   5  -3.851  -4.514  16.704
   34    H    THR   6          H         THR   6  -4.071  -0.537  13.251
   35    HA   THR   6          HA        THR   6  -6.302   1.205  13.889
   36    HB   THR   6          HB        THR   6  -3.654   1.731  12.430
   37    HG1  THR   6          HG1       THR   6  -3.518   0.894  14.598
   38   1HG2  THR   6          HG21      THR   6  -5.626   3.613  13.808
   39   2HG2  THR   6          HG22      THR   6  -4.016   4.050  13.188
   40   3HG2  THR   6          HG23      THR   6  -5.287   3.556  12.061
   41    H    TRP   7          H         TRP   7  -7.783  -0.062  12.584
   42    HA   TRP   7          HA        TRP   7  -7.794   0.339   9.607
   43   1HB   TRP   7          HB2       TRP   7  -9.403  -1.428  11.547
   44   2HB   TRP   7          HB3       TRP   7  -9.617  -1.386   9.803
   45    HD1  TRP   7          HD1       TRP   7  -7.852  -3.299  12.394
   46    HE1  TRP   7          HE1       TRP   7  -6.135  -4.923  11.335
   47    HE3  TRP   7          HE3       TRP   7  -7.868  -1.462   7.667
   48    HZ2  TRP   7          HZ2       TRP   7  -5.184  -5.515   8.673
   49    HZ3  TRP   7          HZ3       TRP   7  -6.371  -2.414   5.943
   50    HH2  TRP   7          HH2       TRP   7  -5.167  -4.526   6.377
   51    H    LYS   8          H         LYS   8  -9.501   1.729   8.742
   52    HA   LYS   8          HA        LYS   8 -11.874   2.212  10.362
   53   1HB   LYS   8          HB2       LYS   8  -9.992   4.505   9.611
   54   2HB   LYS   8          HB3       LYS   8 -11.635   4.708  10.234
   55   1HG   LYS   8          HG2       LYS   8 -10.889   3.544  12.360
   56   2HG   LYS   8          HG3       LYS   8  -9.245   3.579  11.719
   57   1HD   LYS   8          HD2       LYS   8  -9.494   5.423  13.223
   58   2HD   LYS   8          HD3       LYS   8  -9.275   6.028  11.581
   59   1HE   LYS   8          HE2       LYS   8 -10.965   7.310  12.856
   60   2HE   LYS   8          HE3       LYS   8 -11.675   6.575  11.422
   61   1HZ   LYS   8          HZ1       LYS   8 -11.857   5.514  14.157
   62   2HZ   LYS   8          HZ2       LYS   8 -13.052   6.310  13.346
   63   3HZ   LYS   8          HZ3       LYS   8 -12.542   4.835  12.819
   64    H    GLU   9          H         GLU   9 -13.174   4.129   8.974
   65    HA   GLU   9          HA        GLU   9 -12.609   3.724   6.154
   66   1HB   GLU   9          HB2       GLU   9 -15.508   3.551   6.955
   67   2HB   GLU   9          HB3       GLU   9 -14.713   3.176   5.423
   68   1HG   GLU   9          HG2       GLU   9 -15.348   1.068   6.403
   69   2HG   GLU   9          HG3       GLU   9 -13.603   1.176   6.656
   70    HE2  GLU   9          HE        GLU   9 -14.137   0.482   9.968
   71    H    ALA  10          H         ALA  10 -13.342   5.370   4.867
   72    HA   ALA  10          HA        ALA  10 -14.427   7.855   6.136
   73   1HB   ALA  10          HB3       ALA  10 -11.945   7.986   5.561
   74   2HB   ALA  10          HB1       ALA  10 -12.381   7.653   3.867
   75   3HB   ALA  10          HB2       ALA  10 -12.975   9.122   4.706
   76    H    THR  11          H         THR  11 -14.580   9.068   3.378
   77    HA   THR  11          HA        THR  11 -16.208   7.130   1.882
   78    HB   THR  11          HB        THR  11 -18.026   8.600   1.542
   79    HG1  THR  11          HG1       THR  11 -16.415  10.525   2.892
   80   1HG2  THR  11          HG21      THR  11 -18.034   7.467   3.780
   81   2HG2  THR  11          HG22      THR  11 -17.389   8.954   4.503
   82   3HG2  THR  11          HG23      THR  11 -18.975   8.970   3.716
   83    H    LEU  12          H         LEU  12 -16.662   8.144  -0.359
   84    HA   LEU  12          HA        LEU  12 -14.435   8.198  -1.790
   85   1HB   LEU  12          HB2       LEU  12 -16.675   8.089  -2.695
   86   2HB   LEU  12          HB3       LEU  12 -16.905   9.818  -2.516
   87    HG   LEU  12          HG        LEU  12 -14.466   8.909  -4.039
   88   1HD1  LEU  12          HD13      LEU  12 -17.288   8.736  -5.178
   89   2HD1  LEU  12          HD11      LEU  12 -15.781   8.578  -6.107
   90   3HD1  LEU  12          HD12      LEU  12 -16.189   7.369  -4.880
   91   1HD2  LEU  12          HD21      LEU  12 -16.539  11.098  -4.540
   92   2HD2  LEU  12          HD22      LEU  12 -14.936  11.344  -3.819
   93   3HD2  LEU  12          HD23      LEU  12 -15.072  10.820  -5.497
   94    HA   PRO  13          HA        PRO  13 -13.749  12.931  -2.028
   95   1HB   PRO  13          HB2       PRO  13 -14.496  14.423   0.250
   96   2HB   PRO  13          HB3       PRO  13 -15.370  14.346  -1.303
   97   1HG   PRO  13          HG2       PRO  13 -15.861  12.688   1.182
   98   2HG   PRO  13          HG3       PRO  13 -17.069  13.537   0.173
   99   1HD   PRO  13          HD2       PRO  13 -16.700  10.930  -0.153
  100   2HD   PRO  13          HD3       PRO  13 -16.771  11.956  -1.604
  101    H    GLN  14          H         GLN  14 -13.568  11.147   1.101
  102    HA   GLN  14          HA        GLN  14 -11.155  12.555   1.916
  103   1HB   GLN  14          HB2       GLN  14 -12.282   9.936   2.860
  104   2HB   GLN  14          HB3       GLN  14 -10.825  10.752   3.477
  105   1HG   GLN  14          HG2       GLN  14 -12.514  11.376   5.010
  106   2HG   GLN  14          HG3       GLN  14 -12.105  12.787   4.041
  107   1HE2  GLN  14          HE21      GLN  14 -15.544  13.282   3.381
  108   2HE2  GLN  14          HE22      GLN  14 -13.979  13.981   3.740
  109    H    VAL  15          H         VAL  15 -11.880   9.859  -0.266
  110    HA   VAL  15          HA        VAL  15  -9.236   8.699  -0.286
  111    HB   VAL  15          HB        VAL  15 -11.230   8.891  -2.587
  112   1HG1  VAL  15          HG13      VAL  15  -8.806   7.135  -2.122
  113   2HG1  VAL  15          HG11      VAL  15 -10.065   6.819  -3.344
  114   3HG1  VAL  15          HG12      VAL  15  -9.092   8.288  -3.436
  115   1HG2  VAL  15          HG21      VAL  15 -10.909   6.728  -0.466
  116   2HG2  VAL  15          HG22      VAL  15 -12.293   7.823  -0.617
  117   3HG2  VAL  15          HG23      VAL  15 -11.955   6.668  -1.907
  118    H    LYS  16          H         LYS  16 -10.847  11.222  -2.212
  119    HA   LYS  16          HA        LYS  16  -8.614  11.960  -3.821
  120   1HB   LYS  16          HB2       LYS  16 -10.962  13.674  -2.895
  121   2HB   LYS  16          HB3       LYS  16  -9.820  14.050  -4.194
  122   1HG   LYS  16          HG2       LYS  16 -10.557  12.034  -5.444
  123   2HG   LYS  16          HG3       LYS  16 -11.666  11.612  -4.142
  124   1HD   LYS  16          HD2       LYS  16 -12.880  12.677  -5.962
  125   2HD   LYS  16          HD3       LYS  16 -12.982  13.630  -4.479
  126   1HE   LYS  16          HE2       LYS  16 -12.663  15.031  -6.502
  127   2HE   LYS  16          HE3       LYS  16 -11.359  15.252  -5.335
  128   1HZ   LYS  16          HZ1       LYS  16 -11.245  13.551  -7.732
  129   2HZ   LYS  16          HZ2       LYS  16 -10.549  15.035  -7.565
  130   3HZ   LYS  16          HZ3       LYS  16 -10.018  13.772  -6.652
  131    H    ALA  17          H         ALA  17  -9.875  13.366  -0.753
  132    HA   ALA  17          HA        ALA  17  -7.908  15.273  -0.299
  133   1HB   ALA  17          HB1       ALA  17  -9.937  14.912   1.101
  134   2HB   ALA  17          HB2       ALA  17  -9.150  13.499   1.849
  135   3HB   ALA  17          HB3       ALA  17  -8.451  15.114   2.052
  136    H    MET  18          H         MET  18  -7.766  11.829   0.808
  137    HA   MET  18          HA        MET  18  -5.193  12.027   1.960
  138   1HB   MET  18          HB2       MET  18  -6.789   9.693   0.915
  139   2HB   MET  18          HB3       MET  18  -5.152   9.493   1.566
  140   1HG   MET  18          HG2       MET  18  -5.758  10.563   3.661
  141   2HG   MET  18          HG3       MET  18  -7.410  10.836   3.105
  142   1HE   MET  18          HE3       MET  18  -8.361   8.300   1.808
  143   2HE   MET  18          HE1       MET  18  -8.964   7.312   3.164
  144   3HE   MET  18          HE2       MET  18  -9.263   9.067   3.127
  145    H    LEU  19          H         LEU  19  -6.123  10.879  -1.340
  146    HA   LEU  19          HA        LEU  19  -3.514  10.383  -2.295
  147   1HB   LEU  19          HB2       LEU  19  -6.003  11.387  -3.717
  148   2HB   LEU  19          HB3       LEU  19  -4.529  10.941  -4.577
  149    HG   LEU  19          HG        LEU  19  -5.963   8.988  -2.727
  150   1HD1  LEU  19          HD13      LEU  19  -7.505   9.724  -4.521
  151   2HD1  LEU  19          HD11      LEU  19  -6.271   9.361  -5.742
  152   3HD1  LEU  19          HD12      LEU  19  -6.980   8.050  -4.777
  153   1HD2  LEU  19          HD21      LEU  19  -3.584   8.432  -3.316
  154   2HD2  LEU  19          HD22      LEU  19  -4.732   7.307  -4.051
  155   3HD2  LEU  19          HD23      LEU  19  -4.005   8.595  -5.028
  156    H    GLU  20          H         GLU  20  -5.321  13.474  -2.373
  157    HA   GLU  20          HA        GLU  20  -3.349  15.015  -3.697
  158   1HB   GLU  20          HB2       GLU  20  -5.368  15.784  -1.557
  159   2HB   GLU  20          HB3       GLU  20  -4.415  16.946  -2.489
  160   1HG   GLU  20          HG2       GLU  20  -5.474  16.386  -4.540
  161   2HG   GLU  20          HG3       GLU  20  -6.178  14.903  -3.897
  162    HE1  GLU  20          HE        GLU  20  -7.841  18.270  -2.473
  163    H    LYS  21          H         LYS  21  -3.413  13.834  -0.342
  164    HA   LYS  21          HA        LYS  21  -1.151  15.632   0.416
  165   1HB   LYS  21          HB2       LYS  21  -3.203  14.009   1.910
  166   2HB   LYS  21          HB3       LYS  21  -1.638  14.283   2.655
  167   1HG   LYS  21          HG2       LYS  21  -3.146  15.896   3.448
  168   2HG   LYS  21          HG3       LYS  21  -1.869  16.694   2.540
  169   1HD   LYS  21          HD2       LYS  21  -4.413  16.049   1.065
  170   2HD   LYS  21          HD3       LYS  21  -4.517  17.270   2.333
  171   1HE   LYS  21          HE2       LYS  21  -2.721  18.591   1.276
  172   2HE   LYS  21          HE3       LYS  21  -2.588  17.400  -0.024
  173   1HZ   LYS  21          HZ2       LYS  21  -4.882  17.860  -0.572
  174   2HZ   LYS  21          HZ3       LYS  21  -4.958  19.005   0.609
  175   3HZ   LYS  21          HZ1       LYS  21  -3.946  19.211  -0.674
  176    H    ASP  22          H         ASP  22  -1.189  12.924  -1.427
  177    HA   ASP  22          HA        ASP  22   0.685  11.306   0.088
  178   1HB   ASP  22          HB2       ASP  22  -0.605  10.355  -1.810
  179   2HB   ASP  22          HB3       ASP  22   0.259  11.430  -2.918
  180    HD1  ASP  22          HD        ASP  22   1.349   9.152  -0.303
  181    H    THR  23          H         THR  23   2.652  12.210   0.746
  182    HA   THR  23          HA        THR  23   3.858  14.376  -0.710
  183    HB   THR  23          HB        THR  23   5.587  13.974   1.204
  184    HG1  THR  23          HG1       THR  23   4.789  12.667   2.838
  185   1HG2  THR  23          HG21      THR  23   3.797  15.685   1.285
  186   2HG2  THR  23          HG22      THR  23   2.659  14.470   1.901
  187   3HG2  THR  23          HG23      THR  23   4.071  14.938   2.868
  188    H    GLY  24          H         GLY  24   3.714  12.101  -2.455
  189   1HA   GLY  24          HA2       GLY  24   6.536  11.060  -2.690
  190   2HA   GLY  24          HA3       GLY  24   5.048  10.297  -3.241
  191    H    LYS  25          H         LYS  25   7.611  12.366  -4.084
  192    HA   LYS  25          HA        LYS  25   6.298  13.773  -6.295
  193   1HB   LYS  25          HB2       LYS  25   9.247  13.443  -5.589
  194   2HB   LYS  25          HB3       LYS  25   8.557  14.620  -6.716
  195   1HG   LYS  25          HG2       LYS  25   7.324  15.684  -4.836
  196   2HG   LYS  25          HG3       LYS  25   8.040  14.520  -3.701
  197   1HD   LYS  25          HD2       LYS  25  10.315  15.265  -4.332
  198   2HD   LYS  25          HD3       LYS  25   9.625  16.496  -5.403
  199   1HE   LYS  25          HE2       LYS  25   9.185  16.291  -2.381
  200   2HE   LYS  25          HE3       LYS  25  10.310  17.397  -3.179
  201   1HZ   LYS  25          HZ3       LYS  25   8.446  18.403  -4.291
  202   2HZ   LYS  25          HZ1       LYS  25   7.395  17.394  -3.522
  203   3HZ   LYS  25          HZ2       LYS  25   8.273  18.484  -2.655
  204    H    VAL  26          H         VAL  26   6.816  13.319  -8.544
  205    HA   VAL  26          HA        VAL  26   6.984  10.496  -9.136
  206    HB   VAL  26          HB        VAL  26   6.967  13.006 -10.852
  207   1HG1  VAL  26          HG13      VAL  26   6.927  10.091 -11.704
  208   2HG1  VAL  26          HG11      VAL  26   6.379  11.427 -12.743
  209   3HG1  VAL  26          HG12      VAL  26   8.062  11.356 -12.220
  210   1HG2  VAL  26          HG21      VAL  26   4.850  10.904 -10.242
  211   2HG2  VAL  26          HG22      VAL  26   4.869  12.566  -9.619
  212   3HG2  VAL  26          HG23      VAL  26   4.653  12.281 -11.351
  213    H    SER  27          H         SER  27   8.679   9.294 -10.017
  214    HA   SER  27          HA        SER  27  11.147  10.627 -10.926
  215   1HB   SER  27          HB2       SER  27  11.111   8.513  -8.735
  216   2HB   SER  27          HB3       SER  27  12.548   9.214  -9.500
  217    HG   SER  27          HG        SER  27  11.082  11.247  -8.684
  218    H    GLY  28          H         GLY  28   9.777   9.854 -12.826
  219   1HA   GLY  28          HA2       GLY  28   9.619   8.459 -14.637
  220   2HA   GLY  28          HA3       GLY  28  10.954   7.499 -13.976
  221    H    ASP  29          H         ASP  29  10.425   5.471 -13.199
  222    HA   ASP  29          HA        ASP  29   7.600   4.608 -13.044
  223   1HB   ASP  29          HB2       ASP  29   8.526   2.423 -12.570
  224   2HB   ASP  29          HB3       ASP  29   9.424   3.107 -13.938
  225    HD2  ASP  29          HD        ASP  29  11.062   2.881 -10.297
  226    H    THR  30          H         THR  30  10.177   5.762 -10.970
  227    HA   THR  30          HA        THR  30   9.135   4.499  -8.553
  228    HB   THR  30          HB        THR  30  11.564   6.244  -9.169
  229    HG1  THR  30          HG1       THR  30  12.677   4.412  -9.377
  230   1HG2  THR  30          HG21      THR  30  11.114   6.265  -6.739
  231   2HG2  THR  30          HG22      THR  30  11.292   4.493  -6.739
  232   3HG2  THR  30          HG23      THR  30  12.634   5.512  -7.249
  233    H    VAL  31          H         VAL  31   8.667   5.788  -6.662
  234    HA   VAL  31          HA        VAL  31   7.928   8.622  -7.153
  235    HB   VAL  31          HB        VAL  31   6.332   6.494  -5.683
  236   1HG1  VAL  31          HG11      VAL  31   6.529   8.533  -4.226
  237   2HG1  VAL  31          HG12      VAL  31   5.961   9.512  -5.593
  238   3HG1  VAL  31          HG13      VAL  31   4.888   8.309  -4.848
  239   1HG2  VAL  31          HG23      VAL  31   5.581   8.537  -7.838
  240   2HG2  VAL  31          HG21      VAL  31   5.794   6.789  -8.062
  241   3HG2  VAL  31          HG22      VAL  31   4.459   7.405  -7.066
  242    H    THR  32          H         THR  32   8.769   9.967  -5.561
  243    HA   THR  32          HA        THR  32  10.604   8.696  -3.590
  244    HB   THR  32          HB        THR  32  11.096  11.097  -5.398
  245    HG1  THR  32          HG1       THR  32  11.779   9.654  -6.695
  246   1HG2  THR  32          HG21      THR  32  12.893   9.744  -3.331
  247   2HG2  THR  32          HG22      THR  32  13.423  10.956  -4.515
  248   3HG2  THR  32          HG23      THR  32  12.253  11.396  -3.262
  249    H    TYR  33          H         TYR  33  10.131   9.299  -1.586
  250    HA   TYR  33          HA        TYR  33   8.303  11.592  -1.203
  251   1HB   TYR  33          HB2       TYR  33   9.222   9.393   0.672
  252   2HB   TYR  33          HB3       TYR  33   8.173  10.748   1.114
  253    HD1  TYR  33          HD1       TYR  33   8.349   7.863  -1.317
  254    HD2  TYR  33          HD2       TYR  33   5.853  10.625   0.860
  255    HE1  TYR  33          HE1       TYR  33   6.328   6.901  -2.374
  256    HE2  TYR  33          HE2       TYR  33   3.850   9.606  -0.139
  257    HH   TYR  33          HH        TYR  33   3.041   8.069  -1.704
  258    H    SER  34          H         SER  34   8.796  12.940   0.875
  259    HA   SER  34          HA        SER  34  11.647  13.508   1.235
  260   1HB   SER  34          HB2       SER  34   9.742  15.547  -0.001
  261   2HB   SER  34          HB3       SER  34  11.414  15.853   0.502
  262    HG   SER  34          HG        SER  34  11.489  13.739  -1.079
  263    H    GLY  35          H         GLY  35  11.998  14.822   3.075
  264   1HA   GLY  35          HA2       GLY  35  11.516  15.674   5.161
  265   2HA   GLY  35          HA3       GLY  35   9.798  15.793   4.728
  266    H    LYS  36          H         LYS  36  10.111  14.917   7.211
  267    HA   LYS  36          HA        LYS  36  10.498  12.030   7.326
  268   1HB   LYS  36          HB2       LYS  36   9.587  14.032   9.424
  269   2HB   LYS  36          HB3       LYS  36   9.737  12.286   9.680
  270   1HG   LYS  36          HG2       LYS  36  12.138  12.470   8.819
  271   2HG   LYS  36          HG3       LYS  36  11.975  14.226   8.972
  272   1HD   LYS  36          HD2       LYS  36  11.487  13.998  11.374
  273   2HD   LYS  36          HD3       LYS  36  11.480  12.232  11.248
  274   1HE   LYS  36          HE2       LYS  36  13.908  14.011  10.743
  275   2HE   LYS  36          HE3       LYS  36  13.588  13.070  12.210
  276   1HZ   LYS  36          HZ1       LYS  36  13.601  11.075  10.821
  277   2HZ   LYS  36          HZ2       LYS  36  14.046  11.985   9.524
  278   3HZ   LYS  36          HZ3       LYS  36  15.044  11.876  10.827
  279    H    THR  37          H         THR  37   7.704  14.150   6.844
  280    HA   THR  37          HA        THR  37   5.789  12.167   7.653
  281    HB   THR  37          HB        THR  37   5.321  14.616   5.907
  282    HG1  THR  37          HG1       THR  37   5.628  14.470   8.720
  283   1HG2  THR  37          HG21      THR  37   3.650  13.223   8.061
  284   2HG2  THR  37          HG22      THR  37   3.183  14.676   7.150
  285   3HG2  THR  37          HG23      THR  37   3.370  13.124   6.311
  286    H    VAL  38          H         VAL  38   6.737  10.374   6.354
  287    HA   VAL  38          HA        VAL  38   6.385  10.473   3.417
  288    HB   VAL  38          HB        VAL  38   7.511   8.417   5.321
  289   1HG1  VAL  38          HG11      VAL  38   7.096   8.276   2.305
  290   2HG1  VAL  38          HG12      VAL  38   8.286   7.295   3.176
  291   3HG1  VAL  38          HG13      VAL  38   6.569   7.106   3.527
  292   1HG2  VAL  38          HG22      VAL  38   8.821  10.511   4.820
  293   2HG2  VAL  38          HG23      VAL  38   9.591   9.017   4.247
  294   3HG2  VAL  38          HG21      VAL  38   8.767  10.089   3.113
  295    H    HIS  39          H         HIS  39   4.204  10.932   3.320
  296    HA   HIS  39          HA        HIS  39   2.251   9.125   4.562
  297   1HB   HIS  39          HB2       HIS  39   2.006  11.586   4.593
  298   2HB   HIS  39          HB3       HIS  39   1.928  11.608   2.830
  299    HD1  HIS  39          HD1       HIS  39  -0.524  12.061   2.245
  300    HD2  HIS  39          HD2       HIS  39   0.009   9.412   5.477
  301    HE1  HIS  39          HE1       HIS  39  -2.874  11.240   2.916
  302    HE2  HIS  39          HE2       HIS  39  -2.512   9.605   4.880
  303    H    VAL  40          H         VAL  40   2.616   7.161   3.437
  304    HA   VAL  40          HA        VAL  40   2.599   7.081   0.492
  305    HB   VAL  40          HB        VAL  40   2.736   4.910   2.617
  306   1HG1  VAL  40          HG12      VAL  40   3.047   4.707  -0.412
  307   2HG1  VAL  40          HG13      VAL  40   3.406   3.416   0.756
  308   3HG1  VAL  40          HG11      VAL  40   1.746   3.976   0.553
  309   1HG2  VAL  40          HG23      VAL  40   4.727   6.362   2.517
  310   2HG2  VAL  40          HG21      VAL  40   5.091   4.736   1.922
  311   3HG2  VAL  40          HG22      VAL  40   4.869   6.069   0.771
  312    H    VAL  41          H         VAL  41   0.628   7.297  -0.527
  313    HA   VAL  41          HA        VAL  41  -1.813   6.359   0.886
  314    HB   VAL  41          HB        VAL  41  -1.600   8.246  -1.456
  315   1HG1  VAL  41          HG12      VAL  41  -3.866   7.484   0.454
  316   2HG1  VAL  41          HG13      VAL  41  -3.942   8.785  -0.738
  317   3HG1  VAL  41          HG11      VAL  41  -3.795   7.101  -1.279
  318   1HG2  VAL  41          HG22      VAL  41  -0.566   9.207   0.629
  319   2HG2  VAL  41          HG23      VAL  41  -2.086   9.986   0.234
  320   3HG2  VAL  41          HG21      VAL  41  -2.028   8.776   1.528
  321    H    ALA  42          H         ALA  42  -2.006   4.236   0.477
  322    HA   ALA  42          HA        ALA  42  -1.482   3.148  -2.243
  323   1HB   ALA  42          HB1       ALA  42  -1.781   1.849   0.479
  324   2HB   ALA  42          HB2       ALA  42  -1.587   0.959  -1.051
  325   3HB   ALA  42          HB3       ALA  42  -0.305   2.044  -0.477
  326    H    ALA  43          H         ALA  43  -3.230   3.444  -3.503
  327    HA   ALA  43          HA        ALA  43  -5.981   3.014  -2.493
  328   1HB   ALA  43          HB3       ALA  43  -4.858   4.109  -5.098
  329   2HB   ALA  43          HB1       ALA  43  -6.580   3.949  -4.725
  330   3HB   ALA  43          HB2       ALA  43  -5.568   5.034  -3.762
  331    H    ALA  44          H         ALA  44  -6.405   0.773  -2.428
  332    HA   ALA  44          HA        ALA  44  -5.040  -0.967  -4.428
  333   1HB   ALA  44          HB1       ALA  44  -4.989  -1.515  -1.982
  334   2HB   ALA  44          HB2       ALA  44  -6.736  -1.826  -2.107
  335   3HB   ALA  44          HB3       ALA  44  -5.605  -2.801  -3.048
  336    H    VAL  45          H         VAL  45  -6.075  -1.216  -6.326
  337    HA   VAL  45          HA        VAL  45  -7.733  -1.290  -7.869
  338    HB   VAL  45          HB        VAL  45  -8.660  -3.553  -6.073
  339   1HG1  VAL  45          HG12      VAL  45 -10.023  -3.008  -8.181
  340   2HG1  VAL  45          HG13      VAL  45  -8.540  -3.219  -9.102
  341   3HG1  VAL  45          HG11      VAL  45  -9.253  -4.597  -8.209
  342   1HG2  VAL  45          HG23      VAL  45  -6.365  -3.526  -8.053
  343   2HG2  VAL  45          HG21      VAL  45  -6.223  -3.739  -6.291
  344   3HG2  VAL  45          HG22      VAL  45  -7.039  -4.968  -7.271
  345    H    LEU  46          H         LEU  46  -8.692   0.820  -7.277
  346    HA   LEU  46          HA        LEU  46 -11.067   0.805  -5.601
  347   1HB   LEU  46          HB2       LEU  46  -9.635   2.819  -7.344
  348   2HB   LEU  46          HB3       LEU  46 -11.271   3.173  -6.797
  349    HG   LEU  46          HG        LEU  46 -10.654   3.004  -4.490
  350   1HD1  LEU  46          HD12      LEU  46  -7.895   2.144  -5.425
  351   2HD1  LEU  46          HD13      LEU  46  -8.285   2.688  -3.772
  352   3HD1  LEU  46          HD11      LEU  46  -9.042   1.239  -4.408
  353   1HD2  LEU  46          HD21      LEU  46 -10.265   5.152  -5.625
  354   2HD2  LEU  46          HD22      LEU  46  -9.054   4.892  -4.354
  355   3HD2  LEU  46          HD23      LEU  46  -8.617   4.647  -6.058
  356    HA   PRO  47          HA        PRO  47 -14.294  -0.606  -8.059
  357   1HB   PRO  47          HB2       PRO  47 -15.457   2.196  -8.037
  358   2HB   PRO  47          HB3       PRO  47 -16.326   0.638  -7.893
  359   1HG   PRO  47          HG2       PRO  47 -15.670   1.978  -5.636
  360   2HG   PRO  47          HG3       PRO  47 -15.327   0.224  -5.729
  361   1HD   PRO  47          HD2       PRO  47 -13.401   2.509  -6.061
  362   2HD   PRO  47          HD3       PRO  47 -13.200   0.943  -5.222
  363    H    GLY  48          H         GLY  48 -13.290   2.587  -9.408
  364   1HA   GLY  48          HA2       GLY  48 -14.279   2.214 -12.024
  365   2HA   GLY  48          HA3       GLY  48 -12.931   3.262 -11.561
  366    H    PHE  49          H         PHE  49 -11.551   0.669 -10.499
  367    HA   PHE  49          HA        PHE  49 -10.265  -0.043 -13.093
  368   1HB   PHE  49          HB2       PHE  49  -9.127  -0.083 -10.290
  369   2HB   PHE  49          HB3       PHE  49  -8.271  -0.377 -11.796
  370    HD1  PHE  49          HD1       PHE  49  -7.955   1.562 -13.434
  371    HD2  PHE  49          HD2       PHE  49  -9.676   2.137  -9.533
  372    HE1  PHE  49          HE1       PHE  49  -7.456   3.993 -13.568
  373    HE2  PHE  49          HE2       PHE  49  -9.157   4.564  -9.656
  374    HZ   PHE  49          HZ        PHE  49  -8.021   5.487 -11.667
  375    HA   PRO  50          HA        PRO  50 -12.207  -3.927 -11.501
  376   1HB   PRO  50          HB2       PRO  50 -12.657  -5.224 -13.847
  377   2HB   PRO  50          HB3       PRO  50 -13.660  -3.855 -13.295
  378   1HG   PRO  50          HG2       PRO  50 -11.325  -3.746 -15.223
  379   2HG   PRO  50          HG3       PRO  50 -12.968  -3.078 -15.458
  380   1HD   PRO  50          HD2       PRO  50 -10.905  -1.546 -14.574
  381   2HD   PRO  50          HD3       PRO  50 -12.556  -1.313 -13.925
  382    H    PHE  51          H         PHE  51  -9.948  -3.948 -10.639
  383    HA   PHE  51          HA        PHE  51  -8.153  -5.181 -10.053
  384   1HB   PHE  51          HB2       PHE  51  -9.440  -7.164 -11.895
  385   2HB   PHE  51          HB3       PHE  51  -7.755  -7.386 -11.573
  386    HD1  PHE  51          HD1       PHE  51 -10.921  -6.558  -9.698
  387    HD2  PHE  51          HD2       PHE  51  -7.183  -8.716  -9.693
  388    HE1  PHE  51          HE1       PHE  51 -11.474  -7.539  -7.482
  389    HE2  PHE  51          HE2       PHE  51  -7.745  -9.683  -7.497
  390    HZ   PHE  51          HZ        PHE  51  -9.893  -9.081  -6.378
  391    HA   PRO  52          HA        PRO  52  -6.402  -6.472  -9.904
  392   1HB   PRO  52          HB2       PRO  52  -4.113  -7.658 -10.460
  393   2HB   PRO  52          HB3       PRO  52  -5.448  -7.871 -11.626
  394   1HG   PRO  52          HG2       PRO  52  -3.119  -5.931 -11.802
  395   2HG   PRO  52          HG3       PRO  52  -3.739  -7.022 -13.071
  396   1HD   PRO  52          HD2       PRO  52  -4.487  -4.314 -12.760
  397   2HD   PRO  52          HD3       PRO  52  -5.442  -5.546 -13.617
  398    H    SER  53          H         SER  53  -4.426  -3.655 -10.701
  399    HA   SER  53          HA        SER  53  -2.470  -4.316  -8.744
  400   1HB   SER  53          HB2       SER  53  -1.621  -1.991  -9.763
  401   2HB   SER  53          HB3       SER  53  -1.584  -3.500 -10.693
  402    HG   SER  53          HG        SER  53  -2.571  -1.811 -11.875
  403    H    PHE  54          H         PHE  54  -1.434  -3.059  -7.288
  404    HA   PHE  54          HA        PHE  54  -3.049  -1.423  -5.474
  405   1HB   PHE  54          HB2       PHE  54  -0.044  -2.002  -5.704
  406   2HB   PHE  54          HB3       PHE  54  -0.725  -0.905  -4.525
  407    HD1  PHE  54          HD1       PHE  54  -2.912  -2.027  -3.223
  408    HD2  PHE  54          HD2       PHE  54   0.745  -3.920  -4.521
  409    HE1  PHE  54          HE1       PHE  54  -3.143  -3.725  -1.426
  410    HE2  PHE  54          HE2       PHE  54   0.544  -5.550  -2.683
  411    HZ   PHE  54          HZ        PHE  54  -1.377  -5.445  -1.111
  412    H    GLU  55          H         GLU  55  -3.371   0.725  -5.904
  413    HA   GLU  55          HA        GLU  55  -1.796   1.947  -8.080
  414   1HB   GLU  55          HB2       GLU  55  -4.408   3.073  -7.231
  415   2HB   GLU  55          HB3       GLU  55  -3.584   2.892  -8.810
  416   1HG   GLU  55          HG2       GLU  55  -4.203   0.546  -8.967
  417   2HG   GLU  55          HG3       GLU  55  -4.969   0.589  -7.382
  418    HE1  GLU  55          HE        GLU  55  -6.832   2.523 -10.367
  419    H    VAL  56          H         VAL  56  -0.692   3.880  -7.650
  420    HA   VAL  56          HA        VAL  56  -0.868   5.000  -4.876
  421    HB   VAL  56          HB        VAL  56   1.654   4.188  -6.314
  422   1HG1  VAL  56          HG12      VAL  56   1.210   5.398  -3.539
  423   2HG1  VAL  56          HG13      VAL  56   2.761   4.785  -4.145
  424   3HG1  VAL  56          HG11      VAL  56   2.023   6.193  -4.903
  425   1HG2  VAL  56          HG22      VAL  56   0.246   2.989  -3.893
  426   2HG2  VAL  56          HG23      VAL  56   0.573   2.184  -5.444
  427   3HG2  VAL  56          HG21      VAL  56   1.907   2.598  -4.362
  428    H    HIS  57          H         HIS  57  -2.086   6.532  -5.832
  429    HA   HIS  57          HA        HIS  57  -2.734   8.340  -6.861
  430   1HB   HIS  57          HB2       HIS  57  -1.940  10.232  -5.940
  431   2HB   HIS  57          HB3       HIS  57  -1.319   9.015  -4.829
  432    HD1  HIS  57          HD1       HIS  57  -0.293  11.993  -6.668
  433    HD2  HIS  57          HD2       HIS  57   1.480   8.489  -5.132
  434    HE1  HIS  57          HE1       HIS  57   2.201  12.501  -6.378
  435    HE2  HIS  57          HE2       HIS  57   3.269  10.405  -5.439
  436    H    ASP  58          H         ASP  58   0.700   8.400  -7.839
  437    HA   ASP  58          HA        ASP  58  -0.153   9.555 -10.456
  438   1HB   ASP  58          HB2       ASP  58   1.609  10.666  -8.974
  439   2HB   ASP  58          HB3       ASP  58   2.701   9.368  -9.466
  440    HD1  ASP  58          HD        ASP  58   2.143   9.178 -12.221
  441    H    LYS  59          H         LYS  59   1.045   6.630  -8.968
  442    HA   LYS  59          HA        LYS  59   1.567   5.385 -11.641
  443   1HB   LYS  59          HB2       LYS  59   3.116   4.905  -9.084
  444   2HB   LYS  59          HB3       LYS  59   3.510   4.254 -10.686
  445   1HG   LYS  59          HG2       LYS  59   3.761   7.141  -9.778
  446   2HG   LYS  59          HG3       LYS  59   5.070   5.975  -9.998
  447   1HD   LYS  59          HD2       LYS  59   4.770   5.860 -12.366
  448   2HD   LYS  59          HD3       LYS  59   3.305   6.857 -12.306
  449   1HE   LYS  59          HE2       LYS  59   4.644   8.720 -11.300
  450   2HE   LYS  59          HE3       LYS  59   6.099   7.725 -11.442
  451   1HZ   LYS  59          HZ3       LYS  59   4.383   8.491 -13.718
  452   2HZ   LYS  59          HZ1       LYS  59   5.741   9.308 -13.268
  453   3HZ   LYS  59          HZ2       LYS  59   5.869   7.750 -13.769
  454    H    LYS  60          H         LYS  60   1.997   2.864 -10.905
  455    HA   LYS  60          HA        LYS  60   0.171   2.000  -8.802
  456   1HB   LYS  60          HB2       LYS  60   0.069   0.787 -11.596
  457   2HB   LYS  60          HB3       LYS  60  -0.936   0.369 -10.198
  458   1HG   LYS  60          HG2       LYS  60  -1.836   2.779 -10.324
  459   2HG   LYS  60          HG3       LYS  60  -1.010   2.909 -11.884
  460   1HD   LYS  60          HD2       LYS  60  -2.295   0.929 -12.709
  461   2HD   LYS  60          HD3       LYS  60  -3.142   0.852 -11.149
  462   1HE   LYS  60          HE2       LYS  60  -3.947   3.217 -11.534
  463   2HE   LYS  60          HE3       LYS  60  -3.205   3.163 -13.146
  464   1HZ   LYS  60          HZ2       LYS  60  -4.638   1.273 -13.618
  465   2HZ   LYS  60          HZ3       LYS  60  -5.337   1.425 -12.127
  466   3HZ   LYS  60          HZ1       LYS  60  -5.502   2.626 -13.238
  467    H    ASN  61          H         ASN  61   1.026   0.294  -7.759
  468    HA   ASN  61          HA        ASN  61   2.815  -0.871  -6.897
  469   1HB   ASN  61          HB2       ASN  61   2.946  -1.719  -9.828
  470   2HB   ASN  61          HB3       ASN  61   3.886  -2.468  -8.563
  471   1HD2  ASN  61          HD22      ASN  61  -0.052  -3.325  -8.434
  472   2HD2  ASN  61          HD21      ASN  61   0.237  -1.553  -8.432
  473    HA   PRO  62          HA        PRO  62   6.037   1.899  -9.040
  474   1HB   PRO  62          HB2       PRO  62   6.301   4.108  -7.461
  475   2HB   PRO  62          HB3       PRO  62   5.079   3.972  -8.745
  476   1HG   PRO  62          HG2       PRO  62   4.732   3.358  -5.777
  477   2HG   PRO  62          HG3       PRO  62   3.755   4.473  -6.769
  478   1HD   PRO  62          HD2       PRO  62   2.975   1.869  -6.328
  479   2HD   PRO  62          HD3       PRO  62   2.759   2.649  -7.921
  480    H    THR  63          H         THR  63   8.112   2.344  -8.311
  481    HA   THR  63          HA        THR  63   9.111   0.819  -6.029
  482    HB   THR  63          HB        THR  63  10.409   2.762  -7.987
  483    HG1  THR  63          HG1       THR  63  10.093   1.283  -9.419
  484   1HG2  THR  63          HG22      THR  63  11.787   2.162  -5.985
  485   2HG2  THR  63          HG23      THR  63  11.611   0.451  -6.490
  486   3HG2  THR  63          HG21      THR  63  12.469   1.628  -7.535
  487    H    LEU  64          H         LEU  64   9.291   1.813  -3.954
  488    HA   LEU  64          HA        LEU  64   8.713   4.733  -3.737
  489   1HB   LEU  64          HB2       LEU  64   8.553   2.354  -1.903
  490   2HB   LEU  64          HB3       LEU  64   8.792   3.958  -1.220
  491    HG   LEU  64          HG        LEU  64   6.776   4.792  -2.112
  492   1HD1  LEU  64          HD12      LEU  64   6.501   2.166  -3.602
  493   2HD1  LEU  64          HD13      LEU  64   5.170   3.320  -3.382
  494   3HD1  LEU  64          HD11      LEU  64   6.606   3.793  -4.302
  495   1HD2  LEU  64          HD23      LEU  64   6.649   3.466  -0.029
  496   2HD2  LEU  64          HD21      LEU  64   5.148   3.349  -0.965
  497   3HD2  LEU  64          HD22      LEU  64   6.304   2.003  -0.979
  498    H    GLU  65          H         GLU  65  10.338   6.151  -3.402
  499    HA   GLU  65          HA        GLU  65  12.915   5.178  -2.188
  500   1HB   GLU  65          HB2       GLU  65  12.333   7.446  -4.095
  501   2HB   GLU  65          HB3       GLU  65  13.782   7.426  -3.069
  502   1HG   GLU  65          HG2       GLU  65  14.405   5.208  -3.975
  503   2HG   GLU  65          HG3       GLU  65  13.000   5.231  -5.031
  504    HE1  GLU  65          HE        GLU  65  13.202   7.976  -5.888
  505    H    ILE  66          H         ILE  66  13.095   5.608  -0.124
  506    HA   ILE  66          HA        ILE  66  11.445   7.767   1.095
  507    HB   ILE  66          HB        ILE  66  12.218   4.981   1.905
  508   1HG1  ILE  66          HG12      ILE  66   9.582   6.407   1.337
  509   2HG1  ILE  66          HG13      ILE  66  10.346   5.113   0.407
  510   1HG2  ILE  66          HG21      ILE  66  10.884   7.114   3.638
  511   2HG2  ILE  66          HG22      ILE  66  11.040   5.400   4.071
  512   3HG2  ILE  66          HG23      ILE  66  12.480   6.386   3.928
  513   1HD1  ILE  66          HD13      ILE  66  10.106   3.639   2.474
  514   2HD1  ILE  66          HD11      ILE  66   9.024   4.897   3.110
  515   3HD1  ILE  66          HD12      ILE  66   8.615   4.074   1.604
  516    HA   PRO  67          HA        PRO  67  15.364   9.308   2.760
  517   1HB   PRO  67          HB2       PRO  67  13.535  10.748   4.658
  518   2HB   PRO  67          HB3       PRO  67  14.894  11.385   3.704
  519   1HG   PRO  67          HG2       PRO  67  12.307  11.840   2.969
  520   2HG   PRO  67          HG3       PRO  67  13.555  11.478   1.735
  521   1HD   PRO  67          HD2       PRO  67  11.517   9.593   2.934
  522   2HD   PRO  67          HD3       PRO  67  12.021   9.823   1.228
  523    H    ALA  68          H         ALA  68  16.346   7.716   3.956
  524    HA   ALA  68          HA        ALA  68  15.330   6.075   5.949
  525   1HB   ALA  68          HB1       ALA  68  17.575   5.789   4.938
  526   2HB   ALA  68          HB2       ALA  68  18.146   7.240   5.792
  527   3HB   ALA  68          HB3       ALA  68  17.671   5.794   6.709
  528    H    GLY  69          H         GLY  69  14.764   6.223   8.040
  529   1HA   GLY  69          HA2       GLY  69  14.675   7.096  10.196
  530   2HA   GLY  69          HA3       GLY  69  15.541   8.550   9.695
  531    H    ALA  70          H         ALA  70  13.209   8.221   7.301
  532    HA   ALA  70          HA        ALA  70  11.466  10.179   8.481
  533   1HB   ALA  70          HB3       ALA  70  11.136   8.427   6.015
  534   2HB   ALA  70          HB1       ALA  70  10.123   9.813   6.454
  535   3HB   ALA  70          HB2       ALA  70  11.825  10.073   6.062
  536    H    THR  71          H         THR  71   9.083   9.863   8.498
  537    HA   THR  71          HA        THR  71   8.313   7.421  10.007
  538    HB   THR  71          HB        THR  71   7.014  10.181   9.848
  539    HG1  THR  71          HG1       THR  71   9.081  10.054  10.923
  540   1HG2  THR  71          HG21      THR  71   6.490   7.720  11.561
  541   2HG2  THR  71          HG22      THR  71   5.797   9.329  11.880
  542   3HG2  THR  71          HG23      THR  71   5.386   8.471  10.385
  543    H    VAL  72          H         VAL  72   7.633   5.967   8.507
  544    HA   VAL  72          HA        VAL  72   6.209   6.777   6.072
  545    HB   VAL  72          HB        VAL  72   6.979   4.007   7.126
  546   1HG1  VAL  72          HG13      VAL  72   6.031   5.001   4.385
  547   2HG1  VAL  72          HG11      VAL  72   6.552   3.346   4.768
  548   3HG1  VAL  72          HG12      VAL  72   5.080   4.001   5.496
  549   1HG2  VAL  72          HG23      VAL  72   8.288   5.893   5.108
  550   2HG2  VAL  72          HG21      VAL  72   8.977   5.391   6.654
  551   3HG2  VAL  72          HG22      VAL  72   8.728   4.194   5.367
  552    H    ASP  73          H         ASP  73   4.087   7.238   6.255
  553    HA   ASP  73          HA        ASP  73   2.408   5.665   8.190
  554   1HB   ASP  73          HB2       ASP  73   2.169   8.484   7.158
  555   2HB   ASP  73          HB3       ASP  73   0.717   7.553   7.577
  556    HD1  ASP  73          HD        ASP  73   1.627   7.034  10.926
  557    H    VAL  74          H         VAL  74   1.829   3.885   7.166
  558    HA   VAL  74          HA        VAL  74   1.438   3.869   4.249
  559    HB   VAL  74          HB        VAL  74   1.137   1.649   6.300
  560   1HG1  VAL  74          HG11      VAL  74   1.296   1.581   3.246
  561   2HG1  VAL  74          HG12      VAL  74   1.295   0.163   4.313
  562   3HG1  VAL  74          HG13      VAL  74  -0.140   1.189   4.217
  563   1HG2  VAL  74          HG23      VAL  74   3.428   2.483   4.462
  564   2HG2  VAL  74          HG21      VAL  74   3.446   2.404   6.242
  565   3HG2  VAL  74          HG22      VAL  74   3.352   0.921   5.285
  566    H    THR  75          H         THR  75  -0.265   5.117   3.821
  567    HA   THR  75          HA        THR  75  -2.777   4.935   5.309
  568    HB   THR  75          HB        THR  75  -1.910   6.777   3.071
  569    HG1  THR  75          HG1       THR  75  -0.661   6.957   4.942
  570   1HG2  THR  75          HG22      THR  75  -4.245   6.935   5.029
  571   2HG2  THR  75          HG23      THR  75  -3.778   8.178   3.850
  572   3HG2  THR  75          HG21      THR  75  -4.378   6.615   3.291
  573    H    PHE  76          H         PHE  76  -3.886   3.045   4.627
  574    HA   PHE  76          HA        PHE  76  -3.940   2.403   1.732
  575   1HB   PHE  76          HB2       PHE  76  -5.275   1.200   4.157
  576   2HB   PHE  76          HB3       PHE  76  -5.990   0.881   2.631
  577    HD1  PHE  76          HD2       PHE  76  -3.602   0.523   0.832
  578    HD2  PHE  76          HD1       PHE  76  -4.995  -1.169   4.539
  579    HE1  PHE  76          HE2       PHE  76  -3.384  -1.689  -0.116
  580    HE2  PHE  76          HE1       PHE  76  -4.751  -3.434   3.567
  581    HZ   PHE  76          HZ        PHE  76  -4.092  -3.683   1.188
  582    H    ILE  77          H         ILE  77  -5.700   2.336   0.490
  583    HA   ILE  77          HA        ILE  77  -8.355   3.079   1.472
  584    HB   ILE  77          HB        ILE  77  -7.195   4.351  -1.053
  585   1HG1  ILE  77          HG12      ILE  77  -8.642   6.270   0.287
  586   2HG1  ILE  77          HG13      ILE  77  -8.089   5.344   1.657
  587   1HG2  ILE  77          HG23      ILE  77  -9.472   3.336  -1.453
  588   2HG2  ILE  77          HG21      ILE  77 -10.051   4.198  -0.013
  589   3HG2  ILE  77          HG22      ILE  77  -9.520   5.083  -1.458
  590   1HD1  ILE  77          HD12      ILE  77  -5.702   5.571   0.733
  591   2HD1  ILE  77          HD13      ILE  77  -6.374   6.610  -0.544
  592   3HD1  ILE  77          HD11      ILE  77  -6.454   7.117   1.151
  593    H    ASN  78          H         ASN  78  -8.588   0.816   1.552
  594    HA   ASN  78          HA        ASN  78  -8.506  -0.506  -1.130
  595   1HB   ASN  78          HB2       ASN  78  -6.911  -1.799   0.037
  596   2HB   ASN  78          HB3       ASN  78  -7.862  -2.000   1.465
  597   1HD2  ASN  78          HD22      ASN  78  -9.178  -4.983  -0.095
  598   2HD2  ASN  78          HD21      ASN  78  -8.232  -4.341   1.243
  599    H    THR  79          H         THR  79 -10.461  -0.558  -1.848
  600    HA   THR  79          HA        THR  79 -12.700  -1.375  -0.118
  601    HB   THR  79          HB        THR  79 -12.695   1.255  -1.662
  602    HG1  THR  79          HG1       THR  79 -11.923   0.618   0.754
  603   1HG2  THR  79          HG23      THR  79 -14.931  -0.133  -0.138
  604   2HG2  THR  79          HG21      THR  79 -14.935   1.584  -0.595
  605   3HG2  THR  79          HG22      THR  79 -14.968   0.352  -1.844
  606    H    ASN  80          H         ASN  80 -11.034  -2.732  -1.921
  607    HA   ASN  80          HA        ASN  80 -12.469  -2.908  -4.443
  608   1HB   ASN  80          HB2       ASN  80  -9.998  -3.320  -4.195
  609   2HB   ASN  80          HB3       ASN  80 -10.384  -4.767  -3.253
  610   1HD2  ASN  80          HD21      ASN  80 -11.656  -4.671  -7.212
  611   2HD2  ASN  80          HD22      ASN  80 -11.403  -3.173  -6.316
  612    H    LYS  81          H         LYS  81 -14.433  -3.094  -3.263
  613    HA   LYS  81          HA        LYS  81 -15.887  -4.288  -1.737
  614   1HB   LYS  81          HB2       LYS  81 -16.429  -5.255  -4.567
  615   2HB   LYS  81          HB3       LYS  81 -17.591  -4.899  -3.280
  616   1HG   LYS  81          HG2       LYS  81 -16.748  -2.466  -3.399
  617   2HG   LYS  81          HG3       LYS  81 -15.851  -2.950  -4.855
  618   1HD   LYS  81          HD2       LYS  81 -18.021  -3.815  -5.832
  619   2HD   LYS  81          HD3       LYS  81 -18.873  -3.057  -4.479
  620   1HE   LYS  81          HE2       LYS  81 -17.105  -1.633  -6.532
  621   2HE   LYS  81          HE3       LYS  81 -18.876  -1.620  -6.489
  622   1HZ   LYS  81          HZ1       LYS  81 -18.781  -0.549  -4.375
  623   2HZ   LYS  81          HZ2       LYS  81 -17.130  -0.536  -4.396
  624   3HZ   LYS  81          HZ3       LYS  81 -17.975   0.341  -5.508
  625    H    GLY  82          H         GLY  82 -15.060  -5.898  -0.364
  626   1HA   GLY  82          HA2       GLY  82 -15.390  -8.096   0.363
  627   2HA   GLY  82          HA3       GLY  82 -15.478  -8.686  -1.294
  628    H    PHE  83          H         PHE  83 -12.921  -7.363  -2.150
  629    HA   PHE  83          HA        PHE  83 -11.153  -9.504  -1.209
  630   1HB   PHE  83          HB2       PHE  83 -10.730  -7.247  -3.167
  631   2HB   PHE  83          HB3       PHE  83  -9.553  -8.492  -2.799
  632    HD1  PHE  83          HD1       PHE  83  -9.950 -10.877  -3.420
  633    HD2  PHE  83          HD2       PHE  83 -12.713  -7.762  -4.556
  634    HE1  PHE  83          HE1       PHE  83 -10.916 -12.359  -5.160
  635    HE2  PHE  83          HE2       PHE  83 -13.686  -9.256  -6.271
  636    HZ   PHE  83          HZ        PHE  83 -12.764 -11.543  -6.606
  637    H    GLY  84          H         GLY  84 -10.783  -9.060   0.963
  638   1HA   GLY  84          HA2       GLY  84  -9.695  -6.682   2.127
  639   2HA   GLY  84          HA3       GLY  84  -9.582  -8.317   2.729
  640    H    HIS  85          H         HIS  85  -8.164  -6.689  -0.179
  641    HA   HIS  85          HA        HIS  85  -5.749  -8.066  -0.306
  642   1HB   HIS  85          HB2       HIS  85  -6.200  -5.112  -0.869
  643   2HB   HIS  85          HB3       HIS  85  -4.840  -6.068  -1.441
  644    HD2  HIS  85          HD2       HIS  85  -8.354  -5.090  -2.284
  645    HE1  HIS  85          HE1       HIS  85  -7.190  -7.779  -5.344
  646    HE2  HIS  85          HE2       HIS  85  -8.982  -6.159  -4.597
  647    H    SER  86          H         SER  86  -3.908  -8.142   0.938
  648    HA   SER  86          HA        SER  86  -3.724  -6.269   3.221
  649   1HB   SER  86          HB2       SER  86  -2.389  -8.164   4.186
  650   2HB   SER  86          HB3       SER  86  -4.040  -8.618   3.779
  651    HG   SER  86          HG        SER  86  -2.782 -10.203   2.982
  652    H    PHE  87          H         PHE  87  -2.210  -4.650   2.980
  653    HA   PHE  87          HA        PHE  87  -0.200  -4.968   0.856
  654   1HB   PHE  87          HB2       PHE  87  -1.397  -2.858   1.200
  655   2HB   PHE  87          HB3       PHE  87  -0.686  -2.674   2.786
  656    HD1  PHE  87          HD1       PHE  87   1.825  -2.253   2.969
  657    HD2  PHE  87          HD2       PHE  87  -0.289  -2.205  -0.795
  658    HE1  PHE  87          HE1       PHE  87   3.554  -0.758   1.999
  659    HE2  PHE  87          HE2       PHE  87   1.393  -0.652  -1.717
  660    HZ   PHE  87          HZ        PHE  87   3.326   0.066  -0.330
  661    H    ASP  88          H         ASP  88   1.224  -6.604   1.671
  662    HA   ASP  88          HA        ASP  88   2.064  -6.554   4.530
  663   1HB   ASP  88          HB2       ASP  88   2.473  -8.717   2.440
  664   2HB   ASP  88          HB3       ASP  88   2.608  -8.864   4.200
  665    HD2  ASP  88          HD        ASP  88  -0.852  -9.067   2.289
  666    H    ILE  89          H         ILE  89   4.252  -6.064   5.085
  667    HA   ILE  89          HA        ILE  89   6.057  -5.504   2.790
  668    HB   ILE  89          HB        ILE  89   6.074  -4.191   5.521
  669   1HG1  ILE  89          HG12      ILE  89   5.049  -3.206   2.823
  670   2HG1  ILE  89          HG13      ILE  89   4.068  -3.546   4.256
  671   1HG2  ILE  89          HG21      ILE  89   7.640  -3.663   2.977
  672   2HG2  ILE  89          HG22      ILE  89   7.698  -2.702   4.475
  673   3HG2  ILE  89          HG23      ILE  89   8.293  -4.348   4.481
  674   1HD1  ILE  89          HD11      ILE  89   5.390  -1.769   5.494
  675   2HD1  ILE  89          HD12      ILE  89   6.067  -1.289   3.925
  676   3HD1  ILE  89          HD13      ILE  89   4.326  -1.200   4.194
  677    H    THR  90          H         THR  90   7.941  -6.527   2.630
  678    HA   THR  90          HA        THR  90   9.329  -7.711   4.871
  679    HB   THR  90          HB        THR  90   7.699  -9.388   4.705
  680    HG1  THR  90          HG1       THR  90   9.342 -10.609   4.956
  681   1HG2  THR  90          HG22      THR  90   8.127  -9.438   1.701
  682   2HG2  THR  90          HG23      THR  90   7.264 -10.710   2.606
  683   3HG2  THR  90          HG21      THR  90   6.636  -9.060   2.580
  684    H    LYS  91          H         LYS  91  10.742  -9.557   2.995
  685    HA   LYS  91          HA        LYS  91  12.028  -7.494   1.209
  686   1HB   LYS  91          HB2       LYS  91  13.453  -9.646   2.817
  687   2HB   LYS  91          HB3       LYS  91  14.195  -8.490   1.690
  688   1HG   LYS  91          HG2       LYS  91  13.187  -6.628   3.123
  689   2HG   LYS  91          HG3       LYS  91  12.828  -7.856   4.344
  690   1HD   LYS  91          HD2       LYS  91  15.584  -7.152   3.219
  691   2HD   LYS  91          HD3       LYS  91  14.941  -6.644   4.784
  692   1HE   LYS  91          HE2       LYS  91  14.767  -9.044   5.482
  693   2HE   LYS  91          HE3       LYS  91  15.504  -9.527   3.941
  694   1HZ   LYS  91          HZ3       LYS  91  16.761  -7.819   5.965
  695   2HZ   LYS  91          HZ1       LYS  91  17.106  -9.405   5.681
  696   3HZ   LYS  91          HZ2       LYS  91  17.434  -8.273   4.530
  697    H    LYS  92          H         LYS  92   9.937  -9.043   0.360
  698    HA   LYS  92          HA        LYS  92  10.921 -11.387  -1.086
  699   1HB   LYS  92          HB2       LYS  92   8.336  -9.790  -1.142
  700   2HB   LYS  92          HB3       LYS  92   8.624 -11.195  -2.178
  701   1HG   LYS  92          HG2       LYS  92   9.004 -11.405   0.822
  702   2HG   LYS  92          HG3       LYS  92   7.383 -11.502   0.127
  703   1HD   LYS  92          HD2       LYS  92   9.635 -13.286  -0.897
  704   2HD   LYS  92          HD3       LYS  92   8.719 -13.670   0.557
  705   1HE   LYS  92          HE2       LYS  92   6.593 -13.589  -0.704
  706   2HE   LYS  92          HE3       LYS  92   7.502 -13.299  -2.203
  707   1HZ   LYS  92          HZ3       LYS  92   7.828 -15.626  -0.435
  708   2HZ   LYS  92          HZ1       LYS  92   6.939 -15.614  -1.828
  709   3HZ   LYS  92          HZ2       LYS  92   8.573 -15.393  -1.887
  710    H    GLY  93          H         GLY  93  12.652 -10.681  -2.393
  711   1HA   GLY  93          HA2       GLY  93  12.342  -8.460  -4.248
  712   2HA   GLY  93          HA3       GLY  93  13.605  -9.707  -4.290
  713    HA   PRO  94          HA        PRO  94  10.127 -10.690  -7.423
  714   1HB   PRO  94          HB2       PRO  94  11.243  -9.718  -9.782
  715   2HB   PRO  94          HB3       PRO  94  10.103  -8.804  -8.770
  716   1HG   PRO  94          HG2       PRO  94  13.115  -8.641  -8.795
  717   2HG   PRO  94          HG3       PRO  94  11.928  -7.298  -8.789
  718   1HD   PRO  94          HD2       PRO  94  13.187  -8.154  -6.512
  719   2HD   PRO  94          HD3       PRO  94  11.484  -7.609  -6.479
  720    HA   PRO  95          HA        PRO  95   9.744 -11.645  -9.665
  721   1HB   PRO  95          HB2       PRO  95   9.179 -14.133 -10.575
  722   2HB   PRO  95          HB3       PRO  95  10.395 -13.090 -11.371
  723   1HG   PRO  95          HG2       PRO  95  10.899 -15.292  -9.346
  724   2HG   PRO  95          HG3       PRO  95  11.703 -15.056 -10.925
  725   1HD   PRO  95          HD2       PRO  95  12.786 -14.154  -8.563
  726   2HD   PRO  95          HD3       PRO  95  12.985 -13.243 -10.085
  727    H    TYR  96          H         TYR  96   7.673 -11.906  -8.779
  728    HA   TYR  96          HA        TYR  96   7.513 -13.205  -6.152
  729   1HB   TYR  96          HB2       TYR  96   5.394 -11.759  -7.762
  730   2HB   TYR  96          HB3       TYR  96   5.242 -12.293  -6.099
  731    HD1  TYR  96          HD2       TYR  96   6.492 -11.198  -4.293
  732    HD2  TYR  96          HD1       TYR  96   6.799  -9.804  -8.360
  733    HE1  TYR  96          HE2       TYR  96   7.847  -9.276  -3.544
  734    HE2  TYR  96          HE1       TYR  96   8.353  -8.023  -7.618
  735    HH   TYR  96          HH        TYR  96   9.476  -7.814  -4.264
  736    H    ALA  97          H         ALA  97   5.945 -14.809  -5.673
  737    HA   ALA  97          HA        ALA  97   5.516 -16.717  -7.921
  738   1HB   ALA  97          HB1       ALA  97   6.911 -17.535  -6.059
  739   2HB   ALA  97          HB2       ALA  97   5.609 -17.159  -4.906
  740   3HB   ALA  97          HB3       ALA  97   5.370 -18.411  -6.141
  741    H    VAL  98          H         VAL  98   3.523 -17.657  -8.222
  742    HA   VAL  98          HA        VAL  98   1.164 -16.187  -7.520
  743    HB   VAL  98          HB        VAL  98   1.737 -18.904  -8.736
  744   1HG1  VAL  98          HG13      VAL  98  -1.029 -17.715  -8.259
  745   2HG1  VAL  98          HG11      VAL  98  -0.671 -19.076  -9.336
  746   3HG1  VAL  98          HG12      VAL  98  -0.399 -19.239  -7.601
  747   1HG2  VAL  98          HG22      VAL  98   2.195 -16.898 -10.111
  748   2HG2  VAL  98          HG23      VAL  98   0.861 -17.856 -10.775
  749   3HG2  VAL  98          HG21      VAL  98   0.519 -16.360  -9.883
  750    H    MET  99          H         MET  99   2.932 -18.866  -6.035
  751    HA   MET  99          HA        MET  99   0.868 -19.477  -4.094
  752   1HB   MET  99          HB2       MET  99   3.809 -20.223  -4.119
  753   2HB   MET  99          HB3       MET  99   2.567 -20.838  -3.030
  754   1HG   MET  99          HG2       MET  99   2.746 -22.511  -4.656
  755   2HG   MET  99          HG3       MET  99   1.277 -21.636  -5.071
  756   1HE   MET  99          HE2       MET  99   4.938 -22.541  -6.014
  757   2HE   MET  99          HE3       MET  99   5.240 -21.532  -7.449
  758   3HE   MET  99          HE1       MET  99   5.098 -20.776  -5.847
  759    HA   PRO 100          HA        PRO 100   2.262 -15.752  -1.913
  760   1HB   PRO 100          HB2       PRO 100   0.352 -15.513  -0.032
  761   2HB   PRO 100          HB3       PRO 100  -0.025 -15.327  -1.770
  762   1HG   PRO 100          HG2       PRO 100  -0.420 -17.781  -0.044
  763   2HG   PRO 100          HG3       PRO 100  -1.580 -17.020  -1.163
  764   1HD   PRO 100          HD2       PRO 100   0.052 -19.176  -1.833
  765   2HD   PRO 100          HD3       PRO 100  -0.511 -17.991  -3.036
  766    H    VAL 101          H         VAL 101   4.170 -17.199  -1.402
  767    HA   VAL 101          HA        VAL 101   4.137 -18.717   1.052
  768    HB   VAL 101          HB        VAL 101   6.481 -17.654  -0.578
  769   1HG1  VAL 101          HG11      VAL 101   6.382 -19.804   1.589
  770   2HG1  VAL 101          HG12      VAL 101   7.788 -19.419   0.575
  771   3HG1  VAL 101          HG13      VAL 101   7.187 -18.227   1.730
  772   1HG2  VAL 101          HG23      VAL 101   5.107 -20.381  -0.558
  773   2HG2  VAL 101          HG21      VAL 101   5.050 -19.197  -1.878
  774   3HG2  VAL 101          HG22      VAL 101   6.580 -19.969  -1.460
  775    H    ILE 102          H         ILE 102   3.725 -17.679   2.923
  776    HA   ILE 102          HA        ILE 102   4.435 -14.896   3.301
  777    HB   ILE 102          HB        ILE 102   3.587 -15.208   5.541
  778   1HG1  ILE 102          HG12      ILE 102   2.438 -17.876   4.535
  779   2HG1  ILE 102          HG13      ILE 102   3.800 -17.763   5.657
  780   1HG2  ILE 102          HG23      ILE 102   2.312 -14.230   3.725
  781   2HG2  ILE 102          HG21      ILE 102   1.692 -15.830   3.241
  782   3HG2  ILE 102          HG22      ILE 102   1.220 -15.098   4.789
  783   1HD1  ILE 102          HD11      ILE 102   2.330 -16.473   7.240
  784   2HD1  ILE 102          HD12      ILE 102   0.955 -16.817   6.163
  785   3HD1  ILE 102          HD13      ILE 102   1.819 -18.148   6.947
  786    H    ASP 103          H         ASP 103   6.547 -15.111   2.929
  787    HA   ASP 103          HA        ASP 103   8.421 -16.206   4.908
  788   1HB   ASP 103          HB2       ASP 103   8.762 -14.063   2.764
  789   2HB   ASP 103          HB3       ASP 103  10.084 -14.656   3.766
  790    HD1  ASP 103          HD        ASP 103  10.200 -17.819   2.252
  791    HA   PRO 104          HA        PRO 104   7.903 -13.640   8.285
  792   1HB   PRO 104          HB2       PRO 104  10.652 -12.438   7.824
  793   2HB   PRO 104          HB3       PRO 104   9.884 -12.877   9.380
  794   1HG   PRO 104          HG2       PRO 104  11.561 -14.641   8.209
  795   2HG   PRO 104          HG3       PRO 104   9.988 -15.225   8.830
  796   1HD   PRO 104          HD2       PRO 104  10.764 -14.611   5.985
  797   2HD   PRO 104          HD3       PRO 104   9.784 -15.961   6.628
  798    H    ILE 105          H         ILE 105   6.301 -12.171   8.045
  799    HA   ILE 105          HA        ILE 105   6.608  -9.752   6.423
  800    HB   ILE 105          HB        ILE 105   4.376 -10.750   8.207
  801   1HG1  ILE 105          HG12      ILE 105   4.523 -12.139   6.250
  802   2HG1  ILE 105          HG13      ILE 105   3.166 -11.036   6.039
  803   1HG2  ILE 105          HG21      ILE 105   4.490  -8.289   6.423
  804   2HG2  ILE 105          HG22      ILE 105   3.008  -8.956   7.134
  805   3HG2  ILE 105          HG23      ILE 105   4.282  -8.327   8.181
  806   1HD1  ILE 105          HD11      ILE 105   4.795  -9.566   4.625
  807   2HD1  ILE 105          HD12      ILE 105   5.875 -10.975   4.672
  808   3HD1  ILE 105          HD13      ILE 105   4.279 -11.120   3.938
  809    H    VAL 106          H         VAL 106   7.439  -7.923   7.116
  810    HA   VAL 106          HA        VAL 106   8.307  -7.745   9.954
  811    HB   VAL 106          HB        VAL 106   8.952  -6.062   7.482
  812   1HG1  VAL 106          HG11      VAL 106  10.072  -5.928  10.322
  813   2HG1  VAL 106          HG12      VAL 106  10.706  -5.046   8.916
  814   3HG1  VAL 106          HG13      VAL 106   9.094  -4.672   9.534
  815   1HG2  VAL 106          HG23      VAL 106  10.605  -8.095   9.033
  816   2HG2  VAL 106          HG21      VAL 106   9.951  -8.310   7.396
  817   3HG2  VAL 106          HG22      VAL 106  11.186  -7.081   7.696
  818    H    ALA 107          H         ALA 107   7.075  -5.341   7.665
  819    HA   ALA 107          HA        ALA 107   5.042  -4.433   9.674
  820   1HB   ALA 107          HB2       ALA 107   6.344  -2.873   7.381
  821   2HB   ALA 107          HB3       ALA 107   5.027  -2.297   8.423
  822   3HB   ALA 107          HB1       ALA 107   6.624  -2.614   9.110
  823    H    GLY 108          H         GLY 108   2.914  -3.787   8.581
  824   1HA   GLY 108          HA2       GLY 108   2.316  -4.355   5.963
  825   2HA   GLY 108          HA3       GLY 108   2.120  -5.919   6.805
  826    H    THR 109          H         THR 109  -0.050  -4.493   5.617
  827    HA   THR 109          HA        THR 109  -1.473  -3.195   7.801
  828    HB   THR 109          HB        THR 109  -3.346  -3.123   6.230
  829    HG1  THR 109          HG1       THR 109  -3.131  -5.022   5.087
  830   1HG2  THR 109          HG21      THR 109  -1.604  -1.424   6.191
  831   2HG2  THR 109          HG22      THR 109  -0.690  -2.366   4.982
  832   3HG2  THR 109          HG23      THR 109  -2.257  -1.685   4.569
  833    H    GLY 110          H         GLY 110  -1.656  -6.318   6.103
  834   1HA   GLY 110          HA2       GLY 110  -2.420  -8.390   7.089
  835   2HA   GLY 110          HA3       GLY 110  -3.236  -7.454   8.368
  836    H    PHE 111          H         PHE 111  -5.253  -8.793   7.346
  837    HA   PHE 111          HA        PHE 111  -5.962  -7.897   4.606
  838   1HB   PHE 111          HB2       PHE 111  -7.529  -9.817   6.294
  839   2HB   PHE 111          HB3       PHE 111  -7.704  -9.476   4.597
  840    HD1  PHE 111          HD2       PHE 111  -5.368 -11.051   7.068
  841    HD2  PHE 111          HD1       PHE 111  -6.306 -10.495   2.896
  842    HE1  PHE 111          HE2       PHE 111  -3.458 -12.501   6.435
  843    HE2  PHE 111          HE1       PHE 111  -4.424 -11.980   2.280
  844    HZ   PHE 111          HZ        PHE 111  -2.948 -12.928   4.029
  845    H    SER 112          H         SER 112  -7.464  -6.439   4.071
  846    HA   SER 112          HA        SER 112  -8.224  -4.615   6.183
  847   1HB   SER 112          HB2       SER 112  -8.810  -3.286   3.946
  848   2HB   SER 112          HB3       SER 112  -7.115  -3.605   4.349
  849    HG   SER 112          HG        SER 112  -6.915  -4.979   2.791
  850    HA   PRO 113          HA        PRO 113 -12.681  -5.143   5.776
  851   1HB   PRO 113          HB2       PRO 113 -13.569  -2.747   6.709
  852   2HB   PRO 113          HB3       PRO 113 -12.772  -3.921   7.797
  853   1HG   PRO 113          HG2       PRO 113 -11.519  -1.518   6.438
  854   2HG   PRO 113          HG3       PRO 113 -11.405  -1.974   8.153
  855   1HD   PRO 113          HD2       PRO 113  -9.493  -2.624   6.285
  856   2HD   PRO 113          HD3       PRO 113  -9.857  -3.704   7.671
  857    H    VAL 114          H         VAL 114 -14.116  -4.598   4.023
  858    HA   VAL 114          HA        VAL 114 -13.236  -2.451   2.137
  859    HB   VAL 114          HB        VAL 114 -13.637  -4.228   0.329
  860   1HG1  VAL 114          HG11      VAL 114 -11.466  -3.128   0.857
  861   2HG1  VAL 114          HG12      VAL 114 -11.113  -4.428   2.012
  862   3HG1  VAL 114          HG13      VAL 114 -11.326  -4.786   0.284
  863   1HG2  VAL 114          HG22      VAL 114 -14.415  -6.102   1.816
  864   2HG2  VAL 114          HG23      VAL 114 -12.915  -6.481   0.944
  865   3HG2  VAL 114          HG21      VAL 114 -12.843  -6.083   2.647
  866    HA   PRO 115          HA        PRO 115 -17.760  -1.981   2.539
  867   1HB   PRO 115          HB2       PRO 115 -16.777   0.547   1.197
  868   2HB   PRO 115          HB3       PRO 115 -18.100   0.367   2.386
  869   1HG   PRO 115          HG2       PRO 115 -15.671   1.257   3.218
  870   2HG   PRO 115          HG3       PRO 115 -16.494  -0.022   4.163
  871   1HD   PRO 115          HD2       PRO 115 -14.304  -0.353   2.094
  872   2HD   PRO 115          HD3       PRO 115 -14.441  -1.094   3.713
  873    H    LYS 116          H         LYS 116 -19.386  -1.386   0.799
  874    HA   LYS 116          HA        LYS 116 -18.451  -2.340  -1.857
  875   1HB   LYS 116          HB2       LYS 116 -21.149  -2.730  -0.522
  876   2HB   LYS 116          HB3       LYS 116 -20.664  -3.359  -2.111
  877   1HG   LYS 116          HG2       LYS 116 -18.780  -4.604  -0.975
  878   2HG   LYS 116          HG3       LYS 116 -19.459  -4.155   0.587
  879   1HD   LYS 116          HD2       LYS 116 -20.811  -5.804  -1.606
  880   2HD   LYS 116          HD3       LYS 116 -20.154  -6.424  -0.090
  881   1HE   LYS 116          HE2       LYS 116 -22.562  -4.565  -0.397
  882   2HE   LYS 116          HE3       LYS 116 -22.584  -6.274   0.047
  883   1HZ   LYS 116          HZ3       LYS 116 -21.366  -5.724   2.029
  884   2HZ   LYS 116          HZ1       LYS 116 -21.368  -4.125   1.631
  885   3HZ   LYS 116          HZ2       LYS 116 -22.787  -4.894   1.957
  886    H    ASP 117          H         ASP 117 -19.431   0.401  -0.476
  887    HA   ASP 117          HA        ASP 117 -19.502   1.903  -2.794
  888   1HB   ASP 117          HB2       ASP 117 -21.688   0.881  -3.401
  889   2HB   ASP 117          HB3       ASP 117 -22.339   1.309  -1.810
  890    HD1  ASP 117          HD        ASP 117 -21.572   4.416  -4.251
  891    H    GLY 118          H         GLY 118 -19.902   4.139  -2.366
  892   1HA   GLY 118          HA2       GLY 118 -19.924   6.085  -1.217
  893   2HA   GLY 118          HA3       GLY 118 -20.882   5.309   0.039
  894    H    LYS 119          H         LYS 119 -19.366   3.598   1.311
  895    HA   LYS 119          HA        LYS 119 -17.522   5.343   2.735
  896   1HB   LYS 119          HB2       LYS 119 -18.154   2.429   3.292
  897   2HB   LYS 119          HB3       LYS 119 -17.451   3.608   4.399
  898   1HG   LYS 119          HG2       LYS 119 -20.316   3.536   3.337
  899   2HG   LYS 119          HG3       LYS 119 -19.758   3.194   4.977
  900   1HD   LYS 119          HD2       LYS 119 -18.918   5.575   5.132
  901   2HD   LYS 119          HD3       LYS 119 -19.683   5.885   3.552
  902   1HE   LYS 119          HE2       LYS 119 -21.886   5.236   4.483
  903   2HE   LYS 119          HE3       LYS 119 -21.135   4.951   6.066
  904   1HZ   LYS 119          HZ1       LYS 119 -20.504   7.252   6.110
  905   2HZ   LYS 119          HZ2       LYS 119 -21.203   7.518   4.641
  906   3HZ   LYS 119          HZ3       LYS 119 -22.135   7.101   5.933
  907    H    PHE 120          H         PHE 120 -15.325   4.681   3.201
  908    HA   PHE 120          HA        PHE 120 -14.017   2.984   1.125
  909   1HB   PHE 120          HB2       PHE 120 -13.745   5.876   1.742
  910   2HB   PHE 120          HB3       PHE 120 -12.245   5.073   1.387
  911    HD1  PHE 120          HD1       PHE 120 -12.085   3.688  -0.807
  912    HD2  PHE 120          HD2       PHE 120 -15.617   5.898   0.063
  913    HE1  PHE 120          HE1       PHE 120 -12.645   3.713  -3.225
  914    HE2  PHE 120          HE2       PHE 120 -16.272   5.825  -2.319
  915    HZ   PHE 120          HZ        PHE 120 -14.707   4.888  -4.004
  916    H    GLY 121          H         GLY 121 -13.055   1.429   2.183
  917   1HA   GLY 121          HA2       GLY 121 -12.274   1.429   4.955
  918   2HA   GLY 121          HA3       GLY 121 -11.851   0.234   3.720
  919    H    TYR 122          H         TYR 122 -10.619   2.623   5.732
  920    HA   TYR 122          HA        TYR 122  -8.135   2.792   4.138
  921   1HB   TYR 122          HB2       TYR 122  -7.660   4.986   4.792
  922   2HB   TYR 122          HB3       TYR 122  -9.315   5.011   4.238
  923    HD1  TYR 122          HD1       TYR 122  -6.965   5.394   7.059
  924    HD2  TYR 122          HD2       TYR 122 -11.075   5.566   5.833
  925    HE1  TYR 122          HE1       TYR 122  -7.482   6.801   9.024
  926    HE2  TYR 122          HE2       TYR 122 -11.605   6.985   7.818
  927    HH   TYR 122          HH        TYR 122 -10.751   8.123   9.605
  928    H    THR 123          H         THR 123  -6.226   3.317   5.628
  929    HA   THR 123          HA        THR 123  -6.416   2.081   8.271
  930    HB   THR 123          HB        THR 123  -4.625   0.846   6.160
  931    HG1  THR 123          HG1       THR 123  -7.345   0.311   6.611
  932   1HG2  THR 123          HG23      THR 123  -4.168   0.458   8.461
  933   2HG2  THR 123          HG21      THR 123  -5.805  -0.240   8.646
  934   3HG2  THR 123          HG22      THR 123  -4.588  -1.045   7.613
  935    H    ASP 124          H         ASP 124  -4.476   2.625   9.453
  936    HA   ASP 124          HA        ASP 124  -2.308   4.012   7.978
  937   1HB   ASP 124          HB2       ASP 124  -4.248   5.394   9.822
  938   2HB   ASP 124          HB3       ASP 124  -2.540   5.837   9.899
  939    HD1  ASP 124          HD        ASP 124  -2.300   7.051   6.652
  940    H    PHE 125          H         PHE 125  -0.788   2.514   8.558
  941    HA   PHE 125          HA        PHE 125  -0.265   2.352  11.505
  942   1HB   PHE 125          HB2       PHE 125   1.058   0.466  11.249
  943   2HB   PHE 125          HB3       PHE 125  -0.473   0.122  10.499
  944    HD1  PHE 125          HD1       PHE 125   3.140   0.889   9.877
  945    HD2  PHE 125          HD2       PHE 125  -0.557  -0.522   8.156
  946    HE1  PHE 125          HE1       PHE 125   4.383  -0.070   7.973
  947    HE2  PHE 125          HE2       PHE 125   0.756  -1.672   6.377
  948    HZ   PHE 125          HZ        PHE 125   3.186  -1.498   6.309
  949    H    THR 126          H         THR 126   1.853   2.903  12.147
  950    HA   THR 126          HA        THR 126   3.314   4.677  10.259
  951    HB   THR 126          HB        THR 126   3.346   4.644  13.301
  952    HG1  THR 126          HG1       THR 126   1.343   5.319  12.388
  953   1HG2  THR 126          HG23      THR 126   4.413   6.569  11.203
  954   2HG2  THR 126          HG21      THR 126   4.389   6.894  12.952
  955   3HG2  THR 126          HG22      THR 126   5.401   5.584  12.307
  956    H    TRP 127          H         TRP 127   5.409   4.060   9.726
  957    HA   TRP 127          HA        TRP 127   6.814   2.082  11.419
  958   1HB   TRP 127          HB2       TRP 127   5.801   0.802   9.623
  959   2HB   TRP 127          HB3       TRP 127   6.373   1.929   8.401
  960    HD1  TRP 127          HD1       TRP 127   8.509   0.333  11.140
  961    HE1  TRP 127          HE1       TRP 127  10.297  -1.187  10.109
  962    HE3  TRP 127          HE3       TRP 127   7.178   0.768   6.250
  963    HZ2  TRP 127          HZ2       TRP 127  11.027  -2.124   7.423
  964    HZ3  TRP 127          HZ3       TRP 127   8.585  -0.243   4.472
  965    HH2  TRP 127          HH2       TRP 127  10.334  -1.834   5.032
  966    H    HIS 128          H         HIS 128   8.983   2.434  11.573
  967    HA   HIS 128          HA        HIS 128  10.171   4.778  10.132
  968   1HB   HIS 128          HB2       HIS 128  10.791   3.608  12.867
  969   2HB   HIS 128          HB3       HIS 128  11.772   4.808  12.020
  970    HD1  HIS 128          HD1       HIS 128   8.435   4.522  13.873
  971    HD2  HIS 128          HD2       HIS 128  10.707   7.285  11.639
  972    HE1  HIS 128          HE1       HIS 128   7.283   6.804  14.134
  973    HE2  HIS 128          HE2       HIS 128   8.657   8.465  12.726
  974    HA   PRO 129          HA        PRO 129  11.764   0.744   8.627
  975   1HB   PRO 129          HB2       PRO 129  12.431   1.326   6.138
  976   2HB   PRO 129          HB3       PRO 129  10.724   1.202   6.620
  977   1HG   PRO 129          HG2       PRO 129  12.301   3.780   6.423
  978   2HG   PRO 129          HG3       PRO 129  10.744   3.385   5.652
  979   1HD   PRO 129          HD2       PRO 129  10.862   4.680   8.040
  980   2HD   PRO 129          HD3       PRO 129   9.621   3.407   7.791
  981    H    THR 130          H         THR 130  13.997  -0.003   8.511
  982    HA   THR 130          HA        THR 130  16.107   1.937   9.038
  983    HB   THR 130          HB        THR 130  17.389  -0.400   8.890
  984    HG1  THR 130          HG1       THR 130  15.687  -1.565   7.917
  985   1HG2  THR 130          HG21      THR 130  15.250   0.124  11.010
  986   2HG2  THR 130          HG22      THR 130  16.640  -0.965  11.182
  987   3HG2  THR 130          HG23      THR 130  16.902   0.783  11.016
  988    H    ALA 131          H         ALA 131  18.150   1.864   7.637
  989    HA   ALA 131          HA        ALA 131  17.359   2.549   5.013
  990   1HB   ALA 131          HB3       ALA 131  19.340   3.492   6.149
  991   2HB   ALA 131          HB1       ALA 131  20.176   1.933   5.949
  992   3HB   ALA 131          HB2       ALA 131  19.704   2.892   4.525
  993    H    GLY 132          H         GLY 132  18.437   1.633   3.001
  994   1HA   GLY 132          HA2       GLY 132  19.334  -0.163   1.751
  995   2HA   GLY 132          HA3       GLY 132  18.775  -1.342   2.962
  996    H    THR 133          H         THR 133  17.000  -2.508   2.125
  997    HA   THR 133          HA        THR 133  14.937  -1.067   0.697
  998    HB   THR 133          HB        THR 133  16.551  -3.221  -0.728
  999    HG1  THR 133          HG1       THR 133  16.676  -0.466  -0.675
 1000   1HG2  THR 133          HG22      THR 133  14.169  -1.559  -1.667
 1001   2HG2  THR 133          HG23      THR 133  15.202  -2.542  -2.720
 1002   3HG2  THR 133          HG21      THR 133  14.226  -3.326  -1.474
 1003    H    TYR 134          H         TYR 134  13.009  -2.109   0.618
 1004    HA   TYR 134          HA        TYR 134  12.738  -4.901   1.568
 1005   1HB   TYR 134          HB2       TYR 134  10.815  -2.726   2.460
 1006   2HB   TYR 134          HB3       TYR 134  10.970  -4.345   3.086
 1007    HD1  TYR 134          HD1       TYR 134  12.371  -0.953   3.085
 1008    HD2  TYR 134          HD2       TYR 134  12.706  -4.917   4.746
 1009    HE1  TYR 134          HE1       TYR 134  14.173  -0.185   4.529
 1010    HE2  TYR 134          HE2       TYR 134  14.541  -4.135   6.221
 1011    HH   TYR 134          HH        TYR 134  16.065  -0.961   5.771
 1012    H    TYR 135          H         TYR 135  10.113  -5.279   1.167
 1013    HA   TYR 135          HA        TYR 135   9.296  -4.051  -1.359
 1014   1HB   TYR 135          HB2       TYR 135   9.730  -7.032  -0.972
 1015   2HB   TYR 135          HB3       TYR 135   8.839  -6.323  -2.312
 1016    HD1  TYR 135          HD2       TYR 135  12.220  -6.734  -0.825
 1017    HD2  TYR 135          HD1       TYR 135   9.961  -5.273  -4.182
 1018    HE1  TYR 135          HE2       TYR 135  14.303  -6.560  -2.131
 1019    HE2  TYR 135          HE1       TYR 135  12.037  -5.257  -5.546
 1020    HH   TYR 135          HH        TYR 135  15.230  -6.060  -4.190
 1021    H    TYR 136          H         TYR 136   7.081  -4.094  -1.645
 1022    HA   TYR 136          HA        TYR 136   5.460  -5.115   0.636
 1023   1HB   TYR 136          HB2       TYR 136   3.719  -3.592  -0.016
 1024   2HB   TYR 136          HB3       TYR 136   5.189  -2.745   0.427
 1025    HD1  TYR 136          HD1       TYR 136   6.528  -1.544  -1.259
 1026    HD2  TYR 136          HD2       TYR 136   2.804  -3.443  -2.298
 1027    HE1  TYR 136          HE1       TYR 136   6.271   0.004  -3.159
 1028    HE2  TYR 136          HE2       TYR 136   2.537  -1.856  -4.198
 1029    HH   TYR 136          HH        TYR 136   5.014   0.530  -5.044
 1030    H    VAL 137          H         VAL 137   3.773  -6.506   0.158
 1031    HA   VAL 137          HA        VAL 137   3.187  -7.281  -2.622
 1032    HB   VAL 137          HB        VAL 137   3.504  -9.684  -2.021
 1033   1HG1  VAL 137          HG11      VAL 137   5.178  -8.546  -3.390
 1034   2HG1  VAL 137          HG12      VAL 137   6.108  -8.118  -1.929
 1035   3HG1  VAL 137          HG13      VAL 137   5.869  -9.817  -2.365
 1036   1HG2  VAL 137          HG23      VAL 137   5.085  -8.588   0.368
 1037   2HG2  VAL 137          HG21      VAL 137   3.570  -9.514   0.451
 1038   3HG2  VAL 137          HG22      VAL 137   5.045 -10.272  -0.162
 1039    H    CYS 138          H         CYS 138   1.202  -8.277  -2.810
 1040    HA   CYS 138          HA        CYS 138  -0.594  -8.367  -0.448
 1041   1HB   CYS 138          HB2       CYS 138  -1.370  -7.264  -2.512
 1042   2HB   CYS 138          HB3       CYS 138  -1.112  -8.767  -3.382
 1043    H    GLN 139          H         GLN 139  -0.141 -10.255   0.726
 1044    HA   GLN 139          HA        GLN 139   0.543 -12.727  -0.592
 1045   1HB   GLN 139          HB2       GLN 139  -0.198 -12.053   2.276
 1046   2HB   GLN 139          HB3       GLN 139   0.364 -13.642   1.780
 1047   1HG   GLN 139          HG2       GLN 139   1.933 -11.047   1.454
 1048   2HG   GLN 139          HG3       GLN 139   2.190 -12.249   2.710
 1049   1HE2  GLN 139          HE21      GLN 139   3.791 -14.615   0.476
 1050   2HE2  GLN 139          HE22      GLN 139   2.532 -14.652   1.690
 1051    H    ILE 140          H         ILE 140  -1.921 -11.925  -1.698
 1052    HA   ILE 140          HA        ILE 140  -3.803 -14.043  -0.759
 1053    HB   ILE 140          HB        ILE 140  -4.228 -11.640  -2.559
 1054   1HG1  ILE 140          HG12      ILE 140  -5.326 -12.507   0.151
 1055   2HG1  ILE 140          HG13      ILE 140  -4.288 -11.112  -0.179
 1056   1HG2  ILE 140          HG21      ILE 140  -5.431 -13.643  -3.469
 1057   2HG2  ILE 140          HG22      ILE 140  -6.224 -13.840  -1.884
 1058   3HG2  ILE 140          HG23      ILE 140  -6.532 -12.412  -2.879
 1059   1HD1  ILE 140          HD11      ILE 140  -6.201 -10.151  -1.559
 1060   2HD1  ILE 140          HD12      ILE 140  -7.213 -11.474  -0.937
 1061   3HD1  ILE 140          HD13      ILE 140  -6.507 -10.310   0.184
 1062    HA   PRO 141          HA        PRO 141  -1.855 -16.519  -3.871
 1063   1HB   PRO 141          HB2       PRO 141  -4.682 -17.200  -4.734
 1064   2HB   PRO 141          HB3       PRO 141  -3.280 -18.303  -4.593
 1065   1HG   PRO 141          HG2       PRO 141  -5.097 -18.194  -2.588
 1066   2HG   PRO 141          HG3       PRO 141  -3.356 -18.186  -2.194
 1067   1HD   PRO 141          HD2       PRO 141  -5.273 -15.864  -2.284
 1068   2HD   PRO 141          HD3       PRO 141  -3.984 -16.216  -1.096
 1069    H    GLY 142          H         GLY 142  -1.053 -16.175  -5.899
 1070   1HA   GLY 142          HA2       GLY 142  -0.916 -15.428  -8.082
 1071   2HA   GLY 142          HA3       GLY 142  -2.610 -14.953  -8.033
 1072    H    HIS 143          H         HIS 143  -2.710 -13.148  -6.034
 1073    HA   HIS 143          HA        HIS 143  -2.378 -10.784  -7.279
 1074   1HB   HIS 143          HB2       HIS 143  -2.295 -11.260  -4.316
 1075   2HB   HIS 143          HB3       HIS 143  -2.404  -9.688  -5.096
 1076    HD2  HIS 143          HD2       HIS 143  -4.525 -12.520  -6.695
 1077    HE1  HIS 143          HE1       HIS 143  -7.198 -10.070  -4.511
 1078    HE2  HIS 143          HE2       HIS 143  -6.993 -12.042  -6.107
 1079    H    ALA 144          H         ALA 144   0.127 -11.840  -4.877
 1080    HA   ALA 144          HA        ALA 144   1.849  -9.677  -5.179
 1081   1HB   ALA 144          HB3       ALA 144   2.198 -11.453  -3.528
 1082   2HB   ALA 144          HB1       ALA 144   2.724 -12.557  -4.826
 1083   3HB   ALA 144          HB2       ALA 144   3.657 -11.082  -4.473
 1084    H    ALA 145          H         ALA 145   1.514 -12.509  -7.339
 1085    HA   ALA 145          HA        ALA 145   3.724 -11.697  -9.106
 1086   1HB   ALA 145          HB3       ALA 145   3.225 -14.098  -8.777
 1087   2HB   ALA 145          HB1       ALA 145   1.603 -13.861  -9.447
 1088   3HB   ALA 145          HB2       ALA 145   3.027 -13.593 -10.461
 1089    H    THR 146          H         THR 146   0.115 -11.746  -9.191
 1090    HA   THR 146          HA        THR 146   0.117 -10.391 -11.774
 1091    HB   THR 146          HB        THR 146  -2.290 -10.548 -11.632
 1092    HG1  THR 146          HG1       THR 146  -2.414 -10.171  -9.394
 1093   1HG2  THR 146          HG22      THR 146  -1.006 -12.567 -12.340
 1094   2HG2  THR 146          HG23      THR 146  -1.005 -13.147 -10.659
 1095   3HG2  THR 146          HG21      THR 146  -2.535 -12.974 -11.536
 1096    H    GLY 147          H         GLY 147   1.526  -8.709 -10.578
 1097   1HA   GLY 147          HA2       GLY 147   1.793  -6.488 -10.223
 1098   2HA   GLY 147          HA3       GLY 147   0.193  -6.295 -10.931
 1099    H    MET 148          H         MET 148   0.769  -7.882  -7.701
 1100    HA   MET 148          HA        MET 148  -0.123  -5.310  -6.423
 1101   1HB   MET 148          HB2       MET 148  -0.666  -8.117  -5.443
 1102   2HB   MET 148          HB3       MET 148  -1.139  -6.588  -4.708
 1103   1HG   MET 148          HG3       MET 148  -2.247  -6.303  -7.188
 1104   2HG   MET 148          HG2       MET 148  -2.311  -8.043  -6.985
 1105   1HE   MET 148          HE1       MET 148  -3.636  -4.598  -6.076
 1106   2HE   MET 148          HE3       MET 148  -4.615  -4.840  -4.610
 1107   3HE   MET 148          HE2       MET 148  -2.841  -4.972  -4.528
 1108    H    PHE 149          H         PHE 149   2.342  -4.983  -6.715
 1109    HA   PHE 149          HA        PHE 149   3.522  -5.529  -4.140
 1110   1HB   PHE 149          HB2       PHE 149   5.389  -6.825  -4.914
 1111   2HB   PHE 149          HB3       PHE 149   3.978  -7.601  -5.577
 1112    HD1  PHE 149          HD1       PHE 149   3.434  -7.400  -8.025
 1113    HD2  PHE 149          HD2       PHE 149   7.043  -5.709  -6.375
 1114    HE1  PHE 149          HE1       PHE 149   4.442  -7.315 -10.286
 1115    HE2  PHE 149          HE2       PHE 149   7.956  -5.439  -8.650
 1116    HZ   PHE 149          HZ        PHE 149   6.725  -6.346 -10.598
 1117    H    GLY 150          H         GLY 150   5.990  -4.653  -4.258
 1118   1HA   GLY 150          HA2       GLY 150   7.041  -2.981  -6.252
 1119   2HA   GLY 150          HA3       GLY 150   6.047  -1.933  -5.259
 1120    H    LYS 151          H         LYS 151   8.625  -1.350  -5.244
 1121    HA   LYS 151          HA        LYS 151  10.050  -2.874  -3.123
 1122   1HB   LYS 151          HB2       LYS 151  11.413  -0.747  -4.693
 1123   2HB   LYS 151          HB3       LYS 151  12.017  -2.269  -4.052
 1124   1HG   LYS 151          HG2       LYS 151  10.626  -3.442  -5.867
 1125   2HG   LYS 151          HG3       LYS 151  10.352  -1.838  -6.566
 1126   1HD   LYS 151          HD2       LYS 151  12.854  -1.496  -6.646
 1127   2HD   LYS 151          HD3       LYS 151  13.072  -3.173  -6.151
 1128   1HE   LYS 151          HE2       LYS 151  11.579  -2.216  -8.647
 1129   2HE   LYS 151          HE3       LYS 151  13.233  -2.847  -8.620
 1130   1HZ   LYS 151          HZ2       LYS 151  12.381  -4.923  -7.825
 1131   2HZ   LYS 151          HZ3       LYS 151  10.833  -4.353  -7.845
 1132   3HZ   LYS 151          HZ1       LYS 151  11.671  -4.515  -9.254
 1133    H    ILE 152          H         ILE 152  11.037  -1.712  -1.397
 1134    HA   ILE 152          HA        ILE 152  10.224   1.133  -0.958
 1135    HB   ILE 152          HB        ILE 152  10.559  -1.021   1.160
 1136   1HG1  ILE 152          HG12      ILE 152   8.021   0.000  -0.131
 1137   2HG1  ILE 152          HG13      ILE 152   8.621  -1.676   0.001
 1138   1HG2  ILE 152          HG21      ILE 152  11.021   1.413   1.744
 1139   2HG2  ILE 152          HG22      ILE 152   9.312   1.727   1.372
 1140   3HG2  ILE 152          HG23      ILE 152   9.775   0.634   2.705
 1141   1HD1  ILE 152          HD11      ILE 152   8.407  -1.502   2.481
 1142   2HD1  ILE 152          HD12      ILE 152   7.549   0.045   2.249
 1143   3HD1  ILE 152          HD13      ILE 152   6.872  -1.449   1.584
 1144    H    VAL 153          H         VAL 153  12.207   1.958  -1.720
 1145    HA   VAL 153          HA        VAL 153  14.747   0.882  -0.642
 1146    HB   VAL 153          HB        VAL 153  14.247   3.237  -2.470
 1147   1HG1  VAL 153          HG11      VAL 153  16.758   1.626  -1.752
 1148   2HG1  VAL 153          HG12      VAL 153  16.679   2.822  -3.067
 1149   3HG1  VAL 153          HG13      VAL 153  16.429   3.332  -1.394
 1150   1HG2  VAL 153          HG23      VAL 153  14.944   0.347  -3.202
 1151   2HG2  VAL 153          HG21      VAL 153  13.434   1.193  -3.611
 1152   3HG2  VAL 153          HG22      VAL 153  14.959   1.715  -4.334
 1153    H    VAL 154          H         VAL 154  15.760   1.881   1.066
 1154    HA   VAL 154          HA        VAL 154  14.643   4.460   2.094
 1155    HB   VAL 154          HB        VAL 154  15.489   2.015   3.686
 1156   1HG1  VAL 154          HG12      VAL 154  15.797   4.185   4.853
 1157   2HG1  VAL 154          HG13      VAL 154  14.111   4.620   4.497
 1158   3HG1  VAL 154          HG11      VAL 154  14.479   3.261   5.578
 1159   1HG2  VAL 154          HG22      VAL 154  12.701   3.048   3.032
 1160   2HG2  VAL 154          HG23      VAL 154  13.402   1.478   2.558
 1161   3HG2  VAL 154          HG21      VAL 154  13.099   1.836   4.251
 1162    H    LYS 155          H         LYS 155  16.316   5.958   1.823
 1163    HA   LYS 155          HA        LYS 155  18.984   5.250   2.842
 1164   1HB   LYS 155          HB2       LYS 155  18.673   6.089  -0.061
 1165   2HB   LYS 155          HB3       LYS 155  20.189   5.865   0.842
 1166   1HG   LYS 155          HG2       LYS 155  19.631   3.449   1.133
 1167   2HG   LYS 155          HG3       LYS 155  18.238   3.666   0.064
 1168   1HD   LYS 155          HD2       LYS 155  21.168   4.109  -0.663
 1169   2HD   LYS 155          HD3       LYS 155  20.153   2.737  -1.131
 1170   1HE   LYS 155          HE2       LYS 155  18.627   4.344  -2.350
 1171   2HE   LYS 155          HE3       LYS 155  19.785   5.642  -2.005
 1172   1HZ   LYS 155          HZ1       LYS 155  21.437   4.405  -3.191
 1173   2HZ   LYS 155          HZ2       LYS 155  20.359   3.203  -3.524
 1174   3HZ   LYS 155          HZ3       LYS 155  20.130   4.711  -4.147
   
  No H/Q in entry =        1174
  Start of MODEL    4
    1    H    GLY   1          H         GLY   1  -4.397 -10.219  11.820
    2   1HA   GLY   1          HA2       GLY   1  -3.389 -12.016  13.623
    3   2HA   GLY   1          HA3       GLY   1  -1.983 -11.497  12.661
    4    H    THR   2          H         THR   2  -1.314 -10.522  14.833
    5    HA   THR   2          HA        THR   2  -2.627  -8.458  16.184
    6    HB   THR   2          HB        THR   2  -0.074  -7.914  16.684
    7    HG1  THR   2          HG1       THR   2   1.218  -9.718  16.106
    8   1HG2  THR   2          HG21      THR   2  -1.335 -10.624  17.335
    9   2HG2  THR   2          HG22      THR   2   0.025  -9.878  18.202
   10   3HG2  THR   2          HG23      THR   2  -1.571  -9.114  18.241
   11    H    LEU   3          H         LEU   3  -0.933  -8.404  13.144
   12    HA   LEU   3          HA        LEU   3  -0.311  -5.723  12.687
   13   1HB   LEU   3          HB2       LEU   3  -1.470  -7.937  10.947
   14   2HB   LEU   3          HB3       LEU   3  -1.088  -6.346  10.302
   15    HG   LEU   3          HG        LEU   3   1.245  -6.556  10.779
   16   1HD1  LEU   3          HD13      LEU   3   0.625  -9.277  12.011
   17   2HD1  LEU   3          HD11      LEU   3   2.241  -8.684  11.591
   18   3HD1  LEU   3          HD12      LEU   3   1.316  -7.858  12.844
   19   1HD2  LEU   3          HD23      LEU   3   0.303  -7.550   8.680
   20   2HD2  LEU   3          HD21      LEU   3   1.772  -8.376   9.220
   21   3HD2  LEU   3          HD22      LEU   3   0.183  -9.116   9.500
   22    H    ASP   4          H         ASP   4  -3.490  -7.320  12.703
   23    HA   ASP   4          HA        ASP   4  -5.059  -5.241  11.554
   24   1HB   ASP   4          HB2       ASP   4  -5.880  -7.460  11.633
   25   2HB   ASP   4          HB3       ASP   4  -5.765  -7.502  13.414
   26    HD1  ASP   4          HD        ASP   4  -8.515  -4.839  12.312
   27    H    THR   5          H         THR   5  -4.604  -3.246  12.361
   28    HA   THR   5          HA        THR   5  -5.357  -2.661  15.194
   29    HB   THR   5          HB        THR   5  -3.440  -0.967  15.029
   30    HG1  THR   5          HG1       THR   5  -2.590  -2.706  12.937
   31   1HG2  THR   5          HG23      THR   5  -3.235  -3.046  16.349
   32   2HG2  THR   5          HG21      THR   5  -2.684  -3.909  14.904
   33   3HG2  THR   5          HG22      THR   5  -1.701  -2.597  15.576
   34    H    THR   6          H         THR   6  -4.103  -0.318  12.930
   35    HA   THR   6          HA        THR   6  -6.276   1.416  13.528
   36    HB   THR   6          HB        THR   6  -4.128   1.886  11.428
   37    HG1  THR   6          HG1       THR   6  -2.777   2.420  13.100
   38   1HG2  THR   6          HG21      THR   6  -5.920   3.619  11.876
   39   2HG2  THR   6          HG22      THR   6  -5.433   3.626  13.578
   40   3HG2  THR   6          HG23      THR   6  -4.293   4.184  12.327
   41    H    TRP   7          H         TRP   7  -7.801  -0.335  12.424
   42    HA   TRP   7          HA        TRP   7  -8.231   0.091   9.517
   43   1HB   TRP   7          HB2       TRP   7  -9.475  -1.645  11.683
   44   2HB   TRP   7          HB3       TRP   7 -10.251  -1.396  10.136
   45    HD1  TRP   7          HD1       TRP   7 -10.259  -3.795   9.546
   46    HE1  TRP   7          HE1       TRP   7  -8.512  -5.460   8.583
   47    HE3  TRP   7          HE3       TRP   7  -5.925  -1.306  10.750
   48    HZ2  TRP   7          HZ2       TRP   7  -5.694  -5.712   8.531
   49    HZ3  TRP   7          HZ3       TRP   7  -3.766  -2.345  10.377
   50    HH2  TRP   7          HH2       TRP   7  -3.645  -4.596   9.376
   51    H    LYS   8          H         LYS   8  -9.754   1.603   8.749
   52    HA   LYS   8          HA        LYS   8 -12.012   2.427  10.454
   53   1HB   LYS   8          HB2       LYS   8  -9.907   4.306   9.335
   54   2HB   LYS   8          HB3       LYS   8 -11.450   4.866   9.991
   55   1HG   LYS   8          HG2       LYS   8  -9.243   3.509  11.598
   56   2HG   LYS   8          HG3       LYS   8  -9.541   5.242  11.472
   57   1HD   LYS   8          HD2       LYS   8 -11.795   4.974  12.469
   58   2HD   LYS   8          HD3       LYS   8 -11.552   3.224  12.572
   59   1HE   LYS   8          HE2       LYS   8 -11.136   4.218  14.744
   60   2HE   LYS   8          HE3       LYS   8  -9.635   3.543  14.094
   61   1HZ   LYS   8          HZ2       LYS   8 -10.412   6.380  14.015
   62   2HZ   LYS   8          HZ3       LYS   8  -9.332   5.711  15.062
   63   3HZ   LYS   8          HZ1       LYS   8  -8.995   5.756  13.451
   64    H    GLU   9          H         GLU   9 -13.311   4.148   8.977
   65    HA   GLU   9          HA        GLU   9 -12.770   3.701   6.166
   66   1HB   GLU   9          HB2       GLU   9 -15.663   3.434   6.974
   67   2HB   GLU   9          HB3       GLU   9 -14.868   3.077   5.435
   68   1HG   GLU   9          HG2       GLU   9 -13.653   1.152   6.723
   69   2HG   GLU   9          HG3       GLU   9 -14.765   1.482   8.053
   70    HE1  GLU   9          HE        GLU   9 -17.518   0.483   5.863
   71    H    ALA  10          H         ALA  10 -13.662   5.253   4.858
   72    HA   ALA  10          HA        ALA  10 -14.722   7.753   6.074
   73   1HB   ALA  10          HB2       ALA  10 -12.244   7.854   5.394
   74   2HB   ALA  10          HB3       ALA  10 -12.771   7.548   3.724
   75   3HB   ALA  10          HB1       ALA  10 -13.307   9.008   4.615
   76    H    THR  11          H         THR  11 -15.020   8.825   3.267
   77    HA   THR  11          HA        THR  11 -16.701   6.807   1.950
   78    HB   THR  11          HB        THR  11 -18.533   8.381   1.669
   79    HG1  THR  11          HG1       THR  11 -18.448  10.341   2.951
   80   1HG2  THR  11          HG23      THR  11 -18.627   6.905   3.672
   81   2HG2  THR  11          HG21      THR  11 -17.889   8.198   4.641
   82   3HG2  THR  11          HG22      THR  11 -19.477   8.438   3.900
   83    H    LEU  12          H         LEU  12 -17.305   7.582  -0.286
   84    HA   LEU  12          HA        LEU  12 -15.172   7.856  -1.811
   85   1HB   LEU  12          HB2       LEU  12 -17.372   7.389  -2.637
   86   2HB   LEU  12          HB3       LEU  12 -17.859   9.060  -2.546
   87    HG   LEU  12          HG        LEU  12 -15.367   8.480  -4.123
   88   1HD1  LEU  12          HD12      LEU  12 -18.167   7.780  -5.110
   89   2HD1  LEU  12          HD13      LEU  12 -16.692   7.815  -6.101
   90   3HD1  LEU  12          HD11      LEU  12 -16.848   6.629  -4.797
   91   1HD2  LEU  12          HD22      LEU  12 -17.806  10.274  -4.564
   92   2HD2  LEU  12          HD23      LEU  12 -16.205  10.805  -4.008
   93   3HD2  LEU  12          HD21      LEU  12 -16.413  10.168  -5.645
   94    HA   PRO  13          HA        PRO  13 -15.037  12.621  -2.294
   95   1HB   PRO  13          HB2       PRO  13 -16.080  13.517   0.394
   96   2HB   PRO  13          HB3       PRO  13 -16.228  14.332  -1.188
   97   1HG   PRO  13          HG2       PRO  13 -18.351  13.003  -0.146
   98   2HG   PRO  13          HG3       PRO  13 -17.948  12.798  -1.879
   99   1HD   PRO  13          HD2       PRO  13 -17.156  11.005   0.433
  100   2HD   PRO  13          HD3       PRO  13 -17.967  10.551  -1.081
  101    H    GLN  14          H         GLN  14 -14.635  10.985   0.845
  102    HA   GLN  14          HA        GLN  14 -12.421  12.600   1.728
  103   1HB   GLN  14          HB2       GLN  14 -13.164   9.815   2.605
  104   2HB   GLN  14          HB3       GLN  14 -12.183  10.996   3.483
  105   1HG   GLN  14          HG2       GLN  14 -15.175  11.175   2.903
  106   2HG   GLN  14          HG3       GLN  14 -14.399  11.043   4.481
  107   1HE2  GLN  14          HE21      GLN  14 -13.272  14.522   4.415
  108   2HE2  GLN  14          HE22      GLN  14 -12.628  12.936   4.805
  109    H    VAL  15          H         VAL  15 -12.767   9.901  -0.515
  110    HA   VAL  15          HA        VAL  15  -9.989   9.065  -0.367
  111    HB   VAL  15          HB        VAL  15 -11.842   8.930  -2.774
  112   1HG1  VAL  15          HG11      VAL  15  -9.334   7.391  -2.003
  113   2HG1  VAL  15          HG12      VAL  15 -10.395   6.991  -3.371
  114   3HG1  VAL  15          HG13      VAL  15  -9.516   8.525  -3.352
  115   1HG2  VAL  15          HG21      VAL  15 -11.453   6.909  -0.526
  116   2HG2  VAL  15          HG22      VAL  15 -12.938   7.820  -0.844
  117   3HG2  VAL  15          HG23      VAL  15 -12.365   6.656  -2.035
  118    H    LYS  16          H         LYS  16 -11.836  11.391  -2.366
  119    HA   LYS  16          HA        LYS  16  -9.597  12.457  -3.812
  120   1HB   LYS  16          HB2       LYS  16 -12.294  13.693  -3.125
  121   2HB   LYS  16          HB3       LYS  16 -11.095  14.403  -4.210
  122   1HG   LYS  16          HG2       LYS  16 -11.200  12.445  -5.685
  123   2HG   LYS  16          HG3       LYS  16 -12.361  11.655  -4.598
  124   1HD   LYS  16          HD2       LYS  16 -14.024  13.393  -5.005
  125   2HD   LYS  16          HD3       LYS  16 -12.856  14.372  -5.904
  126   1HE   LYS  16          HE2       LYS  16 -14.399  13.197  -7.428
  127   2HE   LYS  16          HE3       LYS  16 -12.719  12.700  -7.687
  128   1HZ   LYS  16          HZ1       LYS  16 -14.704  11.211  -6.118
  129   2HZ   LYS  16          HZ2       LYS  16 -14.238  10.851  -7.657
  130   3HZ   LYS  16          HZ3       LYS  16 -13.157  10.734  -6.420
  131    H    ALA  17          H         ALA  17 -11.126  13.346  -0.683
  132    HA   ALA  17          HA        ALA  17  -9.482  15.563  -0.098
  133   1HB   ALA  17          HB2       ALA  17 -11.442  14.830   1.254
  134   2HB   ALA  17          HB3       ALA  17 -10.426  13.557   1.972
  135   3HB   ALA  17          HB1       ALA  17  -9.998  15.257   2.191
  136    H    MET  18          H         MET  18  -8.900  12.158   0.975
  137    HA   MET  18          HA        MET  18  -6.355  12.597   2.066
  138   1HB   MET  18          HB2       MET  18  -7.658  10.130   0.933
  139   2HB   MET  18          HB3       MET  18  -6.050  10.102   1.675
  140   1HG   MET  18          HG2       MET  18  -6.905  11.083   3.747
  141   2HG   MET  18          HG3       MET  18  -8.544  11.134   3.091
  142   1HE   MET  18          HE1       MET  18  -8.838   8.400   1.639
  143   2HE   MET  18          HE2       MET  18  -9.520   7.391   2.940
  144   3HE   MET  18          HE3       MET  18 -10.052   9.082   2.746
  145    H    LEU  19          H         LEU  19  -7.193  11.653  -1.310
  146    HA   LEU  19          HA        LEU  19  -4.544  11.380  -2.244
  147   1HB   LEU  19          HB2       LEU  19  -7.104  12.264  -3.597
  148   2HB   LEU  19          HB3       LEU  19  -5.592  12.134  -4.496
  149    HG   LEU  19          HG        LEU  19  -6.692   9.792  -2.894
  150   1HD1  LEU  19          HD13      LEU  19  -7.138  10.463  -5.836
  151   2HD1  LEU  19          HD11      LEU  19  -7.593   8.943  -5.037
  152   3HD1  LEU  19          HD12      LEU  19  -8.379  10.460  -4.566
  153   1HD2  LEU  19          HD23      LEU  19  -4.729   9.967  -5.235
  154   2HD2  LEU  19          HD21      LEU  19  -4.280   9.635  -3.553
  155   3HD2  LEU  19          HD22      LEU  19  -5.271   8.477  -4.442
  156    H    GLU  20          H         GLU  20  -6.308  14.411  -1.532
  157    HA   GLU  20          HA        GLU  20  -4.416  16.054  -2.988
  158   1HB   GLU  20          HB2       GLU  20  -6.388  16.722  -0.784
  159   2HB   GLU  20          HB3       GLU  20  -5.380  17.911  -1.609
  160   1HG   GLU  20          HG2       GLU  20  -6.374  17.533  -3.721
  161   2HG   GLU  20          HG3       GLU  20  -7.111  16.009  -3.233
  162    HE2  GLU  20          HE        GLU  20  -8.948  16.038  -2.205
  163    H    LYS  21          H         LYS  21  -4.045  14.228  -0.068
  164    HA   LYS  21          HA        LYS  21  -1.678  15.896   0.705
  165   1HB   LYS  21          HB2       LYS  21  -3.339  13.877   2.254
  166   2HB   LYS  21          HB3       LYS  21  -1.707  14.320   2.718
  167   1HG   LYS  21          HG2       LYS  21  -3.075  15.669   4.029
  168   2HG   LYS  21          HG3       LYS  21  -2.269  16.689   2.851
  169   1HD   LYS  21          HD2       LYS  21  -4.584  17.397   3.187
  170   2HD   LYS  21          HD3       LYS  21  -4.328  16.880   1.525
  171   1HE   LYS  21          HE2       LYS  21  -6.478  16.067   2.405
  172   2HE   LYS  21          HE3       LYS  21  -5.407  14.723   1.994
  173   1HZ   LYS  21          HZ3       LYS  21  -5.837  15.789   4.698
  174   2HZ   LYS  21          HZ1       LYS  21  -6.501  14.407   4.092
  175   3HZ   LYS  21          HZ2       LYS  21  -4.871  14.510   4.306
  176    H    ASP  22          H         ASP  22  -2.131  13.855  -1.665
  177    HA   ASP  22          HA        ASP  22  -0.197  11.792  -1.054
  178   1HB   ASP  22          HB2       ASP  22  -0.259  11.156  -3.236
  179   2HB   ASP  22          HB3       ASP  22  -1.890  11.772  -3.034
  180    HD1  ASP  22          HD        ASP  22  -2.212  13.934  -3.931
  181    H    THR  23          H         THR  23   2.041  11.700  -1.794
  182    HA   THR  23          HA        THR  23   3.392  14.263  -2.407
  183    HB   THR  23          HB        THR  23   4.891  13.398  -0.348
  184    HG1  THR  23          HG1       THR  23   3.498  12.521   1.261
  185   1HG2  THR  23          HG22      THR  23   3.811  15.628  -0.389
  186   2HG2  THR  23          HG23      THR  23   2.309  14.890   0.221
  187   3HG2  THR  23          HG21      THR  23   3.782  14.848   1.209
  188    H    GLY  24          H         GLY  24   5.705  13.902  -2.786
  189   1HA   GLY  24          HA2       GLY  24   7.544  12.265  -2.977
  190   2HA   GLY  24          HA3       GLY  24   6.404  11.133  -3.662
  191    H    LYS  25          H         LYS  25   8.935  12.619  -4.617
  192    HA   LYS  25          HA        LYS  25   8.080  14.192  -6.912
  193   1HB   LYS  25          HB2       LYS  25  10.825  13.030  -6.297
  194   2HB   LYS  25          HB3       LYS  25  10.440  14.370  -7.377
  195   1HG   LYS  25          HG2       LYS  25  10.241  14.332  -4.329
  196   2HG   LYS  25          HG3       LYS  25  11.418  15.190  -5.317
  197   1HD   LYS  25          HD2       LYS  25   9.550  16.537  -6.337
  198   2HD   LYS  25          HD3       LYS  25   8.416  15.767  -5.212
  199   1HE   LYS  25          HE2       LYS  25  10.833  17.472  -4.441
  200   2HE   LYS  25          HE3       LYS  25   9.132  17.963  -4.383
  201   1HZ   LYS  25          HZ1       LYS  25   8.776  16.178  -2.788
  202   2HZ   LYS  25          HZ2       LYS  25  10.397  15.857  -2.765
  203   3HZ   LYS  25          HZ3       LYS  25   9.839  17.317  -2.252
  204    H    VAL  26          H         VAL  26   7.595  13.390  -8.852
  205    HA   VAL  26          HA        VAL  26   7.363  10.586  -9.357
  206    HB   VAL  26          HB        VAL  26   7.061  12.978 -11.215
  207   1HG1  VAL  26          HG12      VAL  26   6.028  10.127 -11.435
  208   2HG1  VAL  26          HG13      VAL  26   5.575  11.459 -12.512
  209   3HG1  VAL  26          HG11      VAL  26   7.240  10.867 -12.496
  210   1HG2  VAL  26          HG23      VAL  26   5.066  11.527  -9.431
  211   2HG2  VAL  26          HG21      VAL  26   5.547  13.229  -9.319
  212   3HG2  VAL  26          HG22      VAL  26   4.613  12.675 -10.708
  213    H    SER  27          H         SER  27   9.415   9.712  -9.154
  214    HA   SER  27          HA        SER  27  11.688  10.738 -10.725
  215   1HB   SER  27          HB2       SER  27  11.531   8.428  -8.755
  216   2HB   SER  27          HB3       SER  27  12.982   9.249  -9.347
  217    HG   SER  27          HG        SER  27  10.868  10.586  -7.947
  218    H    GLY  28          H         GLY  28  10.211  10.204 -12.621
  219   1HA   GLY  28          HA2       GLY  28   9.910   8.959 -14.541
  220   2HA   GLY  28          HA3       GLY  28  11.178   7.847 -13.997
  221    H    ASP  29          H         ASP  29  10.548   5.882 -13.111
  222    HA   ASP  29          HA        ASP  29   7.661   5.204 -13.079
  223   1HB   ASP  29          HB2       ASP  29   8.333   2.952 -13.026
  224   2HB   ASP  29          HB3       ASP  29   9.431   3.711 -14.188
  225    HD2  ASP  29          HD        ASP  29  10.947   1.683 -11.243
  226    H    THR  30          H         THR  30  10.230   6.094 -10.927
  227    HA   THR  30          HA        THR  30   9.091   4.663  -8.591
  228    HB   THR  30          HB        THR  30  11.762   6.035  -9.172
  229    HG1  THR  30          HG1       THR  30  11.565   4.163 -10.275
  230   1HG2  THR  30          HG21      THR  30  11.083   4.438  -6.714
  231   2HG2  THR  30          HG22      THR  30  12.659   5.037  -7.225
  232   3HG2  THR  30          HG23      THR  30  11.379   6.189  -6.774
  233    H    VAL  31          H         VAL  31   8.765   5.942  -6.606
  234    HA   VAL  31          HA        VAL  31   8.304   8.872  -7.070
  235    HB   VAL  31          HB        VAL  31   6.709   6.868  -5.441
  236   1HG1  VAL  31          HG11      VAL  31   6.482   9.898  -5.553
  237   2HG1  VAL  31          HG12      VAL  31   5.304   8.817  -4.779
  238   3HG1  VAL  31          HG13      VAL  31   6.944   8.932  -4.120
  239   1HG2  VAL  31          HG21      VAL  31   5.963   8.757  -7.737
  240   2HG2  VAL  31          HG22      VAL  31   6.100   6.990  -7.841
  241   3HG2  VAL  31          HG23      VAL  31   4.828   7.725  -6.848
  242    H    THR  32          H         THR  32   9.412  10.227  -5.589
  243    HA   THR  32          HA        THR  32  11.093   8.788  -3.550
  244    HB   THR  32          HB        THR  32  11.844  11.056  -5.426
  245    HG1  THR  32          HG1       THR  32  12.304   9.427  -6.598
  246   1HG2  THR  32          HG22      THR  32  13.403   9.784  -3.138
  247   2HG2  THR  32          HG23      THR  32  14.149  10.695  -4.466
  248   3HG2  THR  32          HG21      THR  32  13.004  11.492  -3.383
  249    H    TYR  33          H         TYR  33  10.781   9.458  -1.502
  250    HA   TYR  33          HA        TYR  33   9.147  11.862  -1.115
  251   1HB   TYR  33          HB2       TYR  33   9.348   9.506   0.271
  252   2HB   TYR  33          HB3       TYR  33  10.312  10.569   1.283
  253    HD1  TYR  33          HD2       TYR  33   6.982   9.865  -0.145
  254    HD2  TYR  33          HD1       TYR  33   9.194  12.444   2.506
  255    HE1  TYR  33          HE2       TYR  33   4.884  10.704   0.833
  256    HE2  TYR  33          HE1       TYR  33   7.108  13.546   3.193
  257    HH   TYR  33          HH        TYR  33   4.902  13.026   3.504
  258    H    SER  34          H         SER  34   9.888  13.282   0.863
  259    HA   SER  34          HA        SER  34  12.712  14.043   0.828
  260   1HB   SER  34          HB2       SER  34  10.697  16.015  -0.324
  261   2HB   SER  34          HB3       SER  34  12.454  16.174  -0.239
  262    HG   SER  34          HG        SER  34  12.246  14.060  -1.602
  263    H    GLY  35          H         GLY  35  11.274  13.227   3.029
  264   1HA   GLY  35          HA2       GLY  35  11.464  15.355   4.847
  265   2HA   GLY  35          HA3       GLY  35   9.758  15.221   4.350
  266    H    LYS  36          H         LYS  36  10.307  14.689   6.969
  267    HA   LYS  36          HA        LYS  36  10.868  11.855   7.391
  268   1HB   LYS  36          HB2       LYS  36  10.182  14.170   9.223
  269   2HB   LYS  36          HB3       LYS  36  10.206  12.500   9.783
  270   1HG   LYS  36          HG2       LYS  36  12.272  13.507  10.326
  271   2HG   LYS  36          HG3       LYS  36  12.514  12.191   9.174
  272   1HD   LYS  36          HD2       LYS  36  12.820  13.795   7.337
  273   2HD   LYS  36          HD3       LYS  36  12.488  15.161   8.425
  274   1HE   LYS  36          HE2       LYS  36  14.753  13.139   8.762
  275   2HE   LYS  36          HE3       LYS  36  14.933  14.715   7.968
  276   1HZ   LYS  36          HZ2       LYS  36  14.286  15.758  10.021
  277   2HZ   LYS  36          HZ3       LYS  36  14.163  14.292  10.768
  278   3HZ   LYS  36          HZ1       LYS  36  15.623  14.819  10.224
  279    H    THR  37          H         THR  37   7.906  13.919   7.247
  280    HA   THR  37          HA        THR  37   6.210  11.702   8.157
  281    HB   THR  37          HB        THR  37   4.439  13.451   7.481
  282    HG1  THR  37          HG1       THR  37   5.797  14.667   6.127
  283   1HG2  THR  37          HG23      THR  37   5.248  12.963   9.756
  284   2HG2  THR  37          HG21      THR  37   6.589  14.103   9.544
  285   3HG2  THR  37          HG22      THR  37   4.911  14.705   9.559
  286    H    VAL  38          H         VAL  38   6.732  10.137   6.733
  287    HA   VAL  38          HA        VAL  38   6.457  10.595   3.811
  288    HB   VAL  38          HB        VAL  38   7.545   8.291   5.409
  289   1HG1  VAL  38          HG13      VAL  38   7.173   8.541   2.385
  290   2HG1  VAL  38          HG11      VAL  38   8.260   7.378   3.165
  291   3HG1  VAL  38          HG12      VAL  38   6.521   7.264   3.428
  292   1HG2  VAL  38          HG23      VAL  38   8.908  10.397   5.136
  293   2HG2  VAL  38          HG21      VAL  38   9.641   8.918   4.488
  294   3HG2  VAL  38          HG22      VAL  38   8.921  10.098   3.398
  295    H    HIS  39          H         HIS  39   4.296  11.092   3.714
  296    HA   HIS  39          HA        HIS  39   2.269   9.216   4.679
  297   1HB   HIS  39          HB2       HIS  39   2.009  11.672   4.874
  298   2HB   HIS  39          HB3       HIS  39   2.072  11.824   3.111
  299    HD1  HIS  39          HD1       HIS  39  -0.347  12.304   2.321
  300    HD2  HIS  39          HD2       HIS  39  -0.030   9.397   5.373
  301    HE1  HIS  39          HE1       HIS  39  -2.721  11.418   2.753
  302    HE2  HIS  39          HE2       HIS  39  -2.483   9.587   4.569
  303    H    VAL  40          H         VAL  40   2.056   7.361   3.435
  304    HA   VAL  40          HA        VAL  40   2.258   7.618   0.448
  305    HB   VAL  40          HB        VAL  40   2.493   5.173   2.226
  306   1HG1  VAL  40          HG13      VAL  40   2.809   5.520  -0.789
  307   2HG1  VAL  40          HG11      VAL  40   3.219   4.057   0.128
  308   3HG1  VAL  40          HG12      VAL  40   1.537   4.587   0.028
  309   1HG2  VAL  40          HG21      VAL  40   4.574   6.762   0.667
  310   2HG2  VAL  40          HG22      VAL  40   4.441   6.649   2.434
  311   3HG2  VAL  40          HG23      VAL  40   4.858   5.213   1.491
  312    H    VAL  41          H         VAL  41   0.255   8.188  -0.281
  313    HA   VAL  41          HA        VAL  41  -2.177   6.959   0.810
  314    HB   VAL  41          HB        VAL  41  -1.848   8.775  -1.605
  315   1HG1  VAL  41          HG11      VAL  41  -4.273   8.000   0.106
  316   2HG1  VAL  41          HG12      VAL  41  -4.270   9.253  -1.140
  317   3HG1  VAL  41          HG13      VAL  41  -4.004   7.559  -1.594
  318   1HG2  VAL  41          HG22      VAL  41  -2.551   9.433   1.278
  319   2HG2  VAL  41          HG23      VAL  41  -1.046   9.914   0.461
  320   3HG2  VAL  41          HG21      VAL  41  -2.591  10.578  -0.078
  321    H    ALA  42          H         ALA  42  -2.653   4.892   0.258
  322    HA   ALA  42          HA        ALA  42  -1.948   3.862  -2.460
  323   1HB   ALA  42          HB2       ALA  42  -1.702   2.432   0.216
  324   2HB   ALA  42          HB3       ALA  42  -1.424   1.708  -1.384
  325   3HB   ALA  42          HB1       ALA  42  -0.355   2.997  -0.794
  326    H    ALA  43          H         ALA  43  -3.334   2.087  -3.190
  327    HA   ALA  43          HA        ALA  43  -5.843   1.643  -1.743
  328   1HB   ALA  43          HB2       ALA  43  -5.670   2.835  -4.556
  329   2HB   ALA  43          HB3       ALA  43  -7.160   2.268  -3.778
  330   3HB   ALA  43          HB1       ALA  43  -6.293   3.665  -3.114
  331    H    ALA  44          H         ALA  44  -7.164  -0.019  -2.901
  332    HA   ALA  44          HA        ALA  44  -5.462  -1.984  -4.388
  333   1HB   ALA  44          HB3       ALA  44  -5.597  -2.627  -1.985
  334   2HB   ALA  44          HB1       ALA  44  -7.376  -2.637  -2.129
  335   3HB   ALA  44          HB2       ALA  44  -6.411  -3.775  -3.064
  336    H    VAL  45          H         VAL  45  -6.379  -2.332  -6.259
  337    HA   VAL  45          HA        VAL  45  -7.899  -2.250  -7.955
  338    HB   VAL  45          HB        VAL  45  -8.999  -4.533  -6.284
  339   1HG1  VAL  45          HG13      VAL  45 -10.148  -4.087  -8.523
  340   2HG1  VAL  45          HG11      VAL  45  -8.563  -4.259  -9.292
  341   3HG1  VAL  45          HG12      VAL  45  -9.300  -5.631  -8.450
  342   1HG2  VAL  45          HG23      VAL  45  -6.501  -4.471  -7.996
  343   2HG2  VAL  45          HG21      VAL  45  -6.546  -4.661  -6.232
  344   3HG2  VAL  45          HG22      VAL  45  -7.236  -5.915  -7.256
  345    H    LEU  46          H         LEU  46  -8.851  -0.059  -7.059
  346    HA   LEU  46          HA        LEU  46 -11.521  -0.324  -5.951
  347   1HB   LEU  46          HB2       LEU  46 -10.146   2.070  -7.235
  348   2HB   LEU  46          HB3       LEU  46 -11.684   2.119  -6.385
  349    HG   LEU  46          HG        LEU  46  -8.999   1.355  -5.144
  350   1HD1  LEU  46          HD11      LEU  46 -10.729   3.857  -4.887
  351   2HD1  LEU  46          HD12      LEU  46  -9.248   3.527  -3.970
  352   3HD1  LEU  46          HD13      LEU  46  -9.166   3.743  -5.726
  353   1HD2  LEU  46          HD22      LEU  46 -11.801   1.599  -3.979
  354   2HD2  LEU  46          HD23      LEU  46 -10.726   0.183  -3.947
  355   3HD2  LEU  46          HD21      LEU  46 -10.326   1.616  -2.992
  356    HA   PRO  47          HA        PRO  47 -13.981  -1.333  -9.416
  357   1HB   PRO  47          HB2       PRO  47 -15.447   1.252  -8.789
  358   2HB   PRO  47          HB3       PRO  47 -16.140  -0.313  -9.309
  359   1HG   PRO  47          HG2       PRO  47 -16.066   0.305  -6.673
  360   2HG   PRO  47          HG3       PRO  47 -15.553  -1.327  -7.206
  361   1HD   PRO  47          HD2       PRO  47 -13.829   1.010  -6.406
  362   2HD   PRO  47          HD3       PRO  47 -13.629  -0.740  -6.087
  363    H    GLY  48          H         GLY  48 -12.753  -1.205 -11.243
  364   1HA   GLY  48          HA2       GLY  48 -12.957   0.109 -13.460
  365   2HA   GLY  48          HA3       GLY  48 -12.219   1.429 -12.537
  366    H    PHE  49          H         PHE  49 -10.440   0.008 -10.883
  367    HA   PHE  49          HA        PHE  49  -8.324  -0.393 -12.842
  368   1HB   PHE  49          HB2       PHE  49  -8.306  -0.581  -9.819
  369   2HB   PHE  49          HB3       PHE  49  -6.874  -0.642 -10.842
  370    HD1  PHE  49          HD1       PHE  49  -6.535   1.367 -12.515
  371    HD2  PHE  49          HD2       PHE  49  -9.174   1.526  -9.132
  372    HE1  PHE  49          HE1       PHE  49  -6.581   3.852 -12.659
  373    HE2  PHE  49          HE2       PHE  49  -9.153   4.004  -9.217
  374    HZ   PHE  49          HZ        PHE  49  -7.855   5.170 -10.988
  375    HA   PRO  50          HA        PRO  50  -8.914  -4.753 -13.014
  376   1HB   PRO  50          HB2       PRO  50  -6.638  -5.619 -14.235
  377   2HB   PRO  50          HB3       PRO  50  -7.805  -4.538 -15.055
  378   1HG   PRO  50          HG2       PRO  50  -5.273  -3.734 -13.587
  379   2HG   PRO  50          HG3       PRO  50  -5.764  -3.271 -15.244
  380   1HD   PRO  50          HD2       PRO  50  -6.247  -1.648 -13.109
  381   2HD   PRO  50          HD3       PRO  50  -7.446  -1.815 -14.429
  382    H    PHE  51          H         PHE  51  -8.350  -6.753 -12.048
  383    HA   PHE  51          HA        PHE  51  -6.966  -6.567  -9.566
  384   1HB   PHE  51          HB2       PHE  51  -8.170  -8.818 -11.170
  385   2HB   PHE  51          HB3       PHE  51  -6.988  -9.242  -9.958
  386    HD1  PHE  51          HD1       PHE  51 -10.375  -7.804 -10.431
  387    HD2  PHE  51          HD2       PHE  51  -7.373  -9.065  -7.594
  388    HE1  PHE  51          HE1       PHE  51 -12.070  -7.806  -8.621
  389    HE2  PHE  51          HE2       PHE  51  -9.087  -9.076  -5.798
  390    HZ   PHE  51          HZ        PHE  51 -11.403  -8.426  -6.293
  391    HA   PRO  52          HA        PRO  52  -5.624  -7.269  -8.182
  392   1HB   PRO  52          HB2       PRO  52  -3.701  -8.464  -6.996
  393   2HB   PRO  52          HB3       PRO  52  -4.583  -9.420  -8.195
  394   1HG   PRO  52          HG2       PRO  52  -1.939  -7.978  -8.684
  395   2HG   PRO  52          HG3       PRO  52  -2.330  -9.677  -9.002
  396   1HD   PRO  52          HD2       PRO  52  -2.606  -7.593 -10.868
  397   2HD   PRO  52          HD3       PRO  52  -3.494  -9.137 -10.942
  398    H    SER  53          H         SER  53  -4.853  -4.925  -9.722
  399    HA   SER  53          HA        SER  53  -2.219  -4.122  -8.961
  400   1HB   SER  53          HB2       SER  53  -2.824  -1.988 -10.116
  401   2HB   SER  53          HB3       SER  53  -3.224  -3.428 -11.062
  402    HG   SER  53          HG        SER  53  -5.383  -3.145 -10.491
  403    H    PHE  54          H         PHE  54  -1.388  -3.123  -7.207
  404    HA   PHE  54          HA        PHE  54  -3.111  -1.770  -5.230
  405   1HB   PHE  54          HB2       PHE  54  -0.083  -2.035  -5.600
  406   2HB   PHE  54          HB3       PHE  54  -0.797  -0.968  -4.420
  407    HD1  PHE  54          HD1       PHE  54  -2.780  -2.120  -2.953
  408    HD2  PHE  54          HD2       PHE  54   0.882  -3.867  -4.426
  409    HE1  PHE  54          HE1       PHE  54  -2.665  -3.597  -0.953
  410    HE2  PHE  54          HE2       PHE  54   1.059  -5.214  -2.355
  411    HZ   PHE  54          HZ        PHE  54  -0.726  -5.043  -0.605
  412    H    GLU  55          H         GLU  55  -3.881   0.316  -5.862
  413    HA   GLU  55          HA        GLU  55  -2.262   1.770  -7.888
  414   1HB   GLU  55          HB2       GLU  55  -4.782   2.960  -6.855
  415   2HB   GLU  55          HB3       GLU  55  -3.900   3.048  -8.400
  416   1HG   GLU  55          HG2       GLU  55  -5.787   1.889  -8.991
  417   2HG   GLU  55          HG3       GLU  55  -4.608   0.593  -8.798
  418    HE1  GLU  55          HE        GLU  55  -5.053  -0.847  -6.941
  419    H    VAL  56          H         VAL  56  -1.059   3.674  -7.301
  420    HA   VAL  56          HA        VAL  56  -1.117   4.456  -4.420
  421    HB   VAL  56          HB        VAL  56   1.362   3.642  -5.938
  422   1HG1  VAL  56          HG13      VAL  56   0.988   4.649  -3.082
  423   2HG1  VAL  56          HG11      VAL  56   2.493   3.964  -3.727
  424   3HG1  VAL  56          HG12      VAL  56   1.871   5.473  -4.388
  425   1HG2  VAL  56          HG21      VAL  56  -0.128   2.320  -3.625
  426   2HG2  VAL  56          HG22      VAL  56   0.170   1.630  -5.237
  427   3HG2  VAL  56          HG23      VAL  56   1.512   1.873  -4.116
  428    H    HIS  57          H         HIS  57  -2.178   6.250  -5.028
  429    HA   HIS  57          HA        HIS  57  -2.642   8.221  -5.999
  430   1HB   HIS  57          HB2       HIS  57  -0.940  10.003  -5.454
  431   2HB   HIS  57          HB3       HIS  57  -1.615   9.053  -4.131
  432    HD1  HIS  57          HD1       HIS  57   0.091   7.144  -3.067
  433    HD2  HIS  57          HD2       HIS  57   1.569  10.416  -5.270
  434    HE1  HIS  57          HE1       HIS  57   2.477   7.597  -2.217
  435    HE2  HIS  57          HE2       HIS  57   3.336   9.622  -3.545
  436    H    ASP  58          H         ASP  58   0.718   8.787  -6.862
  437    HA   ASP  58          HA        ASP  58  -0.136   9.757  -9.450
  438   1HB   ASP  58          HB2       ASP  58   1.719  10.811  -8.257
  439   2HB   ASP  58          HB3       ASP  58   2.639   9.289  -8.286
  440    HD1  ASP  58          HD        ASP  58   2.176  11.326 -11.737
  441    H    LYS  59          H         LYS  59   0.979   6.659  -8.257
  442    HA   LYS  59          HA        LYS  59   1.330   5.612 -11.046
  443   1HB   LYS  59          HB2       LYS  59   2.906   4.967  -8.533
  444   2HB   LYS  59          HB3       LYS  59   3.180   4.241 -10.128
  445   1HG   LYS  59          HG2       LYS  59   3.707   7.135  -9.372
  446   2HG   LYS  59          HG3       LYS  59   4.885   5.842  -9.630
  447   1HD   LYS  59          HD2       LYS  59   3.890   5.615 -12.017
  448   2HD   LYS  59          HD3       LYS  59   3.108   7.181 -11.694
  449   1HE   LYS  59          HE2       LYS  59   5.444   8.024 -11.009
  450   2HE   LYS  59          HE3       LYS  59   6.081   6.523 -11.683
  451   1HZ   LYS  59          HZ3       LYS  59   4.997   7.134 -13.772
  452   2HZ   LYS  59          HZ1       LYS  59   4.583   8.596 -13.121
  453   3HZ   LYS  59          HZ2       LYS  59   6.177   8.179 -13.299
  454    H    LYS  60          H         LYS  60   1.674   3.046 -10.575
  455    HA   LYS  60          HA        LYS  60  -0.289   2.011  -8.645
  456   1HB   LYS  60          HB2       LYS  60  -0.069   1.099 -11.541
  457   2HB   LYS  60          HB3       LYS  60  -1.201   0.487 -10.321
  458   1HG   LYS  60          HG2       LYS  60  -2.351   2.688 -10.295
  459   2HG   LYS  60          HG3       LYS  60  -1.208   3.301 -11.504
  460   1HD   LYS  60          HD2       LYS  60  -1.901   1.513 -13.085
  461   2HD   LYS  60          HD3       LYS  60  -3.123   0.966 -11.915
  462   1HE   LYS  60          HE2       LYS  60  -4.241   3.151 -12.018
  463   2HE   LYS  60          HE3       LYS  60  -2.977   3.792 -13.082
  464   1HZ   LYS  60          HZ3       LYS  60  -4.763   1.567 -13.761
  465   2HZ   LYS  60          HZ1       LYS  60  -4.904   3.118 -14.305
  466   3HZ   LYS  60          HZ2       LYS  60  -3.598   2.210 -14.731
  467    H    ASN  61          H         ASN  61   0.654   0.436  -7.535
  468    HA   ASN  61          HA        ASN  61   2.315  -0.867  -6.692
  469   1HB   ASN  61          HB2       ASN  61   2.417  -1.804  -9.575
  470   2HB   ASN  61          HB3       ASN  61   2.898  -2.740  -8.188
  471   1HD2  ASN  61          HD22      ASN  61  -1.114  -2.284  -9.038
  472   2HD2  ASN  61          HD21      ASN  61  -0.023  -1.063  -9.619
  473    HA   PRO  62          HA        PRO  62   5.742   1.621  -8.902
  474   1HB   PRO  62          HB2       PRO  62   6.076   3.862  -7.372
  475   2HB   PRO  62          HB3       PRO  62   4.759   3.687  -8.544
  476   1HG   PRO  62          HG2       PRO  62   4.658   3.027  -5.563
  477   2HG   PRO  62          HG3       PRO  62   3.630   4.212  -6.420
  478   1HD   PRO  62          HD2       PRO  62   2.751   1.674  -6.086
  479   2HD   PRO  62          HD3       PRO  62   2.574   2.515  -7.649
  480    H    THR  63          H         THR  63   7.732   2.637  -7.883
  481    HA   THR  63          HA        THR  63   8.797   0.942  -5.696
  482    HB   THR  63          HB        THR  63  10.185   2.439  -7.965
  483    HG1  THR  63          HG1       THR  63   8.998   0.592  -8.589
  484   1HG2  THR  63          HG22      THR  63  11.143   0.678  -5.704
  485   2HG2  THR  63          HG23      THR  63  12.097   0.925  -7.190
  486   3HG2  THR  63          HG21      THR  63  11.716   2.316  -6.149
  487    H    LEU  64          H         LEU  64   9.417   2.110  -3.820
  488    HA   LEU  64          HA        LEU  64   9.065   5.085  -3.902
  489   1HB   LEU  64          HB2       LEU  64   8.492   3.059  -1.724
  490   2HB   LEU  64          HB3       LEU  64   8.710   4.784  -1.429
  491    HG   LEU  64          HG        LEU  64   6.924   5.178  -3.257
  492   1HD1  LEU  64          HD13      LEU  64   6.283   2.310  -2.402
  493   2HD1  LEU  64          HD11      LEU  64   5.176   3.374  -3.286
  494   3HD1  LEU  64          HD12      LEU  64   6.673   2.827  -4.054
  495   1HD2  LEU  64          HD21      LEU  64   6.213   4.026  -0.525
  496   2HD2  LEU  64          HD22      LEU  64   6.653   5.714  -0.872
  497   3HD2  LEU  64          HD23      LEU  64   5.157   5.038  -1.533
  498    H    GLU  65          H         GLU  65  10.822   6.306  -3.565
  499    HA   GLU  65          HA        GLU  65  13.183   5.115  -2.147
  500   1HB   GLU  65          HB2       GLU  65  12.999   7.667  -3.743
  501   2HB   GLU  65          HB3       GLU  65  14.414   7.123  -2.827
  502   1HG   GLU  65          HG2       GLU  65  14.331   4.965  -4.197
  503   2HG   GLU  65          HG3       GLU  65  13.113   5.752  -5.198
  504    HE1  GLU  65          HE        GLU  65  14.018   8.180  -5.616
  505    H    ILE  66          H         ILE  66  13.518   5.597  -0.093
  506    HA   ILE  66          HA        ILE  66  11.859   7.691   1.224
  507    HB   ILE  66          HB        ILE  66  12.360   4.758   1.769
  508   1HG1  ILE  66          HG12      ILE  66   9.870   6.473   1.361
  509   2HG1  ILE  66          HG13      ILE  66  10.516   5.213   0.303
  510   1HG2  ILE  66          HG21      ILE  66  12.678   5.942   3.964
  511   2HG2  ILE  66          HG22      ILE  66  11.101   6.733   3.745
  512   3HG2  ILE  66          HG23      ILE  66  11.220   4.974   3.942
  513   1HD1  ILE  66          HD12      ILE  66  10.065   3.543   2.161
  514   2HD1  ILE  66          HD13      ILE  66   9.162   4.835   2.986
  515   3HD1  ILE  66          HD11      ILE  66   8.642   4.274   1.392
  516    HA   PRO  67          HA        PRO  67  15.786   8.493   3.341
  517   1HB   PRO  67          HB2       PRO  67  14.987  10.460   5.049
  518   2HB   PRO  67          HB3       PRO  67  15.252  10.712   3.301
  519   1HG   PRO  67          HG2       PRO  67  12.641  10.338   4.744
  520   2HG   PRO  67          HG3       PRO  67  13.016  11.454   3.413
  521   1HD   PRO  67          HD2       PRO  67  11.754   8.990   3.132
  522   2HD   PRO  67          HD3       PRO  67  12.690   9.784   1.828
  523    H    ALA  68          H         ALA  68  16.507   7.071   4.816
  524    HA   ALA  68          HA        ALA  68  15.121   5.393   6.498
  525   1HB   ALA  68          HB3       ALA  68  17.556   5.218   5.925
  526   2HB   ALA  68          HB1       ALA  68  17.881   6.575   7.018
  527   3HB   ALA  68          HB2       ALA  68  17.250   5.045   7.665
  528    H    GLY  69          H         GLY  69  14.478   5.281   8.627
  529   1HA   GLY  69          HA2       GLY  69  13.958   6.011  10.736
  530   2HA   GLY  69          HA3       GLY  69  14.983   7.430  10.505
  531    H    ALA  70          H         ALA  70  13.059   7.822   7.891
  532    HA   ALA  70          HA        ALA  70  11.355   9.791   8.985
  533   1HB   ALA  70          HB2       ALA  70  11.132   8.068   6.476
  534   2HB   ALA  70          HB3       ALA  70  10.172   9.517   6.793
  535   3HB   ALA  70          HB1       ALA  70  11.931   9.655   6.644
  536    H    THR  71          H         THR  71   9.031   9.751   9.301
  537    HA   THR  71          HA        THR  71   8.052   7.165  10.406
  538    HB   THR  71          HB        THR  71   6.783   9.924  10.501
  539    HG1  THR  71          HG1       THR  71   8.789   9.574  11.694
  540   1HG2  THR  71          HG21      THR  71   6.157   7.256  11.869
  541   2HG2  THR  71          HG22      THR  71   5.392   8.809  12.274
  542   3HG2  THR  71          HG23      THR  71   5.148   8.089  10.673
  543    H    VAL  72          H         VAL  72   7.541   5.906   8.721
  544    HA   VAL  72          HA        VAL  72   6.210   6.919   6.300
  545    HB   VAL  72          HB        VAL  72   6.933   4.102   7.234
  546   1HG1  VAL  72          HG12      VAL  72   5.889   5.138   4.551
  547   2HG1  VAL  72          HG13      VAL  72   6.489   3.494   4.850
  548   3HG1  VAL  72          HG11      VAL  72   5.027   4.060   5.667
  549   1HG2  VAL  72          HG21      VAL  72   8.909   5.556   6.729
  550   2HG2  VAL  72          HG22      VAL  72   8.714   4.238   5.562
  551   3HG2  VAL  72          HG23      VAL  72   8.232   5.891   5.130
  552    H    ASP  73          H         ASP  73   4.050   7.084   6.145
  553    HA   ASP  73          HA        ASP  73   2.306   5.498   7.982
  554   1HB   ASP  73          HB2       ASP  73   2.241   8.466   7.438
  555   2HB   ASP  73          HB3       ASP  73   0.717   7.580   7.615
  556    HD1  ASP  73          HD        ASP  73   1.403   6.444  10.871
  557    H    VAL  74          H         VAL  74   1.584   3.969   6.692
  558    HA   VAL  74          HA        VAL  74   1.080   4.555   3.825
  559    HB   VAL  74          HB        VAL  74   0.901   1.982   5.379
  560   1HG1  VAL  74          HG12      VAL  74   0.829   2.567   2.376
  561   2HG1  VAL  74          HG13      VAL  74   0.891   0.944   3.084
  562   3HG1  VAL  74          HG11      VAL  74  -0.531   1.964   3.349
  563   1HG2  VAL  74          HG23      VAL  74   3.111   3.075   3.600
  564   2HG2  VAL  74          HG21      VAL  74   3.208   2.666   5.330
  565   3HG2  VAL  74          HG22      VAL  74   2.998   1.385   4.137
  566    H    THR  75          H         THR  75  -0.752   5.592   3.527
  567    HA   THR  75          HA        THR  75  -3.178   5.091   5.178
  568    HB   THR  75          HB        THR  75  -2.555   7.198   3.066
  569    HG1  THR  75          HG1       THR  75  -1.401   7.357   5.040
  570   1HG2  THR  75          HG22      THR  75  -4.925   6.916   4.973
  571   2HG2  THR  75          HG23      THR  75  -4.583   8.323   3.948
  572   3HG2  THR  75          HG21      THR  75  -4.987   6.771   3.208
  573    H    PHE  76          H         PHE  76  -3.902   3.102   4.381
  574    HA   PHE  76          HA        PHE  76  -4.089   2.613   1.493
  575   1HB   PHE  76          HB2       PHE  76  -5.083   1.246   3.987
  576   2HB   PHE  76          HB3       PHE  76  -5.885   0.859   2.497
  577    HD1  PHE  76          HD1       PHE  76  -3.926   0.641   0.439
  578    HD2  PHE  76          HD2       PHE  76  -3.921  -0.830   4.492
  579    HE1  PHE  76          HE1       PHE  76  -3.905  -1.648  -0.399
  580    HE2  PHE  76          HE2       PHE  76  -3.933  -3.144   3.639
  581    HZ   PHE  76          HZ        PHE  76  -4.042  -3.567   1.191
  582    H    ILE  77          H         ILE  77  -5.946   2.648   0.290
  583    HA   ILE  77          HA        ILE  77  -8.604   3.099   1.522
  584    HB   ILE  77          HB        ILE  77  -7.615   4.467  -1.019
  585   1HG1  ILE  77          HG12      ILE  77  -9.084   6.254   0.586
  586   2HG1  ILE  77          HG13      ILE  77  -8.202   5.340   1.785
  587   1HG2  ILE  77          HG23      ILE  77 -10.409   4.258   0.171
  588   2HG2  ILE  77          HG21      ILE  77  -9.955   5.245  -1.236
  589   3HG2  ILE  77          HG22      ILE  77  -9.914   3.504  -1.357
  590   1HD1  ILE  77          HD11      ILE  77  -6.063   5.807   0.494
  591   2HD1  ILE  77          HD12      ILE  77  -7.026   6.841  -0.596
  592   3HD1  ILE  77          HD13      ILE  77  -6.854   7.266   1.119
  593    H    ASN  78          H         ASN  78  -8.499   0.793   1.591
  594    HA   ASN  78          HA        ASN  78  -8.463  -0.583  -1.081
  595   1HB   ASN  78          HB2       ASN  78  -7.158  -2.023  -0.009
  596   2HB   ASN  78          HB3       ASN  78  -7.683  -1.656   1.587
  597   1HD2  ASN  78          HD22      ASN  78  -9.901  -4.438   1.607
  598   2HD2  ASN  78          HD21      ASN  78  -8.597  -3.563   2.382
  599    H    THR  79          H         THR  79 -10.385  -0.400  -1.951
  600    HA   THR  79          HA        THR  79 -12.700  -1.321  -0.410
  601    HB   THR  79          HB        THR  79 -12.806   1.374  -1.840
  602    HG1  THR  79          HG1       THR  79 -12.032   0.635   0.610
  603   1HG2  THR  79          HG22      THR  79 -14.885  -0.346  -0.431
  604   2HG2  THR  79          HG23      THR  79 -15.055   1.418  -0.602
  605   3HG2  THR  79          HG21      THR  79 -14.984   0.403  -2.030
  606    H    ASN  80          H         ASN  80 -11.143  -2.697  -2.037
  607    HA   ASN  80          HA        ASN  80 -12.208  -2.824  -4.738
  608   1HB   ASN  80          HB2       ASN  80 -10.034  -3.837  -4.216
  609   2HB   ASN  80          HB3       ASN  80 -10.753  -4.786  -2.907
  610   1HD2  ASN  80          HD21      ASN  80 -11.867  -5.912  -6.707
  611   2HD2  ASN  80          HD22      ASN  80 -11.569  -4.200  -6.382
  612    H    LYS  81          H         LYS  81 -12.630  -4.623  -1.801
  613    HA   LYS  81          HA        LYS  81 -14.484  -5.133  -0.599
  614   1HB   LYS  81          HB2       LYS  81 -16.179  -4.963  -3.104
  615   2HB   LYS  81          HB3       LYS  81 -16.753  -5.363  -1.494
  616   1HG   LYS  81          HG2       LYS  81 -16.085  -3.246  -0.568
  617   2HG   LYS  81          HG3       LYS  81 -15.302  -2.740  -2.061
  618   1HD   LYS  81          HD2       LYS  81 -18.284  -3.212  -1.641
  619   2HD   LYS  81          HD3       LYS  81 -17.466  -1.653  -1.779
  620   1HE   LYS  81          HE2       LYS  81 -17.864  -3.727  -3.976
  621   2HE   LYS  81          HE3       LYS  81 -18.492  -2.079  -3.896
  622   1HZ   LYS  81          HZ3       LYS  81 -16.184  -1.315  -4.020
  623   2HZ   LYS  81          HZ1       LYS  81 -15.683  -2.873  -4.228
  624   3HZ   LYS  81          HZ2       LYS  81 -16.655  -2.169  -5.351
  625    H    GLY  82          H         GLY  82 -15.611  -7.219  -0.251
  626   1HA   GLY  82          HA2       GLY  82 -15.577  -9.511  -0.239
  627   2HA   GLY  82          HA3       GLY  82 -14.936  -9.513  -1.893
  628    H    PHE  83          H         PHE  83 -12.614  -8.539  -1.989
  629    HA   PHE  83          HA        PHE  83 -10.882 -10.175  -0.286
  630   1HB   PHE  83          HB2       PHE  83 -10.316  -8.206  -2.519
  631   2HB   PHE  83          HB3       PHE  83  -9.102  -9.187  -1.716
  632    HD1  PHE  83          HD1       PHE  83  -9.127 -11.704  -1.989
  633    HD2  PHE  83          HD2       PHE  83 -11.904  -9.191  -4.111
  634    HE1  PHE  83          HE1       PHE  83  -9.476 -13.505  -3.658
  635    HE2  PHE  83          HE2       PHE  83 -12.258 -10.998  -5.777
  636    HZ   PHE  83          HZ        PHE  83 -11.018 -13.140  -5.574
  637    H    GLY  84          H         GLY  84 -10.730  -9.354   1.790
  638   1HA   GLY  84          HA2       GLY  84 -10.278  -6.560   2.490
  639   2HA   GLY  84          HA3       GLY  84  -9.986  -7.991   3.475
  640    H    HIS  85          H         HIS  85  -8.622  -6.331   0.560
  641    HA   HIS  85          HA        HIS  85  -6.243  -7.761   0.478
  642   1HB   HIS  85          HB2       HIS  85  -6.631  -4.852  -0.251
  643   2HB   HIS  85          HB3       HIS  85  -5.217  -5.814  -0.674
  644    HD2  HIS  85          HD2       HIS  85  -8.821  -5.195  -1.655
  645    HE1  HIS  85          HE1       HIS  85  -7.305  -7.869  -4.562
  646    HE2  HIS  85          HE2       HIS  85  -9.274  -6.420  -3.917
  647    H    SER  86          H         SER  86  -4.291  -7.805   1.474
  648    HA   SER  86          HA        SER  86  -3.823  -6.138   3.863
  649   1HB   SER  86          HB2       SER  86  -1.945  -7.971   3.947
  650   2HB   SER  86          HB3       SER  86  -3.607  -8.446   4.284
  651    HG   SER  86          HG        SER  86  -2.860  -9.892   2.825
  652    H    PHE  87          H         PHE  87  -1.738  -5.100   4.037
  653    HA   PHE  87          HA        PHE  87  -0.162  -4.811   1.528
  654   1HB   PHE  87          HB2       PHE  87  -1.517  -2.756   2.172
  655   2HB   PHE  87          HB3       PHE  87  -0.514  -2.591   3.585
  656    HD1  PHE  87          HD1       PHE  87   2.149  -2.592   3.059
  657    HD2  PHE  87          HD2       PHE  87  -0.928  -1.677   0.172
  658    HE1  PHE  87          HE1       PHE  87   3.716  -1.111   1.842
  659    HE2  PHE  87          HE2       PHE  87   0.698  -0.340  -1.123
  660    HZ   PHE  87          HZ        PHE  87   3.007  -0.004  -0.262
  661    H    ASP  88          H         ASP  88   1.810  -5.877   2.104
  662    HA   ASP  88          HA        ASP  88   2.634  -5.812   4.985
  663   1HB   ASP  88          HB2       ASP  88   2.870  -8.284   3.283
  664   2HB   ASP  88          HB3       ASP  88   2.909  -8.114   5.040
  665    HD2  ASP  88          HD        ASP  88   0.884  -8.051   2.290
  666    H    ILE  89          H         ILE  89   4.661  -5.157   5.256
  667    HA   ILE  89          HA        ILE  89   6.390  -4.803   2.888
  668    HB   ILE  89          HB        ILE  89   6.455  -3.501   5.625
  669   1HG1  ILE  89          HG12      ILE  89   5.511  -2.494   2.907
  670   2HG1  ILE  89          HG13      ILE  89   4.497  -2.802   4.324
  671   1HG2  ILE  89          HG23      ILE  89   8.713  -3.665   4.610
  672   2HG2  ILE  89          HG21      ILE  89   8.091  -2.945   3.111
  673   3HG2  ILE  89          HG22      ILE  89   8.151  -2.007   4.619
  674   1HD1  ILE  89          HD11      ILE  89   5.772  -1.006   5.558
  675   2HD1  ILE  89          HD12      ILE  89   6.545  -0.586   4.010
  676   3HD1  ILE  89          HD13      ILE  89   4.795  -0.452   4.187
  677    H    THR  90          H         THR  90   8.297  -5.845   2.722
  678    HA   THR  90          HA        THR  90   9.697  -7.005   4.965
  679    HB   THR  90          HB        THR  90   8.004  -8.647   4.713
  680    HG1  THR  90          HG1       THR  90   9.344 -10.357   4.607
  681   1HG2  THR  90          HG23      THR  90   8.823  -8.925   1.776
  682   2HG2  THR  90          HG21      THR  90   7.728 -10.019   2.643
  683   3HG2  THR  90          HG22      THR  90   7.264  -8.330   2.382
  684    H    LYS  91          H         LYS  91  11.173  -8.817   3.213
  685    HA   LYS  91          HA        LYS  91  12.450  -6.824   1.356
  686   1HB   LYS  91          HB2       LYS  91  14.000  -8.640   3.254
  687   2HB   LYS  91          HB3       LYS  91  14.627  -7.346   2.219
  688   1HG   LYS  91          HG2       LYS  91  13.188  -5.726   3.567
  689   2HG   LYS  91          HG3       LYS  91  12.839  -7.065   4.674
  690   1HD   LYS  91          HD2       LYS  91  14.562  -5.893   5.717
  691   2HD   LYS  91          HD3       LYS  91  15.365  -7.306   5.011
  692   1HE   LYS  91          HE2       LYS  91  16.192  -5.906   3.138
  693   2HE   LYS  91          HE3       LYS  91  15.242  -4.531   3.723
  694   1HZ   LYS  91          HZ2       LYS  91  17.448  -5.784   5.182
  695   2HZ   LYS  91          HZ3       LYS  91  17.512  -4.361   4.353
  696   3HZ   LYS  91          HZ1       LYS  91  16.556  -4.489   5.685
  697    H    LYS  92          H         LYS  92  11.047  -9.851   1.430
  698    HA   LYS  92          HA        LYS  92  12.977 -11.157  -0.331
  699   1HB   LYS  92          HB2       LYS  92  10.082 -11.900   0.212
  700   2HB   LYS  92          HB3       LYS  92  11.340 -12.886  -0.561
  701   1HG   LYS  92          HG2       LYS  92  12.690 -12.464   1.668
  702   2HG   LYS  92          HG3       LYS  92  11.113 -12.033   2.348
  703   1HD   LYS  92          HD2       LYS  92  11.938 -14.692   1.092
  704   2HD   LYS  92          HD3       LYS  92  11.595 -14.366   2.799
  705   1HE   LYS  92          HE2       LYS  92   9.225 -13.742   2.108
  706   2HE   LYS  92          HE3       LYS  92   9.602 -14.356   0.487
  707   1HZ   LYS  92          HZ2       LYS  92  10.169 -16.463   1.554
  708   2HZ   LYS  92          HZ3       LYS  92   9.647 -15.853   3.005
  709   3HZ   LYS  92          HZ1       LYS  92   8.590 -16.025   1.747
  710    H    GLY  93          H         GLY  93  13.001 -11.114  -2.539
  711   1HA   GLY  93          HA2       GLY  93  11.415  -9.033  -3.864
  712   2HA   GLY  93          HA3       GLY  93  12.791  -9.934  -4.521
  713    HA   PRO  94          HA        PRO  94   8.756 -11.742  -6.198
  714   1HB   PRO  94          HB2       PRO  94   8.834 -10.735  -8.771
  715   2HB   PRO  94          HB3       PRO  94   8.124  -9.823  -7.409
  716   1HG   PRO  94          HG2       PRO  94  10.940  -9.610  -8.520
  717   2HG   PRO  94          HG3       PRO  94   9.774  -8.282  -8.241
  718   1HD   PRO  94          HD2       PRO  94  11.688  -8.891  -6.417
  719   2HD   PRO  94          HD3       PRO  94  10.034  -8.445  -5.883
  720    HA   PRO  95          HA        PRO  95   7.818 -12.726  -8.322
  721   1HB   PRO  95          HB2       PRO  95   7.307 -15.224  -9.200
  722   2HB   PRO  95          HB3       PRO  95   8.134 -14.019 -10.228
  723   1HG   PRO  95          HG2       PRO  95   9.412 -16.209  -8.566
  724   2HG   PRO  95          HG3       PRO  95   9.718 -15.822 -10.283
  725   1HD   PRO  95          HD2       PRO  95  11.302 -14.878  -8.234
  726   2HD   PRO  95          HD3       PRO  95  10.996 -13.912  -9.702
  727    H    TYR  96          H         TYR  96   6.198 -13.165  -6.850
  728    HA   TYR  96          HA        TYR  96   6.888 -14.698  -4.429
  729   1HB   TYR  96          HB2       TYR  96   4.383 -13.198  -5.130
  730   2HB   TYR  96          HB3       TYR  96   4.804 -13.867  -3.558
  731    HD1  TYR  96          HD2       TYR  96   6.930 -13.037  -2.384
  732    HD2  TYR  96          HD1       TYR  96   5.257 -11.034  -5.816
  733    HE1  TYR  96          HE2       TYR  96   8.455 -11.138  -2.016
  734    HE2  TYR  96          HE1       TYR  96   6.816  -9.157  -5.471
  735    HH   TYR  96          HH        TYR  96   9.174  -9.085  -2.778
  736    H    ALA  97          H         ALA  97   5.596 -16.456  -3.711
  737    HA   ALA  97          HA        ALA  97   4.764 -18.241  -5.890
  738   1HB   ALA  97          HB3       ALA  97   4.918 -18.604  -2.873
  739   2HB   ALA  97          HB1       ALA  97   4.444 -19.873  -4.023
  740   3HB   ALA  97          HB2       ALA  97   6.078 -19.179  -4.084
  741    H    VAL  98          H         VAL  98   2.667 -19.169  -6.041
  742    HA   VAL  98          HA        VAL  98   0.451 -17.430  -5.675
  743    HB   VAL  98          HB        VAL  98   0.663 -20.421  -6.158
  744   1HG1  VAL  98          HG11      VAL  98  -1.831 -18.664  -6.238
  745   2HG1  VAL  98          HG12      VAL  98  -1.726 -20.318  -6.879
  746   3HG1  VAL  98          HG13      VAL  98  -1.544 -20.037  -5.146
  747   1HG2  VAL  98          HG21      VAL  98   1.515 -18.963  -7.979
  748   2HG2  VAL  98          HG22      VAL  98   0.038 -19.808  -8.463
  749   3HG2  VAL  98          HG23      VAL  98  -0.035 -18.096  -8.002
  750    H    MET  99          H         MET  99   1.730 -20.115  -3.695
  751    HA   MET  99          HA        MET  99  -0.269 -19.690  -1.583
  752   1HB   MET  99          HB2       MET  99   2.282 -21.363  -1.730
  753   2HB   MET  99          HB3       MET  99   1.239 -21.241  -0.307
  754   1HG   MET  99          HG2       MET  99   0.628 -23.235  -1.429
  755   2HG   MET  99          HG3       MET  99  -0.683 -22.079  -1.677
  756   1HE   MET  99          HE1       MET  99  -1.746 -23.621  -3.507
  757   2HE   MET  99          HE2       MET  99  -0.843 -24.293  -4.884
  758   3HE   MET  99          HE3       MET  99  -0.453 -24.816  -3.227
  759    HA   PRO 100          HA        PRO 100   2.181 -16.168  -0.453
  760   1HB   PRO 100          HB2       PRO 100   1.053 -15.375   1.905
  761   2HB   PRO 100          HB3       PRO 100   0.219 -15.300   0.332
  762   1HG   PRO 100          HG2       PRO 100   0.013 -17.470   2.425
  763   2HG   PRO 100          HG3       PRO 100  -1.313 -16.585   1.613
  764   1HD   PRO 100          HD2       PRO 100  -0.438 -19.053   0.750
  765   2HD   PRO 100          HD3       PRO 100  -0.971 -17.804  -0.413
  766    H    VAL 101          H         VAL 101   4.018 -17.776  -0.334
  767    HA   VAL 101          HA        VAL 101   5.086 -18.334   2.349
  768    HB   VAL 101          HB        VAL 101   6.486 -18.421  -0.362
  769   1HG1  VAL 101          HG11      VAL 101   7.135 -19.747   2.319
  770   2HG1  VAL 101          HG12      VAL 101   8.029 -19.973   0.803
  771   3HG1  VAL 101          HG13      VAL 101   8.039 -18.400   1.603
  772   1HG2  VAL 101          HG23      VAL 101   5.033 -20.618   1.183
  773   2HG2  VAL 101          HG21      VAL 101   4.568 -19.968  -0.401
  774   3HG2  VAL 101          HG22      VAL 101   6.068 -20.880  -0.236
  775    H    ILE 102          H         ILE 102   4.440 -16.093   2.794
  776    HA   ILE 102          HA        ILE 102   6.016 -13.856   1.798
  777    HB   ILE 102          HB        ILE 102   4.567 -12.573   3.387
  778   1HG1  ILE 102          HG12      ILE 102   2.431 -14.314   3.891
  779   2HG1  ILE 102          HG13      ILE 102   3.797 -15.287   4.362
  780   1HG2  ILE 102          HG22      ILE 102   4.020 -12.860   1.031
  781   2HG2  ILE 102          HG23      ILE 102   3.142 -14.355   1.389
  782   3HG2  ILE 102          HG21      ILE 102   2.554 -12.800   2.013
  783   1HD1  ILE 102          HD11      ILE 102   3.290 -12.491   5.383
  784   2HD1  ILE 102          HD13      ILE 102   2.932 -14.003   6.240
  785   3HD1  ILE 102          HD12      ILE 102   4.609 -13.568   5.876
  786    H    ASP 103          H         ASP 103   5.929 -15.741   4.790
  787    HA   ASP 103          HA        ASP 103   7.054 -14.046   6.569
  788   1HB   ASP 103          HB2       ASP 103   7.683 -17.017   6.309
  789   2HB   ASP 103          HB3       ASP 103   7.881 -16.053   7.776
  790    HD1  ASP 103          HD        ASP 103   4.147 -16.966   6.561
  791    HA   PRO 104          HA        PRO 104   8.550 -13.537   8.172
  792   1HB   PRO 104          HB2       PRO 104  10.408 -11.698   8.831
  793   2HB   PRO 104          HB3       PRO 104  10.776 -13.445   8.902
  794   1HG   PRO 104          HG2       PRO 104  11.403 -11.525   6.634
  795   2HG   PRO 104          HG3       PRO 104  12.538 -12.628   7.469
  796   1HD   PRO 104          HD2       PRO 104  11.278 -13.306   5.122
  797   2HD   PRO 104          HD3       PRO 104  11.611 -14.526   6.382
  798    H    ILE 105          H         ILE 105   7.941 -11.223   8.896
  799    HA   ILE 105          HA        ILE 105   7.491  -9.344   6.647
  800    HB   ILE 105          HB        ILE 105   5.514 -10.268   8.750
  801   1HG1  ILE 105          HG12      ILE 105   5.492 -11.591   6.703
  802   2HG1  ILE 105          HG13      ILE 105   4.017 -10.648   6.889
  803   1HG2  ILE 105          HG21      ILE 105   5.406  -7.735   7.083
  804   2HG2  ILE 105          HG22      ILE 105   3.979  -8.479   7.829
  805   3HG2  ILE 105          HG23      ILE 105   5.300  -7.899   8.844
  806   1HD1  ILE 105          HD13      ILE 105   5.115  -8.928   5.248
  807   2HD1  ILE 105          HD11      ILE 105   6.281 -10.226   4.912
  808   3HD1  ILE 105          HD12      ILE 105   4.564 -10.476   4.595
  809    H    VAL 106          H         VAL 106   7.754  -7.200   7.204
  810    HA   VAL 106          HA        VAL 106   9.035  -6.714   9.863
  811    HB   VAL 106          HB        VAL 106   9.094  -5.099   7.272
  812   1HG1  VAL 106          HG13      VAL 106  10.477  -4.621   9.956
  813   2HG1  VAL 106          HG11      VAL 106  10.764  -3.705   8.463
  814   3HG1  VAL 106          HG12      VAL 106   9.194  -3.606   9.268
  815   1HG2  VAL 106          HG22      VAL 106  10.485  -7.159   7.202
  816   2HG2  VAL 106          HG23      VAL 106  11.475  -5.694   7.251
  817   3HG2  VAL 106          HG21      VAL 106  11.266  -6.670   8.717
  818    H    ALA 107          H         ALA 107   7.158  -4.630   7.700
  819    HA   ALA 107          HA        ALA 107   5.269  -3.999   9.943
  820   1HB   ALA 107          HB2       ALA 107   6.480  -2.007   9.205
  821   2HB   ALA 107          HB3       ALA 107   5.976  -2.292   7.527
  822   3HB   ALA 107          HB1       ALA 107   4.764  -1.915   8.771
  823    H    GLY 108          H         GLY 108   2.887  -3.949   9.228
  824   1HA   GLY 108          HA2       GLY 108   2.199  -4.367   6.594
  825   2HA   GLY 108          HA3       GLY 108   2.326  -6.009   7.298
  826    H    THR 109          H         THR 109  -0.040  -5.363   6.295
  827    HA   THR 109          HA        THR 109  -1.740  -4.858   8.681
  828    HB   THR 109          HB        THR 109  -3.409  -3.984   6.899
  829    HG1  THR 109          HG1       THR 109  -0.972  -3.847   5.439
  830   1HG2  THR 109          HG21      THR 109  -0.814  -2.475   7.408
  831   2HG2  THR 109          HG22      THR 109  -2.347  -1.759   6.859
  832   3HG2  THR 109          HG23      THR 109  -2.224  -2.488   8.475
  833    H    GLY 110          H         GLY 110  -2.781  -6.599   9.299
  834   1HA   GLY 110          HA2       GLY 110  -2.980  -8.996   7.697
  835   2HA   GLY 110          HA3       GLY 110  -3.570  -8.702   9.340
  836    H    PHE 111          H         PHE 111  -4.199  -7.516   6.057
  837    HA   PHE 111          HA        PHE 111  -5.960  -7.520   4.693
  838   1HB   PHE 111          HB2       PHE 111  -7.577  -9.008   6.755
  839   2HB   PHE 111          HB3       PHE 111  -7.885  -8.956   5.061
  840    HD1  PHE 111          HD2       PHE 111  -5.826  -9.784   3.488
  841    HD2  PHE 111          HD1       PHE 111  -6.400 -10.901   7.613
  842    HE1  PHE 111          HE2       PHE 111  -4.291 -11.714   3.189
  843    HE2  PHE 111          HE1       PHE 111  -4.848 -12.804   7.312
  844    HZ   PHE 111          HZ        PHE 111  -3.788 -13.215   5.099
  845    H    SER 112          H         SER 112  -6.494  -5.396   4.468
  846    HA   SER 112          HA        SER 112  -7.635  -3.877   6.655
  847   1HB   SER 112          HB2       SER 112  -7.610  -2.000   5.077
  848   2HB   SER 112          HB3       SER 112  -6.083  -2.855   5.124
  849    HG   SER 112          HG        SER 112  -6.568  -3.819   3.183
  850    HA   PRO 113          HA        PRO 113 -11.852  -4.342   6.419
  851   1HB   PRO 113          HB2       PRO 113 -12.326  -1.567   5.310
  852   2HB   PRO 113          HB3       PRO 113 -13.178  -2.375   6.655
  853   1HG   PRO 113          HG2       PRO 113 -11.218  -0.604   7.211
  854   2HG   PRO 113          HG3       PRO 113 -11.245  -2.173   8.068
  855   1HD   PRO 113          HD2       PRO 113  -9.614  -1.367   5.665
  856   2HD   PRO 113          HD3       PRO 113  -9.060  -2.191   7.156
  857    H    VAL 114          H         VAL 114 -13.903  -4.450   5.307
  858    HA   VAL 114          HA        VAL 114 -13.866  -4.466   2.318
  859    HB   VAL 114          HB        VAL 114 -15.030  -6.506   4.260
  860   1HG1  VAL 114          HG11      VAL 114 -15.465  -6.061   1.295
  861   2HG1  VAL 114          HG12      VAL 114 -15.743  -7.641   2.071
  862   3HG1  VAL 114          HG13      VAL 114 -16.698  -6.234   2.552
  863   1HG2  VAL 114          HG23      VAL 114 -12.964  -6.732   2.024
  864   2HG2  VAL 114          HG21      VAL 114 -12.628  -6.808   3.768
  865   3HG2  VAL 114          HG22      VAL 114 -13.592  -8.076   3.001
  866    HA   PRO 115          HA        PRO 115 -16.978  -1.577   4.013
  867   1HB   PRO 115          HB2       PRO 115 -16.519  -0.288   1.323
  868   2HB   PRO 115          HB3       PRO 115 -16.592   0.494   2.927
  869   1HG   PRO 115          HG2       PRO 115 -14.249   0.091   1.686
  870   2HG   PRO 115          HG3       PRO 115 -14.386  -0.253   3.442
  871   1HD   PRO 115          HD2       PRO 115 -14.518  -2.208   1.123
  872   2HD   PRO 115          HD3       PRO 115 -13.535  -2.264   2.611
  873    H    LYS 116          H         LYS 116 -18.723  -0.281   2.473
  874    HA   LYS 116          HA        LYS 116 -20.143  -2.110   0.667
  875   1HB   LYS 116          HB2       LYS 116 -21.468  -0.538   2.933
  876   2HB   LYS 116          HB3       LYS 116 -22.282  -1.525   1.704
  877   1HG   LYS 116          HG2       LYS 116 -20.974  -3.522   2.563
  878   2HG   LYS 116          HG3       LYS 116 -20.401  -2.504   3.896
  879   1HD   LYS 116          HD2       LYS 116 -22.804  -2.038   4.512
  880   2HD   LYS 116          HD3       LYS 116 -23.309  -3.211   3.284
  881   1HE   LYS 116          HE2       LYS 116 -21.541  -3.785   5.716
  882   2HE   LYS 116          HE3       LYS 116 -23.250  -4.216   5.548
  883   1HZ   LYS 116          HZ2       LYS 116 -22.649  -5.619   3.703
  884   2HZ   LYS 116          HZ3       LYS 116 -21.056  -5.235   3.885
  885   3HZ   LYS 116          HZ1       LYS 116 -21.845  -6.059   5.072
  886    H    ASP 117          H         ASP 117 -21.869  -0.570  -0.444
  887    HA   ASP 117          HA        ASP 117 -20.423   1.234  -1.937
  888   1HB   ASP 117          HB2       ASP 117 -22.596   0.348  -2.662
  889   2HB   ASP 117          HB3       ASP 117 -23.423   1.288  -1.399
  890    HD1  ASP 117          HD        ASP 117 -21.746   3.517  -4.295
  891    H    GLY 118          H         GLY 118 -20.294   3.501  -2.116
  892   1HA   GLY 118          HA2       GLY 118 -20.198   5.686  -1.397
  893   2HA   GLY 118          HA3       GLY 118 -21.281   5.294  -0.058
  894    H    LYS 119          H         LYS 119 -19.722   3.287   1.239
  895    HA   LYS 119          HA        LYS 119 -17.879   5.013   2.679
  896   1HB   LYS 119          HB2       LYS 119 -18.616   2.084   3.093
  897   2HB   LYS 119          HB3       LYS 119 -17.672   3.087   4.209
  898   1HG   LYS 119          HG2       LYS 119 -19.622   4.637   4.427
  899   2HG   LYS 119          HG3       LYS 119 -20.578   3.556   3.390
  900   1HD   LYS 119          HD2       LYS 119 -20.234   1.702   5.009
  901   2HD   LYS 119          HD3       LYS 119 -19.286   2.787   6.051
  902   1HE   LYS 119          HE2       LYS 119 -21.276   4.277   6.288
  903   2HE   LYS 119          HE3       LYS 119 -22.219   3.172   5.268
  904   1HZ   LYS 119          HZ2       LYS 119 -21.867   1.469   6.907
  905   2HZ   LYS 119          HZ3       LYS 119 -20.997   2.501   7.854
  906   3HZ   LYS 119          HZ1       LYS 119 -22.596   2.784   7.579
  907    H    PHE 120          H         PHE 120 -15.665   4.484   3.120
  908    HA   PHE 120          HA        PHE 120 -14.265   2.835   1.053
  909   1HB   PHE 120          HB2       PHE 120 -14.097   5.741   1.677
  910   2HB   PHE 120          HB3       PHE 120 -12.586   4.965   1.288
  911    HD1  PHE 120          HD1       PHE 120 -16.037   5.572   0.038
  912    HD2  PHE 120          HD2       PHE 120 -12.304   3.759  -0.925
  913    HE1  PHE 120          HE1       PHE 120 -16.798   5.235  -2.287
  914    HE2  PHE 120          HE2       PHE 120 -12.934   3.688  -3.323
  915    HZ   PHE 120          HZ        PHE 120 -15.193   4.476  -4.017
  916    H    GLY 121          H         GLY 121 -12.994   1.440   1.993
  917   1HA   GLY 121          HA2       GLY 121 -12.494   1.441   4.867
  918   2HA   GLY 121          HA3       GLY 121 -12.039   0.201   3.687
  919    H    TYR 122          H         TYR 122 -10.790   2.545   5.729
  920    HA   TYR 122          HA        TYR 122  -8.292   2.634   4.142
  921   1HB   TYR 122          HB2       TYR 122  -7.701   4.761   4.967
  922   2HB   TYR 122          HB3       TYR 122  -9.287   4.885   4.250
  923    HD1  TYR 122          HD2       TYR 122  -7.195   5.074   7.265
  924    HD2  TYR 122          HD1       TYR 122 -11.178   5.525   5.705
  925    HE1  TYR 122          HE2       TYR 122  -7.742   6.614   9.121
  926    HE2  TYR 122          HE1       TYR 122 -11.754   7.007   7.622
  927    HH   TYR 122          HH        TYR 122 -10.999   8.037   9.520
  928    H    THR 123          H         THR 123  -6.353   2.846   5.436
  929    HA   THR 123          HA        THR 123  -6.527   1.989   8.177
  930    HB   THR 123          HB        THR 123  -5.354   0.203   6.012
  931    HG1  THR 123          HG1       THR 123  -7.636   0.185   7.258
  932   1HG2  THR 123          HG22      THR 123  -4.909   0.045   9.004
  933   2HG2  THR 123          HG23      THR 123  -4.531  -1.242   7.834
  934   3HG2  THR 123          HG21      THR 123  -3.673   0.307   7.756
  935    H    ASP 124          H         ASP 124  -4.968   3.072   9.207
  936    HA   ASP 124          HA        ASP 124  -2.718   4.307   7.632
  937   1HB   ASP 124          HB2       ASP 124  -4.498   5.430   9.797
  938   2HB   ASP 124          HB3       ASP 124  -2.799   5.915   9.724
  939    HD2  ASP 124          HD        ASP 124  -2.941   7.567   6.738
  940    H    PHE 125          H         PHE 125  -1.290   2.595   7.932
  941    HA   PHE 125          HA        PHE 125  -0.638   1.983  10.788
  942   1HB   PHE 125          HB2       PHE 125   0.296  -0.027  10.217
  943   2HB   PHE 125          HB3       PHE 125  -1.270   0.046   9.437
  944    HD1  PHE 125          HD2       PHE 125  -1.315   0.486   6.867
  945    HD2  PHE 125          HD1       PHE 125   2.352  -0.285   9.012
  946    HE1  PHE 125          HE2       PHE 125  -0.313  -0.469   4.818
  947    HE2  PHE 125          HE1       PHE 125   3.397  -1.081   6.910
  948    HZ   PHE 125          HZ        PHE 125   2.072  -1.199   4.830
  949    H    THR 126          H         THR 126   1.478   2.203  11.446
  950    HA   THR 126          HA        THR 126   3.003   4.210   9.891
  951    HB   THR 126          HB        THR 126   2.981   3.723  12.891
  952    HG1  THR 126          HG1       THR 126   0.990   4.510  12.042
  953   1HG2  THR 126          HG21      THR 126   4.093   5.983  11.176
  954   2HG2  THR 126          HG22      THR 126   3.973   6.019  12.946
  955   3HG2  THR 126          HG23      THR 126   5.047   4.851  12.162
  956    H    TRP 127          H         TRP 127   5.314   3.956   9.742
  957    HA   TRP 127          HA        TRP 127   6.582   1.670  11.051
  958   1HB   TRP 127          HB2       TRP 127   5.782   0.710   8.933
  959   2HB   TRP 127          HB3       TRP 127   6.472   2.043   8.024
  960    HD1  TRP 127          HD1       TRP 127   8.216  -0.127  10.669
  961    HE1  TRP 127          HE1       TRP 127  10.246  -1.290   9.649
  962    HE3  TRP 127          HE3       TRP 127   7.657   1.406   5.825
  963    HZ2  TRP 127          HZ2       TRP 127  11.437  -1.592   7.004
  964    HZ3  TRP 127          HZ3       TRP 127   9.404   0.812   4.133
  965    HH2  TRP 127          HH2       TRP 127  11.190  -0.728   4.671
  966    H    HIS 128          H         HIS 128   8.795   1.924  11.300
  967    HA   HIS 128          HA        HIS 128  10.014   4.530  10.501
  968   1HB   HIS 128          HB2       HIS 128  10.385   2.900  13.025
  969   2HB   HIS 128          HB3       HIS 128  11.486   4.172  12.483
  970    HD1  HIS 128          HD1       HIS 128   8.194   3.796  14.268
  971    HD2  HIS 128          HD2       HIS 128  10.264   6.680  11.995
  972    HE1  HIS 128          HE1       HIS 128   6.950   6.022  14.589
  973    HE2  HIS 128          HE2       HIS 128   8.221   7.765  13.181
  974    HA   PRO 129          HA        PRO 129  12.017   1.114   8.321
  975   1HB   PRO 129          HB2       PRO 129  12.675   2.348   6.057
  976   2HB   PRO 129          HB3       PRO 129  10.965   2.182   6.530
  977   1HG   PRO 129          HG2       PRO 129  12.734   4.613   6.885
  978   2HG   PRO 129          HG3       PRO 129  11.092   4.536   6.201
  979   1HD   PRO 129          HD2       PRO 129  11.670   5.083   8.862
  980   2HD   PRO 129          HD3       PRO 129  10.115   4.357   8.299
  981    H    THR 130          H         THR 130  14.027   0.278   8.504
  982    HA   THR 130          HA        THR 130  16.410   1.902   9.029
  983    HB   THR 130          HB        THR 130  17.294  -0.605   8.971
  984    HG1  THR 130          HG1       THR 130  15.434  -1.531   8.024
  985   1HG2  THR 130          HG21      THR 130  15.269   0.314  11.067
  986   2HG2  THR 130          HG22      THR 130  16.470  -0.976  11.277
  987   3HG2  THR 130          HG23      THR 130  17.004   0.703  11.056
  988    H    ALA 131          H         ALA 131  18.325   1.580   7.517
  989    HA   ALA 131          HA        ALA 131  17.502   2.188   4.907
  990   1HB   ALA 131          HB3       ALA 131  19.593   2.980   5.897
  991   2HB   ALA 131          HB1       ALA 131  20.275   1.339   5.770
  992   3HB   ALA 131          HB2       ALA 131  19.840   2.256   4.305
  993    H    GLY 132          H         GLY 132  18.253   1.132   2.885
  994   1HA   GLY 132          HA2       GLY 132  19.076  -0.728   1.667
  995   2HA   GLY 132          HA3       GLY 132  18.444  -1.853   2.894
  996    H    THR 133          H         THR 133  17.723  -2.737   0.656
  997    HA   THR 133          HA        THR 133  15.379  -1.444  -0.524
  998    HB   THR 133          HB        THR 133  16.666  -4.124  -1.172
  999    HG1  THR 133          HG1       THR 133  17.229  -1.529  -2.171
 1000   1HG2  THR 133          HG21      THR 133  14.945  -2.212  -2.828
 1001   2HG2  THR 133          HG22      THR 133  15.730  -3.687  -3.430
 1002   3HG2  THR 133          HG23      THR 133  14.449  -3.802  -2.213
 1003    H    TYR 134          H         TYR 134  13.279  -2.186  -0.305
 1004    HA   TYR 134          HA        TYR 134  12.715  -4.631   1.247
 1005   1HB   TYR 134          HB2       TYR 134  11.454  -1.921   1.777
 1006   2HB   TYR 134          HB3       TYR 134  10.889  -3.414   2.465
 1007    HD1  TYR 134          HD1       TYR 134  13.755  -1.058   2.230
 1008    HD2  TYR 134          HD2       TYR 134  11.730  -3.986   4.645
 1009    HE1  TYR 134          HE1       TYR 134  15.289  -0.591   4.071
 1010    HE2  TYR 134          HE2       TYR 134  13.291  -3.503   6.511
 1011    HH   TYR 134          HH        TYR 134  16.229  -1.490   5.946
 1012    H    TYR 135          H         TYR 135  10.309  -5.140   0.897
 1013    HA   TYR 135          HA        TYR 135   9.288  -4.211  -1.708
 1014   1HB   TYR 135          HB2       TYR 135   9.623  -7.106  -0.850
 1015   2HB   TYR 135          HB3       TYR 135   8.633  -6.574  -2.204
 1016    HD1  TYR 135          HD1       TYR 135  12.136  -6.760  -0.945
 1017    HD2  TYR 135          HD2       TYR 135   9.591  -6.073  -4.344
 1018    HE1  TYR 135          HE1       TYR 135  14.101  -6.936  -2.440
 1019    HE2  TYR 135          HE2       TYR 135  11.553  -6.258  -5.848
 1020    HH   TYR 135          HH        TYR 135  13.836  -6.597  -5.992
 1021    H    TYR 136          H         TYR 136   6.977  -4.315  -1.802
 1022    HA   TYR 136          HA        TYR 136   5.631  -5.027   0.764
 1023   1HB   TYR 136          HB2       TYR 136   3.914  -3.415   0.298
 1024   2HB   TYR 136          HB3       TYR 136   5.483  -2.664   0.551
 1025    HD1  TYR 136          HD2       TYR 136   2.790  -3.291  -1.915
 1026    HD2  TYR 136          HD1       TYR 136   6.646  -1.482  -1.249
 1027    HE1  TYR 136          HE2       TYR 136   2.441  -1.775  -3.876
 1028    HE2  TYR 136          HE1       TYR 136   6.237   0.071  -3.130
 1029    HH   TYR 136          HH        TYR 136   4.896   0.418  -4.994
 1030    H    VAL 137          H         VAL 137   3.920  -6.420   0.603
 1031    HA   VAL 137          HA        VAL 137   2.916  -7.237  -2.069
 1032    HB   VAL 137          HB        VAL 137   3.148  -9.595  -1.478
 1033   1HG1  VAL 137          HG13      VAL 137   5.845  -8.185  -1.361
 1034   2HG1  VAL 137          HG11      VAL 137   5.556  -9.897  -1.701
 1035   3HG1  VAL 137          HG12      VAL 137   4.936  -8.678  -2.813
 1036   1HG2  VAL 137          HG21      VAL 137   4.734  -8.668   0.968
 1037   2HG2  VAL 137          HG22      VAL 137   3.157  -9.490   0.997
 1038   3HG2  VAL 137          HG23      VAL 137   4.584 -10.338   0.405
 1039    H    CYS 138          H         CYS 138   0.886  -8.301  -1.973
 1040    HA   CYS 138          HA        CYS 138  -0.739  -7.867   0.490
 1041   1HB   CYS 138          HB2       CYS 138  -1.703  -7.007  -1.515
 1042   2HB   CYS 138          HB3       CYS 138  -1.379  -8.502  -2.397
 1043    H    GLN 139          H         GLN 139  -0.731  -9.518   1.894
 1044    HA   GLN 139          HA        GLN 139   0.251 -12.130   1.403
 1045   1HB   GLN 139          HB2       GLN 139  -1.198 -10.716   3.623
 1046   2HB   GLN 139          HB3       GLN 139  -1.146 -12.480   3.680
 1047   1HG   GLN 139          HG2       GLN 139   1.197 -12.525   3.738
 1048   2HG   GLN 139          HG3       GLN 139   1.362 -10.829   3.264
 1049   1HE2  GLN 139          HE21      GLN 139  -0.079 -11.361   7.097
 1050   2HE2  GLN 139          HE22      GLN 139  -0.855 -12.219   5.780
 1051    H    ILE 140          H         ILE 140  -2.883 -11.019   0.450
 1052    HA   ILE 140          HA        ILE 140  -4.312 -13.458   0.892
 1053    HB   ILE 140          HB        ILE 140  -4.664 -11.376  -1.275
 1054   1HG1  ILE 140          HG12      ILE 140  -5.992 -11.857   1.432
 1055   2HG1  ILE 140          HG13      ILE 140  -5.014 -10.457   0.958
 1056   1HG2  ILE 140          HG22      ILE 140  -5.650 -13.592  -1.933
 1057   2HG2  ILE 140          HG23      ILE 140  -6.585 -13.585  -0.423
 1058   3HG2  ILE 140          HG21      ILE 140  -6.863 -12.365  -1.679
 1059   1HD1  ILE 140          HD13      ILE 140  -6.806  -9.894  -0.745
 1060   2HD1  ILE 140          HD11      ILE 140  -7.799 -11.190  -0.026
 1061   3HD1  ILE 140          HD12      ILE 140  -7.319  -9.816   0.955
 1062    HA   PRO 141          HA        PRO 141  -1.874 -16.158  -1.720
 1063   1HB   PRO 141          HB2       PRO 141  -4.608 -17.342  -2.292
 1064   2HB   PRO 141          HB3       PRO 141  -3.075 -18.212  -1.990
 1065   1HG   PRO 141          HG2       PRO 141  -4.904 -17.913   0.003
 1066   2HG   PRO 141          HG3       PRO 141  -3.172 -17.670   0.352
 1067   1HD   PRO 141          HD2       PRO 141  -5.302 -15.593  -0.062
 1068   2HD   PRO 141          HD3       PRO 141  -3.914 -15.608   1.067
 1069    H    GLY 142          H         GLY 142  -1.376 -16.425  -3.911
 1070   1HA   GLY 142          HA2       GLY 142  -1.466 -16.109  -6.181
 1071   2HA   GLY 142          HA3       GLY 142  -3.175 -15.687  -6.046
 1072    H    HIS 143          H         HIS 143  -2.964 -13.415  -4.329
 1073    HA   HIS 143          HA        HIS 143  -2.764 -11.422  -6.245
 1074   1HB   HIS 143          HB2       HIS 143  -2.542 -11.167  -3.231
 1075   2HB   HIS 143          HB3       HIS 143  -2.691  -9.823  -4.357
 1076    HD2  HIS 143          HD2       HIS 143  -4.898 -12.808  -5.300
 1077    HE1  HIS 143          HE1       HIS 143  -7.458  -9.966  -3.494
 1078    HE2  HIS 143          HE2       HIS 143  -7.350 -12.126  -4.793
 1079    H    ALA 144          H         ALA 144  -0.232 -12.007  -3.711
 1080    HA   ALA 144          HA        ALA 144   1.606 -10.098  -4.651
 1081   1HB   ALA 144          HB3       ALA 144   1.849 -11.371  -2.536
 1082   2HB   ALA 144          HB1       ALA 144   2.362 -12.798  -3.470
 1083   3HB   ALA 144          HB2       ALA 144   3.325 -11.305  -3.518
 1084    H    ALA 145          H         ALA 145   1.342 -13.564  -5.547
 1085    HA   ALA 145          HA        ALA 145   3.446 -13.711  -7.399
 1086   1HB   ALA 145          HB2       ALA 145   2.210 -15.659  -6.449
 1087   2HB   ALA 145          HB3       ALA 145   0.822 -15.276  -7.477
 1088   3HB   ALA 145          HB1       ALA 145   2.367 -15.738  -8.208
 1089    H    THR 146          H         THR 146   0.041 -12.777  -7.905
 1090    HA   THR 146          HA        THR 146   0.481 -12.382 -10.777
 1091    HB   THR 146          HB        THR 146  -1.929 -11.643 -10.740
 1092    HG1  THR 146          HG1       THR 146  -1.800 -12.695  -8.103
 1093   1HG2  THR 146          HG21      THR 146  -1.243 -14.408  -9.637
 1094   2HG2  THR 146          HG22      THR 146  -2.761 -13.943 -10.432
 1095   3HG2  THR 146          HG23      THR 146  -1.245 -13.928 -11.350
 1096    H    GLY 147          H         GLY 147   1.722 -10.578  -8.410
 1097   1HA   GLY 147          HA2       GLY 147   2.907  -8.695  -9.026
 1098   2HA   GLY 147          HA3       GLY 147   1.716  -8.243 -10.233
 1099    H    MET 148          H         MET 148   0.311  -8.994  -7.082
 1100    HA   MET 148          HA        MET 148  -0.242  -6.133  -6.709
 1101   1HB   MET 148          HB3       MET 148  -1.860  -7.916  -6.198
 1102   2HB   MET 148          HB2       MET 148  -0.877  -8.467  -4.828
 1103   1HG   MET 148          HG2       MET 148  -1.405  -6.396  -3.671
 1104   2HG   MET 148          HG3       MET 148  -1.772  -5.616  -5.193
 1105   1HE   MET 148          HE1       MET 148  -3.786  -4.679  -5.383
 1106   2HE   MET 148          HE3       MET 148  -5.262  -5.113  -4.479
 1107   3HE   MET 148          HE2       MET 148  -3.790  -4.641  -3.593
 1108    H    PHE 149          H         PHE 149   2.134  -5.589  -6.653
 1109    HA   PHE 149          HA        PHE 149   3.148  -5.641  -3.913
 1110   1HB   PHE 149          HB2       PHE 149   4.982  -7.023  -4.220
 1111   2HB   PHE 149          HB3       PHE 149   3.861  -7.805  -5.284
 1112    HD1  PHE 149          HD1       PHE 149   3.946  -6.767  -7.843
 1113    HD2  PHE 149          HD2       PHE 149   7.152  -6.615  -4.965
 1114    HE1  PHE 149          HE1       PHE 149   5.578  -6.449  -9.675
 1115    HE2  PHE 149          HE2       PHE 149   8.775  -6.280  -6.794
 1116    HZ   PHE 149          HZ        PHE 149   7.997  -6.207  -9.161
 1117    H    GLY 150          H         GLY 150   5.723  -4.759  -4.277
 1118   1HA   GLY 150          HA2       GLY 150   6.514  -2.958  -6.283
 1119   2HA   GLY 150          HA3       GLY 150   5.538  -2.027  -5.164
 1120    H    LYS 151          H         LYS 151   7.928  -1.224  -5.230
 1121    HA   LYS 151          HA        LYS 151   9.715  -2.755  -3.372
 1122   1HB   LYS 151          HB2       LYS 151  10.183  -1.212  -5.908
 1123   2HB   LYS 151          HB3       LYS 151  11.502  -1.464  -4.747
 1124   1HG   LYS 151          HG2       LYS 151  11.557  -3.719  -5.037
 1125   2HG   LYS 151          HG3       LYS 151   9.906  -3.865  -5.662
 1126   1HD   LYS 151          HD2       LYS 151  11.897  -2.254  -7.271
 1127   2HD   LYS 151          HD3       LYS 151  12.067  -4.010  -7.265
 1128   1HE   LYS 151          HE2       LYS 151  10.690  -3.216  -9.169
 1129   2HE   LYS 151          HE3       LYS 151   9.820  -4.339  -8.114
 1130   1HZ   LYS 151          HZ3       LYS 151   9.550  -1.414  -8.073
 1131   2HZ   LYS 151          HZ1       LYS 151   8.475  -2.481  -8.730
 1132   3HZ   LYS 151          HZ2       LYS 151   8.742  -2.474  -7.106
 1133    H    ILE 152          H         ILE 152  11.006  -1.583  -1.990
 1134    HA   ILE 152          HA        ILE 152  10.443   1.310  -1.556
 1135    HB   ILE 152          HB        ILE 152  10.338  -1.048   0.289
 1136   1HG1  ILE 152          HG12      ILE 152   8.690   1.422   0.653
 1137   2HG1  ILE 152          HG13      ILE 152   8.276   0.279  -0.640
 1138   1HG2  ILE 152          HG23      ILE 152  11.129   1.789   1.093
 1139   2HG2  ILE 152          HG21      ILE 152  10.599   0.556   2.254
 1140   3HG2  ILE 152          HG22      ILE 152  12.065   0.300   1.325
 1141   1HD1  ILE 152          HD11      ILE 152   8.585  -0.491   2.301
 1142   2HD1  ILE 152          HD12      ILE 152   7.050  -0.229   1.448
 1143   3HD1  ILE 152          HD13      ILE 152   8.115  -1.562   0.969
 1144    H    VAL 153          H         VAL 153  12.390   2.416  -1.240
 1145    HA   VAL 153          HA        VAL 153  14.889   0.843  -0.785
 1146    HB   VAL 153          HB        VAL 153  14.599   3.240  -2.607
 1147   1HG1  VAL 153          HG13      VAL 153  16.901   1.306  -1.988
 1148   2HG1  VAL 153          HG11      VAL 153  16.947   2.527  -3.282
 1149   3HG1  VAL 153          HG12      VAL 153  16.820   3.033  -1.593
 1150   1HG2  VAL 153          HG23      VAL 153  14.868   0.284  -3.342
 1151   2HG2  VAL 153          HG21      VAL 153  13.501   1.351  -3.735
 1152   3HG2  VAL 153          HG22      VAL 153  15.073   1.626  -4.488
 1153    H    VAL 154          H         VAL 154  15.409   1.424   1.249
 1154    HA   VAL 154          HA        VAL 154  14.745   4.148   2.203
 1155    HB   VAL 154          HB        VAL 154  15.675   1.725   3.743
 1156   1HG1  VAL 154          HG12      VAL 154  15.997   3.983   4.795
 1157   2HG1  VAL 154          HG13      VAL 154  14.272   4.316   4.561
 1158   3HG1  VAL 154          HG11      VAL 154  14.790   3.035   5.666
 1159   1HG2  VAL 154          HG23      VAL 154  13.521   1.257   2.614
 1160   2HG2  VAL 154          HG21      VAL 154  13.394   1.304   4.352
 1161   3HG2  VAL 154          HG22      VAL 154  12.813   2.690   3.385
 1162    H    LYS 155          H         LYS 155  16.419   5.609   1.949
 1163    HA   LYS 155          HA        LYS 155  19.098   4.846   2.902
 1164   1HB   LYS 155          HB2       LYS 155  18.781   5.962   0.084
 1165   2HB   LYS 155          HB3       LYS 155  20.294   5.711   0.984
 1166   1HG   LYS 155          HG2       LYS 155  19.853   3.276   1.048
 1167   2HG   LYS 155          HG3       LYS 155  18.413   3.522   0.038
 1168   1HD   LYS 155          HD2       LYS 155  19.837   4.563  -1.724
 1169   2HD   LYS 155          HD3       LYS 155  21.279   4.227  -0.752
 1170   1HE   LYS 155          HE2       LYS 155  19.337   2.143  -1.869
 1171   2HE   LYS 155          HE3       LYS 155  20.934   2.530  -2.524
 1172   1HZ   LYS 155          HZ2       LYS 155  21.891   1.803  -0.458
 1173   2HZ   LYS 155          HZ3       LYS 155  20.403   1.416   0.139
 1174   3HZ   LYS 155          HZ1       LYS 155  21.008   0.601  -1.157
   
  No H/Q in entry =        1174
  Start of MODEL    5
    1    H    GLY   1          H         GLY   1  -1.896  -5.930  15.486
    2   1HA   GLY   1          HA2       GLY   1  -0.481  -6.758  17.694
    3   2HA   GLY   1          HA3       GLY   1  -2.099  -7.436  17.980
    4    H    THR   2          H         THR   2  -3.107  -8.464  15.889
    5    HA   THR   2          HA        THR   2  -1.267 -10.438  14.712
    6    HB   THR   2          HB        THR   2  -3.429 -11.028  13.502
    7    HG1  THR   2          HG1       THR   2  -4.291  -8.916  13.654
    8   1HG2  THR   2          HG22      THR   2  -2.839 -12.137  15.654
    9   2HG2  THR   2          HG23      THR   2  -3.667 -10.843  16.546
   10   3HG2  THR   2          HG21      THR   2  -4.592 -11.917  15.482
   11    H    LEU   3          H         LEU   3   0.124  -8.628  13.972
   12    HA   LEU   3          HA        LEU   3   0.918  -7.081  12.556
   13   1HB   LEU   3          HB2       LEU   3  -0.825  -8.763  10.910
   14   2HB   LEU   3          HB3       LEU   3  -0.490  -7.219  10.130
   15    HG   LEU   3          HG        LEU   3   1.719  -8.930  11.402
   16   1HD1  LEU   3          HD13      LEU   3   0.528  -9.263   8.621
   17   2HD1  LEU   3          HD11      LEU   3   2.075  -9.963   9.153
   18   3HD1  LEU   3          HD12      LEU   3   0.558 -10.467   9.924
   19   1HD2  LEU   3          HD21      LEU   3   2.200  -6.563  10.649
   20   2HD2  LEU   3          HD22      LEU   3   3.178  -7.810   9.858
   21   3HD2  LEU   3          HD23      LEU   3   1.807  -7.089   8.998
   22    H    ASP   4          H         ASP   4  -0.237  -5.150  10.864
   23    HA   ASP   4          HA        ASP   4  -1.391  -3.520  12.966
   24   1HB   ASP   4          HB2       ASP   4   0.056  -2.498  11.272
   25   2HB   ASP   4          HB3       ASP   4  -1.118  -2.914  10.008
   26    HD2  ASP   4          HD        ASP   4  -1.957   0.041  12.589
   27    H    THR   5          H         THR   5  -3.498  -3.220  13.443
   28    HA   THR   5          HA        THR   5  -5.561  -3.849  11.403
   29    HB   THR   5          HB        THR   5  -6.983  -4.718  13.189
   30    HG1  THR   5          HG1       THR   5  -6.166  -3.574  14.909
   31   1HG2  THR   5          HG23      THR   5  -5.451  -6.314  11.995
   32   2HG2  THR   5          HG21      THR   5  -4.272  -6.115  13.310
   33   3HG2  THR   5          HG22      THR   5  -5.862  -6.814  13.649
   34    H    THR   6          H         THR   6  -4.400  -1.288  11.687
   35    HA   THR   6          HA        THR   6  -6.143   0.318  13.419
   36    HB   THR   6          HB        THR   6  -4.093   1.227  11.350
   37    HG1  THR   6          HG1       THR   6  -3.839   0.670  14.108
   38   1HG2  THR   6          HG23      THR   6  -5.318   2.586  13.790
   39   2HG2  THR   6          HG21      THR   6  -4.049   3.264  12.733
   40   3HG2  THR   6          HG22      THR   6  -5.682   2.985  12.103
   41    H    TRP   7          H         TRP   7  -7.919  -0.855  12.343
   42    HA   TRP   7          HA        TRP   7  -8.672  -0.270   9.578
   43   1HB   TRP   7          HB2       TRP   7 -10.168  -1.542  11.915
   44   2HB   TRP   7          HB3       TRP   7 -10.690  -1.571  10.242
   45    HD1  TRP   7          HD1       TRP   7 -10.559  -4.170  11.729
   46    HE1  TRP   7          HE1       TRP   7  -9.040  -6.084  11.005
   47    HE3  TRP   7          HE3       TRP   7  -6.918  -1.489   9.282
   48    HZ2  TRP   7          HZ2       TRP   7  -6.585  -6.415   9.513
   49    HZ3  TRP   7          HZ3       TRP   7  -5.141  -2.652   8.066
   50    HH2  TRP   7          HH2       TRP   7  -4.990  -5.127   8.141
   51    H    LYS   8          H         LYS   8  -9.693   1.590   8.918
   52    HA   LYS   8          HA        LYS   8 -11.941   2.577  10.537
   53   1HB   LYS   8          HB2       LYS   8  -9.704   4.308   9.369
   54   2HB   LYS   8          HB3       LYS   8 -11.191   4.940  10.091
   55   1HG   LYS   8          HG2       LYS   8  -9.049   3.383  11.601
   56   2HG   LYS   8          HG3       LYS   8  -9.175   5.140  11.508
   57   1HD   LYS   8          HD2       LYS   8 -11.389   5.101  12.594
   58   2HD   LYS   8          HD3       LYS   8 -11.366   3.332  12.630
   59   1HE   LYS   8          HE2       LYS   8 -10.761   4.172  14.818
   60   2HE   LYS   8          HE3       LYS   8  -9.372   3.352  14.090
   61   1HZ   LYS   8          HZ1       LYS   8  -9.809   6.261  14.155
   62   2HZ   LYS   8          HZ2       LYS   8  -8.778   5.423  15.129
   63   3HZ   LYS   8          HZ3       LYS   8  -8.496   5.502  13.508
   64    H    GLU   9          H         GLU   9 -13.206   4.196   9.014
   65    HA   GLU   9          HA        GLU   9 -12.682   3.585   6.200
   66   1HB   GLU   9          HB2       GLU   9 -15.557   3.548   7.011
   67   2HB   GLU   9          HB3       GLU   9 -14.746   3.095   5.501
   68   1HG   GLU   9          HG2       GLU   9 -15.419   1.036   6.576
   69   2HG   GLU   9          HG3       GLU   9 -13.671   1.142   6.827
   70    HE2  GLU   9          HE        GLU   9 -14.204   0.686  10.190
   71    H    ALA  10          H         ALA  10 -12.760   5.360   5.022
   72    HA   ALA  10          HA        ALA  10 -13.834   7.912   6.150
   73   1HB   ALA  10          HB3       ALA  10 -11.409   7.727   5.353
   74   2HB   ALA  10          HB1       ALA  10 -12.043   7.463   3.715
   75   3HB   ALA  10          HB2       ALA  10 -12.364   8.978   4.596
   76    H    THR  11          H         THR  11 -14.325   9.014   3.456
   77    HA   THR  11          HA        THR  11 -16.126   7.066   2.174
   78    HB   THR  11          HB        THR  11 -17.916   8.700   1.972
   79    HG1  THR  11          HG1       THR  11 -16.290  10.325   3.685
   80   1HG2  THR  11          HG23      THR  11 -18.027   7.304   3.980
   81   2HG2  THR  11          HG21      THR  11 -17.095   8.505   4.902
   82   3HG2  THR  11          HG22      THR  11 -18.694   8.918   4.263
   83    H    LEU  12          H         LEU  12 -16.850   7.928  -0.008
   84    HA   LEU  12          HA        LEU  12 -14.868   8.014  -1.721
   85   1HB   LEU  12          HB2       LEU  12 -17.220   7.862  -2.276
   86   2HB   LEU  12          HB3       LEU  12 -17.428   9.593  -2.128
   87    HG   LEU  12          HG        LEU  12 -15.266   8.645  -4.002
   88   1HD1  LEU  12          HD13      LEU  12 -18.235   8.377  -4.638
   89   2HD1  LEU  12          HD11      LEU  12 -16.902   8.200  -5.800
   90   3HD1  LEU  12          HD12      LEU  12 -17.072   7.041  -4.473
   91   1HD2  LEU  12          HD23      LEU  12 -17.444  10.784  -4.187
   92   2HD2  LEU  12          HD21      LEU  12 -15.732  11.070  -3.817
   93   3HD2  LEU  12          HD22      LEU  12 -16.205  10.478  -5.413
   94    HA   PRO  13          HA        PRO  13 -14.092  12.673  -2.325
   95   1HB   PRO  13          HB2       PRO  13 -14.736  14.466  -0.316
   96   2HB   PRO  13          HB3       PRO  13 -15.793  14.079  -1.702
   97   1HG   PRO  13          HG2       PRO  13 -15.880  12.855   1.073
   98   2HG   PRO  13          HG3       PRO  13 -17.240  13.537   0.135
   99   1HD   PRO  13          HD2       PRO  13 -16.819  10.897   0.146
  100   2HD   PRO  13          HD3       PRO  13 -17.196  11.715  -1.398
  101    H    GLN  14          H         GLN  14 -13.879  11.124   0.861
  102    HA   GLN  14          HA        GLN  14 -11.538  12.577   1.729
  103   1HB   GLN  14          HB2       GLN  14 -12.568   9.899   2.660
  104   2HB   GLN  14          HB3       GLN  14 -11.407  10.962   3.481
  105   1HG   GLN  14          HG2       GLN  14 -13.090  12.780   3.654
  106   2HG   GLN  14          HG3       GLN  14 -14.300  11.768   2.860
  107   1HE2  GLN  14          HE21      GLN  14 -13.358  10.989   6.777
  108   2HE2  GLN  14          HE22      GLN  14 -12.226  11.907   5.803
  109    H    VAL  15          H         VAL  15 -12.161   9.856  -0.446
  110    HA   VAL  15          HA        VAL  15  -9.489   8.755  -0.366
  111    HB   VAL  15          HB        VAL  15 -11.449   8.797  -2.690
  112   1HG1  VAL  15          HG12      VAL  15  -9.015   7.079  -2.102
  113   2HG1  VAL  15          HG13      VAL  15 -10.208   6.751  -3.378
  114   3HG1  VAL  15          HG11      VAL  15  -9.229   8.218  -3.441
  115   1HG2  VAL  15          HG22      VAL  15 -11.068   6.713  -0.496
  116   2HG2  VAL  15          HG23      VAL  15 -12.495   7.749  -0.688
  117   3HG2  VAL  15          HG21      VAL  15 -12.104   6.562  -1.933
  118    H    LYS  16          H         LYS  16 -11.106  11.344  -2.254
  119    HA   LYS  16          HA        LYS  16  -8.797  12.038  -3.826
  120   1HB   LYS  16          HB2       LYS  16 -11.173  13.776  -3.042
  121   2HB   LYS  16          HB3       LYS  16  -9.954  14.135  -4.269
  122   1HG   LYS  16          HG2       LYS  16 -10.597  12.064  -5.505
  123   2HG   LYS  16          HG3       LYS  16 -11.879  11.767  -4.310
  124   1HD   LYS  16          HD2       LYS  16 -12.958  13.911  -4.900
  125   2HD   LYS  16          HD3       LYS  16 -11.629  14.303  -6.001
  126   1HE   LYS  16          HE2       LYS  16 -13.554  13.484  -7.269
  127   2HE   LYS  16          HE3       LYS  16 -12.190  12.370  -7.433
  128   1HZ   LYS  16          HZ1       LYS  16 -14.469  12.022  -5.610
  129   2HZ   LYS  16          HZ2       LYS  16 -14.253  11.237  -7.043
  130   3HZ   LYS  16          HZ3       LYS  16 -13.214  10.968  -5.795
  131    H    ALA  17          H         ALA  17 -10.169  13.366  -0.776
  132    HA   ALA  17          HA        ALA  17  -8.227  15.293  -0.245
  133   1HB   ALA  17          HB3       ALA  17 -10.280  14.884   1.122
  134   2HB   ALA  17          HB1       ALA  17  -9.468  13.483   1.863
  135   3HB   ALA  17          HB2       ALA  17  -8.808  15.107   2.090
  136    H    MET  18          H         MET  18  -8.056  11.794   0.653
  137    HA   MET  18          HA        MET  18  -5.433  11.994   1.776
  138   1HB   MET  18          HB2       MET  18  -7.061   9.662   0.763
  139   2HB   MET  18          HB3       MET  18  -5.411   9.473   1.381
  140   1HG   MET  18          HG2       MET  18  -5.988  10.533   3.494
  141   2HG   MET  18          HG3       MET  18  -7.653  10.786   2.966
  142   1HE   MET  18          HE2       MET  18  -9.452   8.991   2.877
  143   2HE   MET  18          HE3       MET  18  -8.501   8.146   1.636
  144   3HE   MET  18          HE1       MET  18  -9.155   7.239   3.023
  145    H    LEU  19          H         LEU  19  -6.496  10.984  -1.551
  146    HA   LEU  19          HA        LEU  19  -3.919  10.480  -2.596
  147   1HB   LEU  19          HB2       LEU  19  -6.440  11.550  -3.893
  148   2HB   LEU  19          HB3       LEU  19  -4.991  11.178  -4.823
  149    HG   LEU  19          HG        LEU  19  -6.339   9.089  -3.063
  150   1HD1  LEU  19          HD12      LEU  19  -6.755   9.671  -6.031
  151   2HD1  LEU  19          HD13      LEU  19  -7.394   8.266  -5.154
  152   3HD1  LEU  19          HD11      LEU  19  -7.958   9.897  -4.746
  153   1HD2  LEU  19          HD23      LEU  19  -4.437   8.873  -5.440
  154   2HD2  LEU  19          HD21      LEU  19  -3.990   8.585  -3.745
  155   3HD2  LEU  19          HD22      LEU  19  -5.144   7.515  -4.545
  156    H    GLU  20          H         GLU  20  -5.605  13.602  -2.294
  157    HA   GLU  20          HA        GLU  20  -3.646  15.200  -3.606
  158   1HB   GLU  20          HB2       GLU  20  -5.544  15.812  -1.312
  159   2HB   GLU  20          HB3       GLU  20  -4.579  17.038  -2.136
  160   1HG   GLU  20          HG2       GLU  20  -5.737  16.784  -4.184
  161   2HG   GLU  20          HG3       GLU  20  -6.398  15.207  -3.753
  162    HE1  GLU  20          HE        GLU  20  -8.086  18.304  -1.825
  163    H    LYS  21          H         LYS  21  -3.687  13.765  -0.336
  164    HA   LYS  21          HA        LYS  21  -1.258  15.202   0.520
  165   1HB   LYS  21          HB2       LYS  21  -2.716  12.862   1.793
  166   2HB   LYS  21          HB3       LYS  21  -1.499  13.859   2.559
  167   1HG   LYS  21          HG2       LYS  21  -3.968  15.292   1.548
  168   2HG   LYS  21          HG3       LYS  21  -4.186  14.140   2.846
  169   1HD   LYS  21          HD2       LYS  21  -3.847  16.346   3.756
  170   2HD   LYS  21          HD3       LYS  21  -2.559  15.245   4.252
  171   1HE   LYS  21          HE2       LYS  21  -1.684  17.493   3.670
  172   2HE   LYS  21          HE3       LYS  21  -1.011  16.251   2.612
  173   1HZ   LYS  21          HZ2       LYS  21  -3.246  18.049   1.955
  174   2HZ   LYS  21          HZ3       LYS  21  -1.699  18.180   1.399
  175   3HZ   LYS  21          HZ1       LYS  21  -2.626  16.894   0.954
  176    H    ASP  22          H         ASP  22  -0.713  14.117  -1.853
  177    HA   ASP  22          HA        ASP  22   0.093  11.357  -1.796
  178   1HB   ASP  22          HB2       ASP  22  -0.102  11.756  -3.962
  179   2HB   ASP  22          HB3       ASP  22  -0.038  13.500  -3.768
  180    HD2  ASP  22          HD        ASP  22   3.278  11.581  -4.865
  181    H    THR  23          H         THR  23   1.955  14.374  -1.688
  182    HA   THR  23          HA        THR  23   3.914  14.981  -0.928
  183    HB   THR  23          HB        THR  23   4.862  14.030   1.092
  184    HG1  THR  23          HG1       THR  23   3.023  11.945   0.616
  185   1HG2  THR  23          HG23      THR  23   2.957  15.625   1.188
  186   2HG2  THR  23          HG21      THR  23   1.820  14.255   1.196
  187   3HG2  THR  23          HG22      THR  23   2.954  14.476   2.540
  188    H    GLY  24          H         GLY  24   4.121  11.484  -1.718
  189   1HA   GLY  24          HA2       GLY  24   6.909  11.419  -2.371
  190   2HA   GLY  24          HA3       GLY  24   5.632  10.370  -2.986
  191    H    LYS  25          H         LYS  25   7.933  12.514  -3.943
  192    HA   LYS  25          HA        LYS  25   6.526  13.825  -6.174
  193   1HB   LYS  25          HB2       LYS  25   9.509  13.719  -5.506
  194   2HB   LYS  25          HB3       LYS  25   8.702  14.764  -6.675
  195   1HG   LYS  25          HG2       LYS  25   8.855  16.260  -4.983
  196   2HG   LYS  25          HG3       LYS  25   7.301  15.541  -4.538
  197   1HD   LYS  25          HD2       LYS  25   8.494  14.092  -2.862
  198   2HD   LYS  25          HD3       LYS  25  10.045  14.734  -3.415
  199   1HE   LYS  25          HE2       LYS  25   9.330  15.789  -1.331
  200   2HE   LYS  25          HE3       LYS  25   9.384  16.994  -2.629
  201   1HZ   LYS  25          HZ3       LYS  25   6.952  15.596  -1.736
  202   2HZ   LYS  25          HZ1       LYS  25   7.399  17.108  -1.237
  203   3HZ   LYS  25          HZ2       LYS  25   7.032  16.833  -2.819
  204    H    VAL  26          H         VAL  26   7.514  13.457  -8.419
  205    HA   VAL  26          HA        VAL  26   7.647  10.555  -8.900
  206    HB   VAL  26          HB        VAL  26   7.512  12.924 -10.812
  207   1HG1  VAL  26          HG12      VAL  26   7.307   9.919 -11.265
  208   2HG1  VAL  26          HG13      VAL  26   6.765  11.133 -12.444
  209   3HG1  VAL  26          HG11      VAL  26   8.468  11.043 -12.003
  210   1HG2  VAL  26          HG22      VAL  26   5.386  11.002  -9.766
  211   2HG2  VAL  26          HG23      VAL  26   5.467  12.747  -9.454
  212   3HG2  VAL  26          HG21      VAL  26   5.137  12.164 -11.086
  213    H    SER  27          H         SER  27   9.371   9.509  -9.985
  214    HA   SER  27          HA        SER  27  11.797  10.990 -10.768
  215   1HB   SER  27          HB2       SER  27  11.831   8.815  -8.647
  216   2HB   SER  27          HB3       SER  27  13.252   9.547  -9.411
  217    HG   SER  27          HG        SER  27  11.699  11.532  -8.535
  218    H    GLY  28          H         GLY  28  10.584  10.267 -12.760
  219   1HA   GLY  28          HA2       GLY  28  10.485   8.838 -14.587
  220   2HA   GLY  28          HA3       GLY  28  11.743   7.830 -13.835
  221    H    ASP  29          H         ASP  29  10.649   5.776 -14.071
  222    HA   ASP  29          HA        ASP  29   7.897   5.481 -13.036
  223   1HB   ASP  29          HB2       ASP  29   8.622   4.138 -14.989
  224   2HB   ASP  29          HB3       ASP  29   9.858   3.356 -13.974
  225    HD2  ASP  29          HD        ASP  29   7.419   0.952 -13.498
  226    H    THR  30          H         THR  30   9.094   6.609 -11.027
  227    HA   THR  30          HA        THR  30   9.053   4.687  -8.900
  228    HB   THR  30          HB        THR  30  11.673   5.971  -9.770
  229    HG1  THR  30          HG1       THR  30  10.981   3.707 -10.190
  230   1HG2  THR  30          HG21      THR  30  11.149   4.997  -6.965
  231   2HG2  THR  30          HG22      THR  30  12.710   5.415  -7.691
  232   3HG2  THR  30          HG23      THR  30  11.491   6.676  -7.453
  233    H    VAL  31          H         VAL  31   8.884   5.886  -6.894
  234    HA   VAL  31          HA        VAL  31   8.254   8.768  -7.180
  235    HB   VAL  31          HB        VAL  31   6.748   6.532  -5.785
  236   1HG1  VAL  31          HG11      VAL  31   6.598   9.494  -5.081
  237   2HG1  VAL  31          HG12      VAL  31   5.468   8.253  -4.529
  238   3HG1  VAL  31          HG13      VAL  31   7.148   8.201  -3.990
  239   1HG2  VAL  31          HG21      VAL  31   5.878   8.874  -7.495
  240   2HG2  VAL  31          HG22      VAL  31   6.034   7.173  -7.996
  241   3HG2  VAL  31          HG23      VAL  31   4.823   7.629  -6.791
  242    H    THR  32          H         THR  32   8.910  10.036  -5.269
  243    HA   THR  32          HA        THR  32  10.987   8.746  -3.594
  244    HB   THR  32          HB        THR  32  11.323  11.148  -5.436
  245    HG1  THR  32          HG1       THR  32  12.372   9.841  -6.658
  246   1HG2  THR  32          HG23      THR  32  13.247   9.972  -3.380
  247   2HG2  THR  32          HG21      THR  32  13.705  11.115  -4.662
  248   3HG2  THR  32          HG22      THR  32  12.568  11.613  -3.403
  249    H    TYR  33          H         TYR  33  11.092   9.588  -1.590
  250    HA   TYR  33          HA        TYR  33   9.337  11.927  -0.928
  251   1HB   TYR  33          HB2       TYR  33  10.218   9.488   0.644
  252   2HB   TYR  33          HB3       TYR  33   9.542  10.938   1.385
  253    HD1  TYR  33          HD2       TYR  33   8.785   8.237  -1.128
  254    HD2  TYR  33          HD1       TYR  33   7.203  11.348   1.411
  255    HE1  TYR  33          HE2       TYR  33   6.465   7.555  -1.707
  256    HE2  TYR  33          HE1       TYR  33   4.935  10.424   1.083
  257    HH   TYR  33          HH        TYR  33   3.612   9.145  -0.225
  258    H    SER  34          H         SER  34  10.160  13.216   0.922
  259    HA   SER  34          HA        SER  34  13.053  13.413   1.282
  260   1HB   SER  34          HB2       SER  34  11.659  15.671  -0.224
  261   2HB   SER  34          HB3       SER  34  13.371  15.538   0.194
  262    HG   SER  34          HG        SER  34  13.034  13.411  -1.139
  263    H    GLY  35          H         GLY  35  11.111  12.969   3.185
  264   1HA   GLY  35          HA2       GLY  35  11.557  15.055   5.035
  265   2HA   GLY  35          HA3       GLY  35   9.891  15.170   4.404
  266    H    LYS  36          H         LYS  36  10.104  14.523   7.063
  267    HA   LYS  36          HA        LYS  36  10.362  11.669   7.477
  268   1HB   LYS  36          HB2       LYS  36   9.465  13.960   9.241
  269   2HB   LYS  36          HB3       LYS  36   9.340  12.276   9.741
  270   1HG   LYS  36          HG2       LYS  36  11.311  13.192  10.658
  271   2HG   LYS  36          HG3       LYS  36  11.712  11.904   9.522
  272   1HD   LYS  36          HD2       LYS  36  12.365  13.560   7.817
  273   2HD   LYS  36          HD3       LYS  36  11.908  14.896   8.899
  274   1HE   LYS  36          HE2       LYS  36  14.020  12.766   9.476
  275   2HE   LYS  36          HE3       LYS  36  14.369  14.383   8.837
  276   1HZ   LYS  36          HZ1       LYS  36  13.407  15.303  10.834
  277   2HZ   LYS  36          HZ2       LYS  36  13.157  13.791  11.443
  278   3HZ   LYS  36          HZ3       LYS  36  14.688  14.324  11.171
  279    H    THR  37          H         THR  37   7.608  13.871   6.864
  280    HA   THR  37          HA        THR  37   5.637  11.939   7.651
  281    HB   THR  37          HB        THR  37   5.228  14.408   5.921
  282    HG1  THR  37          HG1       THR  37   5.538  14.244   8.735
  283   1HG2  THR  37          HG21      THR  37   3.537  13.040   8.076
  284   2HG2  THR  37          HG22      THR  37   3.095  14.508   7.176
  285   3HG2  THR  37          HG23      THR  37   3.248  12.956   6.327
  286    H    VAL  38          H         VAL  38   6.575  10.147   6.334
  287    HA   VAL  38          HA        VAL  38   6.247  10.335   3.405
  288    HB   VAL  38          HB        VAL  38   7.379   8.212   5.223
  289   1HG1  VAL  38          HG11      VAL  38   6.989   8.177   2.191
  290   2HG1  VAL  38          HG12      VAL  38   8.176   7.179   3.035
  291   3HG1  VAL  38          HG13      VAL  38   6.453   6.954   3.347
  292   1HG2  VAL  38          HG23      VAL  38   8.680  10.282   4.868
  293   2HG2  VAL  38          HG21      VAL  38   9.460   8.876   4.123
  294   3HG2  VAL  38          HG22      VAL  38   8.583  10.051   3.126
  295    H    HIS  39          H         HIS  39   4.045  10.885   3.514
  296    HA   HIS  39          HA        HIS  39   2.090   8.879   4.343
  297   1HB   HIS  39          HB2       HIS  39   1.833  11.429   4.389
  298   2HB   HIS  39          HB3       HIS  39   1.613  11.356   2.639
  299    HD1  HIS  39          HD1       HIS  39  -0.920  11.237   2.044
  300    HD2  HIS  39          HD2       HIS  39   0.088   9.575   5.783
  301    HE1  HIS  39          HE1       HIS  39  -3.133  10.526   3.155
  302    HE2  HIS  39          HE2       HIS  39  -2.497   9.493   5.437
  303    H    VAL  40          H         VAL  40   1.801   7.059   3.112
  304    HA   VAL  40          HA        VAL  40   2.236   7.222   0.130
  305    HB   VAL  40          HB        VAL  40   2.471   4.839   1.991
  306   1HG1  VAL  40          HG13      VAL  40   2.931   5.139  -1.002
  307   2HG1  VAL  40          HG11      VAL  40   3.394   3.718  -0.037
  308   3HG1  VAL  40          HG12      VAL  40   1.689   4.144  -0.214
  309   1HG2  VAL  40          HG21      VAL  40   4.350   6.393   2.300
  310   2HG2  VAL  40          HG22      VAL  40   4.863   4.913   1.480
  311   3HG2  VAL  40          HG23      VAL  40   4.634   6.404   0.547
  312    H    VAL  41          H         VAL  41   0.242   7.558  -0.792
  313    HA   VAL  41          HA        VAL  41  -2.137   6.487   0.537
  314    HB   VAL  41          HB        VAL  41  -2.013   8.143  -1.983
  315   1HG1  VAL  41          HG11      VAL  41  -4.133   7.641   0.157
  316   2HG1  VAL  41          HG12      VAL  41  -4.302   8.786  -1.174
  317   3HG1  VAL  41          HG13      VAL  41  -4.175   7.056  -1.523
  318   1HG2  VAL  41          HG21      VAL  41  -0.779   9.337  -0.141
  319   2HG2  VAL  41          HG22      VAL  41  -2.284  10.099  -0.598
  320   3HG2  VAL  41          HG23      VAL  41  -2.212   9.129   0.890
  321    H    ALA  42          H         ALA  42  -2.239   4.300   0.226
  322    HA   ALA  42          HA        ALA  42  -1.799   3.116  -2.476
  323   1HB   ALA  42          HB1       ALA  42  -1.864   1.885   0.297
  324   2HB   ALA  42          HB2       ALA  42  -1.603   1.003  -1.224
  325   3HB   ALA  42          HB3       ALA  42  -0.429   2.222  -0.686
  326    H    ALA  43          H         ALA  43  -3.722   3.285  -3.633
  327    HA   ALA  43          HA        ALA  43  -6.228   2.515  -2.303
  328   1HB   ALA  43          HB3       ALA  43  -6.212   4.470  -3.788
  329   2HB   ALA  43          HB1       ALA  43  -5.784   3.416  -5.157
  330   3HB   ALA  43          HB2       ALA  43  -7.312   3.172  -4.287
  331    H    ALA  44          H         ALA  44  -6.601   0.349  -2.126
  332    HA   ALA  44          HA        ALA  44  -5.259  -1.521  -4.027
  333   1HB   ALA  44          HB2       ALA  44  -5.190  -1.939  -1.576
  334   2HB   ALA  44          HB3       ALA  44  -6.933  -2.255  -1.626
  335   3HB   ALA  44          HB1       ALA  44  -5.831  -3.269  -2.553
  336    H    VAL  45          H         VAL  45  -6.455  -0.755  -5.809
  337    HA   VAL  45          HA        VAL  45  -7.944  -1.129  -7.468
  338    HB   VAL  45          HB        VAL  45  -9.169  -3.264  -5.694
  339   1HG1  VAL  45          HG11      VAL  45 -10.594  -2.591  -7.605
  340   2HG1  VAL  45          HG12      VAL  45  -9.243  -2.929  -8.720
  341   3HG1  VAL  45          HG13      VAL  45  -9.976  -4.231  -7.773
  342   1HG2  VAL  45          HG22      VAL  45  -6.964  -3.471  -7.790
  343   2HG2  VAL  45          HG23      VAL  45  -6.743  -3.688  -6.041
  344   3HG2  VAL  45          HG21      VAL  45  -7.731  -4.831  -6.945
  345    H    LEU  46          H         LEU  46  -8.921   0.879  -7.502
  346    HA   LEU  46          HA        LEU  46 -10.908   1.615  -5.517
  347   1HB   LEU  46          HB2       LEU  46 -10.023   2.842  -8.161
  348   2HB   LEU  46          HB3       LEU  46 -11.246   3.593  -7.142
  349    HG   LEU  46          HG        LEU  46  -8.424   2.973  -6.200
  350   1HD1  LEU  46          HD11      LEU  46  -8.361   4.571  -8.067
  351   2HD1  LEU  46          HD12      LEU  46  -9.577   5.586  -7.260
  352   3HD1  LEU  46          HD13      LEU  46  -7.967   5.376  -6.540
  353   1HD2  LEU  46          HD21      LEU  46 -10.694   4.704  -5.080
  354   2HD2  LEU  46          HD22      LEU  46  -9.995   3.259  -4.316
  355   3HD2  LEU  46          HD23      LEU  46  -9.038   4.737  -4.461
  356    HA   PRO  47          HA        PRO  47 -14.431  -0.272  -7.392
  357   1HB   PRO  47          HB2       PRO  47 -16.473   1.474  -6.774
  358   2HB   PRO  47          HB3       PRO  47 -15.682   0.370  -5.607
  359   1HG   PRO  47          HG2       PRO  47 -15.061   3.288  -6.073
  360   2HG   PRO  47          HG3       PRO  47 -15.335   2.446  -4.513
  361   1HD   PRO  47          HD2       PRO  47 -12.837   2.920  -5.445
  362   2HD   PRO  47          HD3       PRO  47 -13.212   1.365  -4.638
  363    H    GLY  48          H         GLY  48 -14.232  -0.331  -9.489
  364   1HA   GLY  48          HA2       GLY  48 -15.407   0.936 -11.553
  365   2HA   GLY  48          HA3       GLY  48 -14.011   2.008 -11.235
  366    H    PHE  49          H         PHE  49 -12.144   0.299 -10.240
  367    HA   PHE  49          HA        PHE  49 -11.338  -1.374 -12.537
  368   1HB   PHE  49          HB2       PHE  49 -10.047  -0.803  -9.833
  369   2HB   PHE  49          HB3       PHE  49  -9.357  -1.827 -11.081
  370    HD1  PHE  49          HD2       PHE  49 -10.194   1.664 -10.155
  371    HD2  PHE  49          HD1       PHE  49  -8.341  -0.873 -13.104
  372    HE1  PHE  49          HE2       PHE  49  -9.163   3.655 -11.216
  373    HE2  PHE  49          HE1       PHE  49  -7.326   1.120 -14.175
  374    HZ   PHE  49          HZ        PHE  49  -7.726   3.385 -13.231
  375    HA   PRO  50          HA        PRO  50 -13.485  -4.635 -10.107
  376   1HB   PRO  50          HB2       PRO  50 -12.922  -6.821 -11.645
  377   2HB   PRO  50          HB3       PRO  50 -14.120  -5.585 -12.123
  378   1HG   PRO  50          HG2       PRO  50 -11.249  -5.823 -13.052
  379   2HG   PRO  50          HG3       PRO  50 -12.707  -5.544 -14.041
  380   1HD   PRO  50          HD2       PRO  50 -11.060  -3.512 -13.226
  381   2HD   PRO  50          HD3       PRO  50 -12.825  -3.275 -13.397
  382    H    PHE  51          H         PHE  51 -10.191  -4.778 -11.364
  383    HA   PHE  51          HA        PHE  51  -8.774  -5.535  -9.027
  384   1HB   PHE  51          HB2       PHE  51  -9.704  -7.555 -11.076
  385   2HB   PHE  51          HB3       PHE  51  -8.096  -7.768 -10.472
  386    HD1  PHE  51          HD2       PHE  51  -8.580  -7.046  -7.481
  387    HD2  PHE  51          HD1       PHE  51 -10.680  -9.564 -10.304
  388    HE1  PHE  51          HE2       PHE  51  -9.297  -8.509  -5.656
  389    HE2  PHE  51          HE1       PHE  51 -11.304 -11.081  -8.453
  390    HZ   PHE  51          HZ        PHE  51 -10.556 -10.596  -6.140
  391    HA   PRO  52          HA        PRO  52  -6.738  -6.798  -9.112
  392   1HB   PRO  52          HB2       PRO  52  -4.453  -7.839  -9.988
  393   2HB   PRO  52          HB3       PRO  52  -5.917  -8.139 -10.958
  394   1HG   PRO  52          HG2       PRO  52  -3.755  -6.075 -11.462
  395   2HG   PRO  52          HG3       PRO  52  -4.519  -7.184 -12.627
  396   1HD   PRO  52          HD2       PRO  52  -5.334  -4.515 -12.180
  397   2HD   PRO  52          HD3       PRO  52  -6.340  -5.795 -12.889
  398    H    SER  53          H         SER  53  -4.655  -4.112 -10.299
  399    HA   SER  53          HA        SER  53  -2.696  -4.683  -8.331
  400   1HB   SER  53          HB2       SER  53  -1.810  -2.452  -9.594
  401   2HB   SER  53          HB3       SER  53  -1.767  -4.065 -10.325
  402    HG   SER  53          HG        SER  53  -2.729  -2.567 -11.725
  403    H    PHE  54          H         PHE  54  -1.570  -3.222  -7.025
  404    HA   PHE  54          HA        PHE  54  -3.213  -1.499  -5.322
  405   1HB   PHE  54          HB2       PHE  54  -0.188  -1.954  -5.581
  406   2HB   PHE  54          HB3       PHE  54  -0.887  -0.769  -4.495
  407    HD1  PHE  54          HD2       PHE  54  -3.058  -2.022  -3.092
  408    HD2  PHE  54          HD1       PHE  54   0.879  -3.443  -4.122
  409    HE1  PHE  54          HE2       PHE  54  -3.148  -3.685  -1.237
  410    HE2  PHE  54          HE1       PHE  54   0.882  -4.872  -2.104
  411    HZ   PHE  54          HZ        PHE  54  -1.139  -4.983  -0.662
  412    H    GLU  55          H         GLU  55  -3.760   0.498  -6.000
  413    HA   GLU  55          HA        GLU  55  -2.183   1.804  -8.146
  414   1HB   GLU  55          HB2       GLU  55  -4.872   2.830  -7.400
  415   2HB   GLU  55          HB3       GLU  55  -4.000   2.600  -8.948
  416   1HG   GLU  55          HG2       GLU  55  -4.467   0.166  -8.891
  417   2HG   GLU  55          HG3       GLU  55  -5.399   0.389  -7.411
  418    HE1  GLU  55          HE        GLU  55  -7.009   1.437 -10.905
  419    H    VAL  56          H         VAL  56  -0.662   3.165  -7.172
  420    HA   VAL  56          HA        VAL  56  -1.307   4.143  -4.418
  421    HB   VAL  56          HB        VAL  56   1.452   3.588  -5.418
  422   1HG1  VAL  56          HG11      VAL  56   1.163   5.160  -3.475
  423   2HG1  VAL  56          HG12      VAL  56   0.396   3.845  -2.580
  424   3HG1  VAL  56          HG13      VAL  56   2.084   3.695  -3.094
  425   1HG2  VAL  56          HG23      VAL  56  -0.381   1.743  -3.827
  426   2HG2  VAL  56          HG21      VAL  56   0.335   1.410  -5.417
  427   3HG2  VAL  56          HG22      VAL  56   1.370   1.516  -3.990
  428    H    HIS  57          H         HIS  57  -1.702   6.206  -4.418
  429    HA   HIS  57          HA        HIS  57  -2.161   8.206  -5.466
  430   1HB   HIS  57          HB2       HIS  57  -0.172   9.752  -5.091
  431   2HB   HIS  57          HB3       HIS  57  -0.893   8.914  -3.738
  432    HD1  HIS  57          HD1       HIS  57   1.682   6.929  -5.762
  433    HD2  HIS  57          HD2       HIS  57   1.267   9.212  -2.238
  434    HE1  HIS  57          HE1       HIS  57   3.791   6.515  -4.367
  435    HE2  HIS  57          HE2       HIS  57   3.527   7.922  -2.228
  436    H    ASP  58          H         ASP  58   1.037   8.744  -6.681
  437    HA   ASP  58          HA        ASP  58  -0.044   9.651  -9.130
  438   1HB   ASP  58          HB2       ASP  58   2.004  10.565  -8.109
  439   2HB   ASP  58          HB3       ASP  58   2.853   9.034  -8.425
  440    HD1  ASP  58          HD        ASP  58   1.892  11.397 -11.553
  441    H    LYS  59          H         LYS  59   0.913   6.352  -8.309
  442    HA   LYS  59          HA        LYS  59   0.736   5.620 -11.182
  443   1HB   LYS  59          HB2       LYS  59   2.972   4.410  -9.589
  444   2HB   LYS  59          HB3       LYS  59   2.773   4.573 -11.332
  445   1HG   LYS  59          HG2       LYS  59   3.135   7.097 -10.957
  446   2HG   LYS  59          HG3       LYS  59   3.750   6.654  -9.332
  447   1HD   LYS  59          HD2       LYS  59   5.472   5.242 -10.341
  448   2HD   LYS  59          HD3       LYS  59   4.808   5.486 -11.958
  449   1HE   LYS  59          HE2       LYS  59   5.918   7.746 -10.219
  450   2HE   LYS  59          HE3       LYS  59   6.808   6.872 -11.464
  451   1HZ   LYS  59          HZ2       LYS  59   5.085   7.591 -13.031
  452   2HZ   LYS  59          HZ3       LYS  59   4.438   8.547 -11.844
  453   3HZ   LYS  59          HZ1       LYS  59   5.965   8.824 -12.389
  454    H    LYS  60          H         LYS  60   1.501   2.958 -10.918
  455    HA   LYS  60          HA        LYS  60  -0.205   1.839  -8.788
  456   1HB   LYS  60          HB2       LYS  60  -0.075   0.743 -11.607
  457   2HB   LYS  60          HB3       LYS  60  -1.066   0.154 -10.261
  458   1HG   LYS  60          HG2       LYS  60  -2.079   2.602 -10.323
  459   2HG   LYS  60          HG3       LYS  60  -1.411   2.657 -11.952
  460   1HD   LYS  60          HD2       LYS  60  -3.356   0.549 -10.885
  461   2HD   LYS  60          HD3       LYS  60  -3.806   1.940 -11.875
  462   1HE   LYS  60          HE2       LYS  60  -2.425   1.088 -13.741
  463   2HE   LYS  60          HE3       LYS  60  -1.921  -0.300 -12.755
  464   1HZ   LYS  60          HZ2       LYS  60  -4.679   0.313 -13.544
  465   2HZ   LYS  60          HZ3       LYS  60  -3.720  -0.853 -14.205
  466   3HZ   LYS  60          HZ1       LYS  60  -4.204  -0.973 -12.632
  467    H    ASN  61          H         ASN  61   0.768   0.297  -7.675
  468    HA   ASN  61          HA        ASN  61   2.607  -0.701  -6.719
  469   1HB   ASN  61          HB2       ASN  61   2.824  -1.693  -9.585
  470   2HB   ASN  61          HB3       ASN  61   3.759  -2.345  -8.262
  471   1HD2  ASN  61          HD22      ASN  61  -0.165  -3.338  -8.185
  472   2HD2  ASN  61          HD21      ASN  61   0.062  -1.566  -8.283
  473    HA   PRO  62          HA        PRO  62   5.700   2.252  -8.846
  474   1HB   PRO  62          HB2       PRO  62   5.862   4.317  -7.024
  475   2HB   PRO  62          HB3       PRO  62   4.730   4.301  -8.386
  476   1HG   PRO  62          HG2       PRO  62   4.200   3.479  -5.516
  477   2HG   PRO  62          HG3       PRO  62   3.209   4.548  -6.554
  478   1HD   PRO  62          HD2       PRO  62   2.632   1.878  -6.203
  479   2HD   PRO  62          HD3       PRO  62   2.381   2.716  -7.763
  480    H    THR  63          H         THR  63   7.821   2.555  -8.151
  481    HA   THR  63          HA        THR  63   8.694   1.012  -5.773
  482    HB   THR  63          HB        THR  63  10.059   2.228  -8.218
  483    HG1  THR  63          HG1       THR  63   8.888   0.232  -8.362
  484   1HG2  THR  63          HG21      THR  63  11.231   1.000  -5.721
  485   2HG2  THR  63          HG22      THR  63  12.082   0.979  -7.289
  486   3HG2  THR  63          HG23      THR  63  11.675   2.535  -6.540
  487    H    LEU  64          H         LEU  64   9.385   2.160  -3.928
  488    HA   LEU  64          HA        LEU  64   9.125   5.145  -4.040
  489   1HB   LEU  64          HB2       LEU  64   8.530   3.096  -1.900
  490   2HB   LEU  64          HB3       LEU  64   8.872   4.786  -1.524
  491    HG   LEU  64          HG        LEU  64   7.042   5.539  -3.001
  492   1HD1  LEU  64          HD12      LEU  64   6.461   2.555  -3.194
  493   2HD1  LEU  64          HD13      LEU  64   5.243   3.811  -3.489
  494   3HD1  LEU  64          HD11      LEU  64   6.670   3.720  -4.525
  495   1HD2  LEU  64          HD22      LEU  64   6.793   5.281  -0.546
  496   2HD2  LEU  64          HD23      LEU  64   5.281   4.965  -1.408
  497   3HD2  LEU  64          HD21      LEU  64   6.245   3.607  -0.783
  498    H    GLU  65          H         GLU  65  10.913   6.331  -3.698
  499    HA   GLU  65          HA        GLU  65  13.298   5.128  -2.346
  500   1HB   GLU  65          HB2       GLU  65  13.011   7.698  -3.938
  501   2HB   GLU  65          HB3       GLU  65  14.498   7.089  -3.192
  502   1HG   GLU  65          HG2       GLU  65  14.277   4.988  -4.563
  503   2HG   GLU  65          HG3       GLU  65  12.869   5.690  -5.363
  504    HE1  GLU  65          HE        GLU  65  13.483   8.090  -6.051
  505    H    ILE  66          H         ILE  66  13.331   5.418  -0.210
  506    HA   ILE  66          HA        ILE  66  11.798   7.663   0.989
  507    HB   ILE  66          HB        ILE  66  12.248   4.763   1.657
  508   1HG1  ILE  66          HG12      ILE  66   9.809   6.493   1.041
  509   2HG1  ILE  66          HG13      ILE  66  10.503   5.181   0.077
  510   1HG2  ILE  66          HG22      ILE  66  12.451   5.998   3.822
  511   2HG2  ILE  66          HG23      ILE  66  10.908   6.822   3.487
  512   3HG2  ILE  66          HG21      ILE  66  10.966   5.069   3.731
  513   1HD1  ILE  66          HD13      ILE  66   9.906   3.607   1.990
  514   2HD1  ILE  66          HD11      ILE  66   8.960   4.941   2.677
  515   3HD1  ILE  66          HD12      ILE  66   8.550   4.303   1.082
  516    HA   PRO  67          HA        PRO  67  15.563   8.619   3.273
  517   1HB   PRO  67          HB2       PRO  67  14.584  10.506   4.997
  518   2HB   PRO  67          HB3       PRO  67  14.977  10.804   3.280
  519   1HG   PRO  67          HG2       PRO  67  12.276  10.360   4.507
  520   2HG   PRO  67          HG3       PRO  67  12.735  11.469   3.196
  521   1HD   PRO  67          HD2       PRO  67  11.544   8.981   2.852
  522   2HD   PRO  67          HD3       PRO  67  12.551   9.789   1.609
  523    H    ALA  68          H         ALA  68  16.261   7.147   4.683
  524    HA   ALA  68          HA        ALA  68  14.924   5.401   6.330
  525   1HB   ALA  68          HB1       ALA  68  17.372   5.329   5.736
  526   2HB   ALA  68          HB2       ALA  68  17.649   6.651   6.882
  527   3HB   ALA  68          HB3       ALA  68  17.068   5.079   7.468
  528    H    GLY  69          H         GLY  69  14.219   5.285   8.451
  529   1HA   GLY  69          HA2       GLY  69  13.614   6.017  10.528
  530   2HA   GLY  69          HA3       GLY  69  14.669   7.422  10.349
  531    H    ALA  70          H         ALA  70  12.716   7.688   7.629
  532    HA   ALA  70          HA        ALA  70  11.044   9.712   8.738
  533   1HB   ALA  70          HB3       ALA  70  10.790   8.034   6.204
  534   2HB   ALA  70          HB1       ALA  70   9.839   9.481   6.578
  535   3HB   ALA  70          HB2       ALA  70  11.595   9.616   6.396
  536    H    THR  71          H         THR  71   8.683   9.680   8.854
  537    HA   THR  71          HA        THR  71   7.667   7.200  10.132
  538    HB   THR  71          HB        THR  71   6.474   9.993   9.978
  539    HG1  THR  71          HG1       THR  71   8.434   9.702  11.239
  540   1HG2  THR  71          HG21      THR  71   5.741   7.479  11.553
  541   2HG2  THR  71          HG22      THR  71   5.020   9.088  11.808
  542   3HG2  THR  71          HG23      THR  71   4.776   8.245  10.268
  543    H    VAL  72          H         VAL  72   7.317   5.838   8.496
  544    HA   VAL  72          HA        VAL  72   6.100   6.636   5.952
  545    HB   VAL  72          HB        VAL  72   6.971   3.919   7.043
  546   1HG1  VAL  72          HG12      VAL  72   6.032   4.844   4.269
  547   2HG1  VAL  72          HG13      VAL  72   6.757   3.262   4.619
  548   3HG1  VAL  72          HG11      VAL  72   5.200   3.701   5.330
  549   1HG2  VAL  72          HG23      VAL  72   8.819   5.621   6.569
  550   2HG2  VAL  72          HG21      VAL  72   8.842   4.196   5.504
  551   3HG2  VAL  72          HG22      VAL  72   8.211   5.746   4.921
  552    H    ASP  73          H         ASP  73   4.056   7.250   6.186
  553    HA   ASP  73          HA        ASP  73   2.135   5.619   7.799
  554   1HB   ASP  73          HB2       ASP  73   2.133   8.463   6.817
  555   2HB   ASP  73          HB3       ASP  73   0.596   7.590   6.964
  556    HD1  ASP  73          HD        ASP  73   0.876   6.936  10.354
  557    H    VAL  74          H         VAL  74   1.956   3.821   6.563
  558    HA   VAL  74          HA        VAL  74   1.438   4.016   3.671
  559    HB   VAL  74          HB        VAL  74   1.250   1.638   5.520
  560   1HG1  VAL  74          HG12      VAL  74   1.427   1.886   2.469
  561   2HG1  VAL  74          HG13      VAL  74   1.431   0.365   3.373
  562   3HG1  VAL  74          HG11      VAL  74  -0.013   1.383   3.381
  563   1HG2  VAL  74          HG21      VAL  74   3.579   2.608   3.848
  564   2HG2  VAL  74          HG22      VAL  74   3.503   2.343   5.617
  565   3HG2  VAL  74          HG23      VAL  74   3.432   0.968   4.517
  566    H    THR  75          H         THR  75  -0.385   4.955   3.241
  567    HA   THR  75          HA        THR  75  -2.749   4.748   5.003
  568    HB   THR  75          HB        THR  75  -1.975   6.787   2.903
  569    HG1  THR  75          HG1       THR  75  -0.586   6.765   4.680
  570   1HG2  THR  75          HG23      THR  75  -4.227   6.653   4.971
  571   2HG2  THR  75          HG21      THR  75  -3.791   8.104   4.045
  572   3HG2  THR  75          HG22      THR  75  -4.402   6.675   3.210
  573    H    PHE  76          H         PHE  76  -3.717   2.901   4.389
  574    HA   PHE  76          HA        PHE  76  -4.020   2.241   1.588
  575   1HB   PHE  76          HB2       PHE  76  -5.152   1.192   4.200
  576   2HB   PHE  76          HB3       PHE  76  -5.928   0.699   2.727
  577    HD1  PHE  76          HD1       PHE  76  -3.686   0.308   0.797
  578    HD2  PHE  76          HD2       PHE  76  -4.289  -1.018   4.862
  579    HE1  PHE  76          HE1       PHE  76  -3.759  -1.980   0.037
  580    HE2  PHE  76          HE2       PHE  76  -4.291  -3.363   4.060
  581    HZ   PHE  76          HZ        PHE  76  -4.265  -3.822   1.612
  582    H    ILE  77          H         ILE  77  -5.850   2.115   0.394
  583    HA   ILE  77          HA        ILE  77  -8.474   2.935   1.452
  584    HB   ILE  77          HB        ILE  77  -7.365   4.064  -1.161
  585   1HG1  ILE  77          HG12      ILE  77  -8.723   6.065   0.194
  586   2HG1  ILE  77          HG13      ILE  77  -8.050   5.188   1.547
  587   1HG2  ILE  77          HG21      ILE  77  -9.687   3.135  -1.451
  588   2HG2  ILE  77          HG22      ILE  77 -10.175   4.067  -0.018
  589   3HG2  ILE  77          HG23      ILE  77  -9.665   4.887  -1.510
  590   1HD1  ILE  77          HD11      ILE  77  -5.764   5.395   0.427
  591   2HD1  ILE  77          HD12      ILE  77  -6.558   6.364  -0.843
  592   3HD1  ILE  77          HD13      ILE  77  -6.513   6.955   0.828
  593    H    ASN  78          H         ASN  78  -8.601   0.692   1.726
  594    HA   ASN  78          HA        ASN  78  -8.446  -1.002  -0.748
  595   1HB   ASN  78          HB2       ASN  78  -7.074  -2.194   0.591
  596   2HB   ASN  78          HB3       ASN  78  -7.707  -1.626   2.091
  597   1HD2  ASN  78          HD21      ASN  78  -9.381  -4.670   2.588
  598   2HD2  ASN  78          HD22      ASN  78  -8.120  -3.590   3.093
  599    H    THR  79          H         THR  79 -10.346  -0.723  -1.712
  600    HA   THR  79          HA        THR  79 -12.763  -1.576  -0.291
  601    HB   THR  79          HB        THR  79 -12.650   1.207  -1.509
  602    HG1  THR  79          HG1       THR  79 -12.091   0.242   0.955
  603   1HG2  THR  79          HG21      THR  79 -14.890  -0.313  -0.092
  604   2HG2  THR  79          HG22      THR  79 -14.899   1.433  -0.412
  605   3HG2  THR  79          HG23      THR  79 -14.920   0.298  -1.753
  606    H    ASN  80          H         ASN  80 -11.473  -3.052  -1.964
  607    HA   ASN  80          HA        ASN  80 -12.361  -2.839  -4.715
  608   1HB   ASN  80          HB2       ASN  80 -10.402  -4.124  -3.713
  609   2HB   ASN  80          HB3       ASN  80 -11.559  -5.347  -3.189
  610   1HD2  ASN  80          HD22      ASN  80 -12.066  -5.718  -7.084
  611   2HD2  ASN  80          HD21      ASN  80 -13.159  -4.992  -5.907
  612    H    LYS  81          H         LYS  81 -13.781  -3.808  -1.722
  613    HA   LYS  81          HA        LYS  81 -15.878  -4.360  -1.115
  614   1HB   LYS  81          HB2       LYS  81 -16.634  -5.115  -3.957
  615   2HB   LYS  81          HB3       LYS  81 -17.684  -4.875  -2.568
  616   1HG   LYS  81          HG2       LYS  81 -17.099  -2.455  -2.515
  617   2HG   LYS  81          HG3       LYS  81 -16.055  -2.680  -3.927
  618   1HD   LYS  81          HD2       LYS  81 -18.127  -3.689  -5.107
  619   2HD   LYS  81          HD3       LYS  81 -19.071  -2.961  -3.799
  620   1HE   LYS  81          HE2       LYS  81 -17.224  -1.546  -5.783
  621   2HE   LYS  81          HE3       LYS  81 -18.992  -1.460  -5.732
  622   1HZ   LYS  81          HZ3       LYS  81 -18.826  -0.422  -3.595
  623   2HZ   LYS  81          HZ1       LYS  81 -17.177  -0.463  -3.652
  624   3HZ   LYS  81          HZ2       LYS  81 -18.015   0.457  -4.736
  625    H    GLY  82          H         GLY  82 -15.920  -6.295   0.011
  626   1HA   GLY  82          HA2       GLY  82 -15.887  -8.554   0.420
  627   2HA   GLY  82          HA3       GLY  82 -15.772  -8.868  -1.313
  628    H    PHE  83          H         PHE  83 -13.416  -7.853  -2.116
  629    HA   PHE  83          HA        PHE  83 -11.547  -9.740  -0.973
  630   1HB   PHE  83          HB2       PHE  83 -11.113  -7.607  -3.090
  631   2HB   PHE  83          HB3       PHE  83 -10.028  -8.934  -2.713
  632    HD1  PHE  83          HD1       PHE  83 -10.981 -11.359  -2.886
  633    HD2  PHE  83          HD2       PHE  83 -12.879  -7.923  -4.696
  634    HE1  PHE  83          HE1       PHE  83 -12.233 -12.848  -4.410
  635    HE2  PHE  83          HE2       PHE  83 -14.125  -9.418  -6.211
  636    HZ   PHE  83          HZ        PHE  83 -13.831 -11.885  -6.067
  637    H    GLY  84          H         GLY  84 -11.591  -8.848   1.185
  638   1HA   GLY  84          HA2       GLY  84 -10.453  -6.541   2.269
  639   2HA   GLY  84          HA3       GLY  84 -10.310  -8.149   2.929
  640    H    HIS  85          H         HIS  85  -8.775  -6.073   0.391
  641    HA   HIS  85          HA        HIS  85  -6.417  -7.575   0.273
  642   1HB   HIS  85          HB2       HIS  85  -6.721  -4.586  -0.142
  643   2HB   HIS  85          HB3       HIS  85  -5.306  -5.527  -0.595
  644    HD2  HIS  85          HD2       HIS  85  -8.564  -4.352  -1.932
  645    HE1  HIS  85          HE1       HIS  85  -7.178  -7.168  -4.772
  646    HE2  HIS  85          HE2       HIS  85  -8.857  -5.346  -4.328
  647    H    SER  86          H         SER  86  -4.448  -7.535   1.230
  648    HA   SER  86          HA        SER  86  -4.028  -6.116   3.805
  649   1HB   SER  86          HB2       SER  86  -2.180  -8.000   3.742
  650   2HB   SER  86          HB3       SER  86  -3.830  -8.463   4.143
  651    HG   SER  86          HG        SER  86  -3.596  -9.782   2.549
  652    H    PHE  87          H         PHE  87  -1.915  -5.068   3.953
  653    HA   PHE  87          HA        PHE  87  -0.332  -4.925   1.450
  654   1HB   PHE  87          HB2       PHE  87  -1.704  -2.925   1.684
  655   2HB   PHE  87          HB3       PHE  87  -0.966  -2.530   3.212
  656    HD1  PHE  87          HD2       PHE  87   1.812  -2.499   2.989
  657    HD2  PHE  87          HD1       PHE  87  -1.012  -1.736  -0.179
  658    HE1  PHE  87          HE2       PHE  87   3.496  -1.129   1.813
  659    HE2  PHE  87          HE1       PHE  87   0.703  -0.432  -1.385
  660    HZ   PHE  87          HZ        PHE  87   2.949  -0.086  -0.375
  661    H    ASP  88          H         ASP  88   1.554  -6.009   2.156
  662    HA   ASP  88          HA        ASP  88   2.527  -5.352   4.896
  663   1HB   ASP  88          HB2       ASP  88   2.244  -8.118   3.659
  664   2HB   ASP  88          HB3       ASP  88   3.151  -7.716   5.139
  665    HD1  ASP  88          HD        ASP  88  -0.862  -7.477   5.420
  666    H    ILE  89          H         ILE  89   4.689  -5.530   5.282
  667    HA   ILE  89          HA        ILE  89   6.353  -5.098   2.870
  668    HB   ILE  89          HB        ILE  89   6.467  -3.772   5.606
  669   1HG1  ILE  89          HG12      ILE  89   5.670  -2.714   2.858
  670   2HG1  ILE  89          HG13      ILE  89   4.566  -3.019   4.207
  671   1HG2  ILE  89          HG22      ILE  89   8.173  -3.339   3.118
  672   2HG2  ILE  89          HG23      ILE  89   8.250  -2.385   4.614
  673   3HG2  ILE  89          HG21      ILE  89   8.729  -4.067   4.643
  674   1HD1  ILE  89          HD13      ILE  89   5.821  -1.328   5.573
  675   2HD1  ILE  89          HD11      ILE  89   6.705  -0.884   4.087
  676   3HD1  ILE  89          HD12      ILE  89   4.956  -0.696   4.156
  677    H    THR  90          H         THR  90   8.287  -6.078   2.724
  678    HA   THR  90          HA        THR  90   9.668  -7.306   4.914
  679    HB   THR  90          HB        THR  90   8.051  -8.964   4.769
  680    HG1  THR  90          HG1       THR  90   9.307 -10.690   4.484
  681   1HG2  THR  90          HG23      THR  90   8.472  -9.165   1.752
  682   2HG2  THR  90          HG21      THR  90   7.505 -10.284   2.739
  683   3HG2  THR  90          HG22      THR  90   7.010  -8.600   2.577
  684    H    LYS  91          H         LYS  91  11.094  -9.131   3.120
  685    HA   LYS  91          HA        LYS  91  12.314  -7.163   1.197
  686   1HB   LYS  91          HB2       LYS  91  13.763  -9.227   2.898
  687   2HB   LYS  91          HB3       LYS  91  14.503  -8.137   1.709
  688   1HG   LYS  91          HG2       LYS  91  13.621  -6.181   3.045
  689   2HG   LYS  91          HG3       LYS  91  13.124  -7.312   4.309
  690   1HD   LYS  91          HD2       LYS  91  15.969  -6.894   3.272
  691   2HD   LYS  91          HD3       LYS  91  15.296  -6.209   4.756
  692   1HE   LYS  91          HE2       LYS  91  14.877  -8.541   5.611
  693   2HE   LYS  91          HE3       LYS  91  15.694  -9.184   4.173
  694   1HZ   LYS  91          HZ2       LYS  91  16.902  -7.416   6.174
  695   2HZ   LYS  91          HZ3       LYS  91  17.161  -9.037   6.025
  696   3HZ   LYS  91          HZ1       LYS  91  17.658  -8.012   4.834
  697    H    LYS  92          H         LYS  92  10.379  -9.752   1.175
  698    HA   LYS  92          HA        LYS  92  11.686 -11.562  -0.636
  699   1HB   LYS  92          HB2       LYS  92   8.727 -10.904  -0.333
  700   2HB   LYS  92          HB3       LYS  92   9.421 -12.286  -1.207
  701   1HG   LYS  92          HG2       LYS  92  10.516 -12.947   1.026
  702   2HG   LYS  92          HG3       LYS  92   9.447 -11.770   1.793
  703   1HD   LYS  92          HD2       LYS  92   8.641 -14.264   0.211
  704   2HD   LYS  92          HD3       LYS  92   8.488 -13.983   1.944
  705   1HE   LYS  92          HE2       LYS  92   6.318 -13.655   1.213
  706   2HE   LYS  92          HE3       LYS  92   6.918 -12.000   1.317
  707   1HZ   LYS  92          HZ2       LYS  92   6.726 -13.650  -1.115
  708   2HZ   LYS  92          HZ3       LYS  92   5.712 -12.422  -0.696
  709   3HZ   LYS  92          HZ1       LYS  92   7.280 -12.100  -1.072
  710    H    GLY  93          H         GLY  93  12.480 -10.924  -2.594
  711   1HA   GLY  93          HA2       GLY  93  11.254  -8.692  -4.085
  712   2HA   GLY  93          HA3       GLY  93  12.743  -9.569  -4.484
  713    HA   PRO  94          HA        PRO  94   9.144 -11.276  -7.022
  714   1HB   PRO  94          HB2       PRO  94   9.763 -10.188  -9.496
  715   2HB   PRO  94          HB3       PRO  94   8.729  -9.364  -8.297
  716   1HG   PRO  94          HG2       PRO  94  11.698  -8.990  -8.773
  717   2HG   PRO  94          HG3       PRO  94  10.440  -7.723  -8.658
  718   1HD   PRO  94          HD2       PRO  94  12.003  -8.405  -6.535
  719   2HD   PRO  94          HD3       PRO  94  10.272  -7.995  -6.309
  720    HA   PRO  95          HA        PRO  95   8.804 -12.241  -9.500
  721   1HB   PRO  95          HB2       PRO  95   8.486 -14.822 -10.264
  722   2HB   PRO  95          HB3       PRO  95   9.553 -13.686 -11.138
  723   1HG   PRO  95          HG2       PRO  95  10.357 -15.721  -9.040
  724   2HG   PRO  95          HG3       PRO  95  11.091 -15.463 -10.650
  725   1HD   PRO  95          HD2       PRO  95  12.135 -14.341  -8.381
  726   2HD   PRO  95          HD3       PRO  95  12.149 -13.457  -9.932
  727    H    TYR  96          H         TYR  96   6.920 -12.330  -8.378
  728    HA   TYR  96          HA        TYR  96   6.781 -13.821  -5.844
  729   1HB   TYR  96          HB2       TYR  96   4.807 -12.020  -7.277
  730   2HB   TYR  96          HB3       TYR  96   4.564 -12.723  -5.677
  731    HD1  TYR  96          HD2       TYR  96   6.457 -12.256  -3.906
  732    HD2  TYR  96          HD1       TYR  96   5.834  -9.878  -7.450
  733    HE1  TYR  96          HE2       TYR  96   7.882 -10.485  -2.964
  734    HE2  TYR  96          HE1       TYR  96   7.315  -8.123  -6.517
  735    HH   TYR  96          HH        TYR  96   8.905  -8.448  -3.343
  736    H    ALA  97          H         ALA  97   4.907 -15.241  -5.446
  737    HA   ALA  97          HA        ALA  97   3.898 -16.708  -7.808
  738   1HB   ALA  97          HB2       ALA  97   5.398 -17.969  -5.466
  739   2HB   ALA  97          HB3       ALA  97   4.574 -18.854  -6.770
  740   3HB   ALA  97          HB1       ALA  97   5.995 -17.856  -7.136
  741    H    VAL  98          H         VAL  98   2.228 -18.296  -7.027
  742    HA   VAL  98          HA        VAL  98   0.330 -16.854  -5.378
  743    HB   VAL  98          HB        VAL  98   0.114 -19.581  -6.707
  744   1HG1  VAL  98          HG12      VAL  98  -2.039 -17.566  -5.919
  745   2HG1  VAL  98          HG13      VAL  98  -2.312 -19.093  -6.774
  746   3HG1  VAL  98          HG11      VAL  98  -1.746 -19.116  -5.107
  747   1HG2  VAL  98          HG23      VAL  98  -0.478 -16.841  -7.876
  748   2HG2  VAL  98          HG21      VAL  98   0.729 -18.003  -8.452
  749   3HG2  VAL  98          HG22      VAL  98  -0.984 -18.380  -8.589
  750    H    MET  99          H         MET  99   2.141 -17.115  -3.581
  751    HA   MET  99          HA        MET  99   1.422 -19.395  -1.787
  752   1HB   MET  99          HB2       MET  99   4.221 -18.729  -2.693
  753   2HB   MET  99          HB3       MET  99   3.788 -19.788  -1.335
  754   1HG   MET  99          HG2       MET  99   2.401 -21.155  -3.009
  755   2HG   MET  99          HG3       MET  99   3.231 -20.245  -4.279
  756   1HE   MET  99          HE2       MET  99   5.897 -20.197  -4.454
  757   2HE   MET  99          HE3       MET  99   6.129 -19.991  -2.698
  758   3HE   MET  99          HE1       MET  99   6.970 -21.303  -3.557
  759    HA   PRO 100          HA        PRO 100   1.676 -15.571   0.726
  760   1HB   PRO 100          HB2       PRO 100   0.070 -17.404   2.537
  761   2HB   PRO 100          HB3       PRO 100  -0.128 -15.654   2.236
  762   1HG   PRO 100          HG2       PRO 100  -1.747 -17.419   1.051
  763   2HG   PRO 100          HG3       PRO 100  -1.031 -16.081   0.091
  764   1HD   PRO 100          HD2       PRO 100  -0.041 -18.965   0.293
  765   2HD   PRO 100          HD3       PRO 100  -0.358 -18.009  -1.183
  766    H    VAL 101          H         VAL 101   4.047 -16.415   0.712
  767    HA   VAL 101          HA        VAL 101   4.870 -17.887   3.124
  768    HB   VAL 101          HB        VAL 101   6.560 -16.235   1.201
  769   1HG1  VAL 101          HG12      VAL 101   7.278 -18.462   3.173
  770   2HG1  VAL 101          HG13      VAL 101   8.395 -17.694   2.029
  771   3HG1  VAL 101          HG11      VAL 101   7.707 -16.750   3.348
  772   1HG2  VAL 101          HG21      VAL 101   5.859 -19.206   1.176
  773   2HG2  VAL 101          HG22      VAL 101   5.419 -18.011  -0.062
  774   3HG2  VAL 101          HG23      VAL 101   7.110 -18.445   0.173
  775    H    ILE 102          H         ILE 102   3.328 -16.430   4.297
  776    HA   ILE 102          HA        ILE 102   4.078 -13.668   4.719
  777    HB   ILE 102          HB        ILE 102   2.181 -13.696   6.319
  778   1HG1  ILE 102          HG12      ILE 102   1.542 -16.485   5.292
  779   2HG1  ILE 102          HG13      ILE 102   2.277 -16.153   6.867
  780   1HG2  ILE 102          HG21      ILE 102   2.009 -13.002   3.949
  781   2HG2  ILE 102          HG22      ILE 102   1.669 -14.670   3.469
  782   3HG2  ILE 102          HG23      ILE 102   0.503 -13.780   4.465
  783   1HD1  ILE 102          HD13      ILE 102   0.315 -14.732   7.463
  784   2HD1  ILE 102          HD11      ILE 102  -0.456 -15.204   5.930
  785   3HD1  ILE 102          HD12      ILE 102  -0.093 -16.430   7.153
  786    H    ASP 103          H         ASP 103   4.688 -16.595   6.509
  787    HA   ASP 103          HA        ASP 103   5.204 -15.660   9.031
  788   1HB   ASP 103          HB2       ASP 103   6.891 -17.683   7.506
  789   2HB   ASP 103          HB3       ASP 103   7.009 -17.360   9.245
  790    HD2  ASP 103          HD        ASP 103   4.328 -19.390   9.914
  791    HA   PRO 104          HA        PRO 104   9.316 -13.498   8.061
  792   1HB   PRO 104          HB2       PRO 104  10.443 -13.404   5.603
  793   2HB   PRO 104          HB3       PRO 104  10.588 -14.843   6.645
  794   1HG   PRO 104          HG2       PRO 104   8.520 -14.393   4.460
  795   2HG   PRO 104          HG3       PRO 104   9.657 -15.770   4.613
  796   1HD   PRO 104          HD2       PRO 104   7.143 -15.956   5.582
  797   2HD   PRO 104          HD3       PRO 104   8.529 -16.599   6.511
  798    H    ILE 105          H         ILE 105   7.110 -12.211   8.334
  799    HA   ILE 105          HA        ILE 105   7.175 -10.016   6.311
  800    HB   ILE 105          HB        ILE 105   4.825 -11.152   7.798
  801   1HG1  ILE 105          HG12      ILE 105   5.570 -11.914   5.430
  802   2HG1  ILE 105          HG13      ILE 105   3.872 -11.475   5.662
  803   1HG2  ILE 105          HG23      ILE 105   4.988  -8.381   6.559
  804   2HG2  ILE 105          HG21      ILE 105   3.482  -9.238   6.972
  805   3HG2  ILE 105          HG22      ILE 105   4.627  -8.809   8.241
  806   1HD1  ILE 105          HD11      ILE 105   5.822  -9.413   4.596
  807   2HD1  ILE 105          HD12      ILE 105   5.116 -10.657   3.541
  808   3HD1  ILE 105          HD13      ILE 105   4.069  -9.534   4.400
  809    H    VAL 106          H         VAL 106   7.329  -7.910   7.097
  810    HA   VAL 106          HA        VAL 106   8.335  -7.812   9.907
  811    HB   VAL 106          HB        VAL 106   8.838  -5.946   7.549
  812   1HG1  VAL 106          HG12      VAL 106  10.054  -6.040  10.351
  813   2HG1  VAL 106          HG13      VAL 106  10.585  -4.991   9.023
  814   3HG1  VAL 106          HG11      VAL 106   8.989  -4.759   9.741
  815   1HG2  VAL 106          HG21      VAL 106  10.595  -8.050   8.875
  816   2HG2  VAL 106          HG22      VAL 106   9.931  -8.132   7.231
  817   3HG2  VAL 106          HG23      VAL 106  11.120  -6.892   7.637
  818    H    ALA 107          H         ALA 107   7.034  -5.174   7.949
  819    HA   ALA 107          HA        ALA 107   4.994  -4.631  10.081
  820   1HB   ALA 107          HB1       ALA 107   6.546  -2.737   9.645
  821   2HB   ALA 107          HB2       ALA 107   6.128  -2.777   7.921
  822   3HB   ALA 107          HB3       ALA 107   4.900  -2.344   9.125
  823    H    GLY 108          H         GLY 108   2.764  -4.064   9.241
  824   1HA   GLY 108          HA2       GLY 108   2.013  -3.988   6.628
  825   2HA   GLY 108          HA3       GLY 108   2.123  -5.734   6.973
  826    H    THR 109          H         THR 109  -0.241  -4.895   6.160
  827    HA   THR 109          HA        THR 109  -1.967  -4.604   8.584
  828    HB   THR 109          HB        THR 109  -3.649  -4.019   6.674
  829    HG1  THR 109          HG1       THR 109  -1.173  -3.566   5.338
  830   1HG2  THR 109          HG21      THR 109  -1.276  -2.295   7.439
  831   2HG2  THR 109          HG22      THR 109  -2.745  -1.672   6.643
  832   3HG2  THR 109          HG23      THR 109  -2.838  -2.386   8.270
  833    H    GLY 110          H         GLY 110  -3.111  -6.290   9.245
  834   1HA   GLY 110          HA2       GLY 110  -3.056  -8.811   7.738
  835   2HA   GLY 110          HA3       GLY 110  -3.737  -8.494   9.335
  836    H    PHE 111          H         PHE 111  -4.278  -7.298   6.004
  837    HA   PHE 111          HA        PHE 111  -6.035  -7.246   4.584
  838   1HB   PHE 111          HB2       PHE 111  -7.578  -9.085   6.378
  839   2HB   PHE 111          HB3       PHE 111  -7.779  -8.847   4.681
  840    HD1  PHE 111          HD2       PHE 111  -6.120  -9.819   3.028
  841    HD2  PHE 111          HD1       PHE 111  -5.991 -10.725   7.241
  842    HE1  PHE 111          HE2       PHE 111  -4.704 -11.814   2.580
  843    HE2  PHE 111          HE1       PHE 111  -4.437 -12.588   6.795
  844    HZ   PHE 111          HZ        PHE 111  -3.788 -13.140   4.461
  845    H    SER 112          H         SER 112  -6.837  -5.087   4.625
  846    HA   SER 112          HA        SER 112  -8.205  -4.180   7.024
  847   1HB   SER 112          HB2       SER 112  -8.378  -2.050   5.381
  848   2HB   SER 112          HB3       SER 112  -6.898  -2.495   6.239
  849    HG   SER 112          HG        SER 112  -6.444  -2.179   4.061
  850    HA   PRO 113          HA        PRO 113 -12.412  -4.641   6.008
  851   1HB   PRO 113          HB2       PRO 113 -12.892  -1.670   6.178
  852   2HB   PRO 113          HB3       PRO 113 -13.733  -2.982   7.051
  853   1HG   PRO 113          HG2       PRO 113 -11.902  -1.413   8.299
  854   2HG   PRO 113          HG3       PRO 113 -11.924  -3.183   8.600
  855   1HD   PRO 113          HD2       PRO 113 -10.134  -1.624   6.734
  856   2HD   PRO 113          HD3       PRO 113  -9.699  -2.894   7.909
  857    H    VAL 114          H         VAL 114 -14.112  -4.261   4.386
  858    HA   VAL 114          HA        VAL 114 -13.375  -2.629   2.008
  859    HB   VAL 114          HB        VAL 114 -14.247  -4.704   0.686
  860   1HG1  VAL 114          HG11      VAL 114 -12.063  -3.691   0.417
  861   2HG1  VAL 114          HG12      VAL 114 -11.462  -4.556   1.845
  862   3HG1  VAL 114          HG13      VAL 114 -11.949  -5.451   0.385
  863   1HG2  VAL 114          HG21      VAL 114 -14.759  -6.121   2.715
  864   2HG2  VAL 114          HG22      VAL 114 -13.593  -6.849   1.603
  865   3HG2  VAL 114          HG23      VAL 114 -13.021  -6.129   3.101
  866    HA   PRO 115          HA        PRO 115 -17.750  -1.794   3.139
  867   1HB   PRO 115          HB2       PRO 115 -16.793   0.586   1.544
  868   2HB   PRO 115          HB3       PRO 115 -17.969   0.569   2.895
  869   1HG   PRO 115          HG2       PRO 115 -15.416   1.316   3.400
  870   2HG   PRO 115          HG3       PRO 115 -16.185   0.113   4.479
  871   1HD   PRO 115          HD2       PRO 115 -14.297  -0.410   2.165
  872   2HD   PRO 115          HD3       PRO 115 -14.263  -1.084   3.815
  873    H    LYS 116          H         LYS 116 -19.582  -1.311   1.659
  874    HA   LYS 116          HA        LYS 116 -19.155  -2.622  -0.933
  875   1HB   LYS 116          HB2       LYS 116 -21.724  -1.946   0.534
  876   2HB   LYS 116          HB3       LYS 116 -21.590  -2.927  -0.938
  877   1HG   LYS 116          HG2       LYS 116 -20.089  -4.519   0.335
  878   2HG   LYS 116          HG3       LYS 116 -20.474  -3.641   1.819
  879   1HD   LYS 116          HD2       LYS 116 -22.483  -5.041  -0.011
  880   2HD   LYS 116          HD3       LYS 116 -21.860  -5.668   1.523
  881   1HE   LYS 116          HE2       LYS 116 -22.849  -3.681   2.706
  882   2HE   LYS 116          HE3       LYS 116 -23.563  -3.155   1.168
  883   1HZ   LYS 116          HZ1       LYS 116 -24.111  -5.699   2.514
  884   2HZ   LYS 116          HZ2       LYS 116 -25.104  -4.386   2.474
  885   3HZ   LYS 116          HZ3       LYS 116 -24.766  -5.202   1.084
  886    H    ASP 117          H         ASP 117 -19.748   0.422   0.246
  887    HA   ASP 117          HA        ASP 117 -19.474   1.857  -2.163
  888   1HB   ASP 117          HB2       ASP 117 -21.714   2.639  -2.652
  889   2HB   ASP 117          HB3       ASP 117 -21.794   0.884  -2.690
  890    HD1  ASP 117          HD        ASP 117 -23.739   0.773   0.265
  891    H    GLY 118          H         GLY 118 -19.817   4.182  -1.828
  892   1HA   GLY 118          HA2       GLY 118 -19.938   6.146  -0.720
  893   2HA   GLY 118          HA3       GLY 118 -20.831   5.382   0.591
  894    H    LYS 119          H         LYS 119 -19.284   3.708   1.826
  895    HA   LYS 119          HA        LYS 119 -17.261   5.397   3.059
  896   1HB   LYS 119          HB2       LYS 119 -18.389   2.657   3.712
  897   2HB   LYS 119          HB3       LYS 119 -17.014   3.358   4.582
  898   1HG   LYS 119          HG2       LYS 119 -18.349   5.305   5.215
  899   2HG   LYS 119          HG3       LYS 119 -19.764   4.644   4.366
  900   1HD   LYS 119          HD2       LYS 119 -19.707   2.641   5.844
  901   2HD   LYS 119          HD3       LYS 119 -18.296   3.291   6.694
  902   1HE   LYS 119          HE2       LYS 119 -21.049   4.619   6.574
  903   2HE   LYS 119          HE3       LYS 119 -20.423   3.666   7.929
  904   1HZ   LYS 119          HZ1       LYS 119 -18.654   5.258   8.161
  905   2HZ   LYS 119          HZ2       LYS 119 -19.260   6.168   6.927
  906   3HZ   LYS 119          HZ3       LYS 119 -20.128   5.978   8.312
  907    H    PHE 120          H         PHE 120 -15.104   4.618   3.433
  908    HA   PHE 120          HA        PHE 120 -13.960   2.845   1.319
  909   1HB   PHE 120          HB2       PHE 120 -13.629   5.759   1.855
  910   2HB   PHE 120          HB3       PHE 120 -12.178   4.919   1.424
  911    HD1  PHE 120          HD1       PHE 120 -12.167   3.530  -0.775
  912    HD2  PHE 120          HD2       PHE 120 -15.572   5.861   0.304
  913    HE1  PHE 120          HE1       PHE 120 -12.868   3.568  -3.146
  914    HE2  PHE 120          HE2       PHE 120 -16.416   5.715  -2.014
  915    HZ   PHE 120          HZ        PHE 120 -14.992   4.735  -3.787
  916    H    GLY 121          H         GLY 121 -12.933   1.304   2.384
  917   1HA   GLY 121          HA2       GLY 121 -12.168   1.361   5.148
  918   2HA   GLY 121          HA3       GLY 121 -11.721   0.149   3.944
  919    H    TYR 122          H         TYR 122 -10.495   2.606   5.930
  920    HA   TYR 122          HA        TYR 122  -8.008   2.706   4.362
  921   1HB   TYR 122          HB2       TYR 122  -7.685   4.993   4.532
  922   2HB   TYR 122          HB3       TYR 122  -9.370   4.864   4.103
  923    HD1  TYR 122          HD2       TYR 122 -10.946   4.890   6.296
  924    HD2  TYR 122          HD1       TYR 122  -6.924   6.368   6.215
  925    HE1  TYR 122          HE2       TYR 122 -11.489   6.465   8.169
  926    HE2  TYR 122          HE1       TYR 122  -7.415   7.843   8.127
  927    HH   TYR 122          HH        TYR 122  -9.013   8.592   9.606
  928    H    THR 123          H         THR 123  -6.155   3.218   5.508
  929    HA   THR 123          HA        THR 123  -6.087   2.889   8.414
  930    HB   THR 123          HB        THR 123  -5.378   0.647   6.460
  931    HG1  THR 123          HG1       THR 123  -6.993   0.887   8.719
  932   1HG2  THR 123          HG21      THR 123  -4.351   1.140   9.249
  933   2HG2  THR 123          HG22      THR 123  -4.481  -0.497   8.582
  934   3HG2  THR 123          HG23      THR 123  -3.435   0.702   7.802
  935    H    ASP 124          H         ASP 124  -4.664   4.485   8.772
  936    HA   ASP 124          HA        ASP 124  -2.285   4.999   7.051
  937   1HB   ASP 124          HB2       ASP 124  -3.371   6.336   9.563
  938   2HB   ASP 124          HB3       ASP 124  -1.887   6.795   8.758
  939    HD2  ASP 124          HD        ASP 124  -2.288   7.613   6.357
  940    H    PHE 125          H         PHE 125  -1.490   2.689   7.530
  941    HA   PHE 125          HA        PHE 125  -0.845   2.257  10.373
  942   1HB   PHE 125          HB2       PHE 125   0.045   0.228   9.962
  943   2HB   PHE 125          HB3       PHE 125  -1.444   0.338   9.055
  944    HD1  PHE 125          HD1       PHE 125  -1.316   0.399   6.501
  945    HD2  PHE 125          HD2       PHE 125   2.203  -0.084   8.954
  946    HE1  PHE 125          HE1       PHE 125  -0.267  -0.984   4.739
  947    HE2  PHE 125          HE2       PHE 125   3.281  -1.384   7.147
  948    HZ   PHE 125          HZ        PHE 125   2.024  -1.924   5.091
  949    H    THR 126          H         THR 126   1.010   2.723  11.304
  950    HA   THR 126          HA        THR 126   2.858   4.493   9.791
  951    HB   THR 126          HB        THR 126   2.280   4.317  12.766
  952    HG1  THR 126          HG1       THR 126   0.519   5.022  11.325
  953   1HG2  THR 126          HG21      THR 126   3.702   6.378  11.043
  954   2HG2  THR 126          HG22      THR 126   3.331   6.578  12.770
  955   3HG2  THR 126          HG23      THR 126   4.487   5.332  12.253
  956    H    TRP 127          H         TRP 127   4.907   3.848   9.414
  957    HA   TRP 127          HA        TRP 127   6.222   1.864  11.188
  958   1HB   TRP 127          HB2       TRP 127   5.361   0.638   9.267
  959   2HB   TRP 127          HB3       TRP 127   5.958   1.852   8.148
  960    HD1  TRP 127          HD1       TRP 127   7.799  -0.139  10.870
  961    HE1  TRP 127          HE1       TRP 127   9.847  -1.302   9.851
  962    HE3  TRP 127          HE3       TRP 127   7.163   1.264   6.016
  963    HZ2  TRP 127          HZ2       TRP 127  11.008  -1.626   7.204
  964    HZ3  TRP 127          HZ3       TRP 127   8.851   0.669   4.304
  965    HH2  TRP 127          HH2       TRP 127  10.713  -0.820   4.850
  966    H    HIS 128          H         HIS 128   8.575   1.940  11.025
  967    HA   HIS 128          HA        HIS 128   9.696   4.506  10.037
  968   1HB   HIS 128          HB2       HIS 128  10.283   3.115  12.655
  969   2HB   HIS 128          HB3       HIS 128  11.256   4.412  11.949
  970    HD1  HIS 128          HD1       HIS 128   7.890   3.899  13.691
  971    HD2  HIS 128          HD2       HIS 128  10.064   6.860  11.630
  972    HE1  HIS 128          HE1       HIS 128   6.606   6.104  13.998
  973    HE2  HIS 128          HE2       HIS 128   7.938   7.896  12.716
  974    HA   PRO 129          HA        PRO 129  11.842   1.073   8.015
  975   1HB   PRO 129          HB2       PRO 129  12.595   2.266   5.760
  976   2HB   PRO 129          HB3       PRO 129  10.863   2.150   6.171
  977   1HG   PRO 129          HG2       PRO 129  12.686   4.535   6.628
  978   2HG   PRO 129          HG3       PRO 129  11.094   4.518   5.842
  979   1HD   PRO 129          HD2       PRO 129  11.470   5.065   8.518
  980   2HD   PRO 129          HD3       PRO 129   9.969   4.308   7.873
  981    H    THR 130          H         THR 130  14.006   0.346   7.792
  982    HA   THR 130          HA        THR 130  16.218   2.057   8.772
  983    HB   THR 130          HB        THR 130  17.397  -0.182   8.734
  984    HG1  THR 130          HG1       THR 130  16.099  -1.123   7.126
  985   1HG2  THR 130          HG22      THR 130  16.267   0.624  10.794
  986   2HG2  THR 130          HG23      THR 130  14.761  -0.171  10.285
  987   3HG2  THR 130          HG21      THR 130  16.198  -1.145  10.648
  988    H    ALA 131          H         ALA 131  18.109   2.330   7.433
  989    HA   ALA 131          HA        ALA 131  17.645   2.670   4.676
  990   1HB   ALA 131          HB1       ALA 131  19.408   3.854   5.915
  991   2HB   ALA 131          HB2       ALA 131  20.331   2.338   6.044
  992   3HB   ALA 131          HB3       ALA 131  20.020   3.071   4.450
  993    H    GLY 132          H         GLY 132  18.430   1.561   2.854
  994   1HA   GLY 132          HA2       GLY 132  19.573  -0.296   1.824
  995   2HA   GLY 132          HA3       GLY 132  18.911  -1.387   3.075
  996    H    THR 133          H         THR 133  17.064  -2.489   2.284
  997    HA   THR 133          HA        THR 133  15.199  -1.083   0.560
  998    HB   THR 133          HB        THR 133  16.724  -3.503  -0.502
  999    HG1  THR 133          HG1       THR 133  17.118  -0.765  -0.740
 1000   1HG2  THR 133          HG22      THR 133  14.674  -1.676  -1.837
 1001   2HG2  THR 133          HG23      THR 133  15.645  -2.908  -2.662
 1002   3HG2  THR 133          HG21      THR 133  14.457  -3.399  -1.451
 1003    H    TYR 134          H         TYR 134  13.253  -2.109   0.340
 1004    HA   TYR 134          HA        TYR 134  12.692  -4.696   1.595
 1005   1HB   TYR 134          HB2       TYR 134  11.358  -2.040   2.293
 1006   2HB   TYR 134          HB3       TYR 134  10.626  -3.589   2.634
 1007    HD1  TYR 134          HD2       TYR 134  13.268  -1.209   3.577
 1008    HD2  TYR 134          HD1       TYR 134  11.351  -4.957   4.504
 1009    HE1  TYR 134          HE2       TYR 134  13.981  -1.007   5.917
 1010    HE2  TYR 134          HE1       TYR 134  12.226  -4.833   6.805
 1011    HH   TYR 134          HH        TYR 134  14.304  -2.215   7.974
 1012    H    TYR 135          H         TYR 135  10.266  -5.108   1.030
 1013    HA   TYR 135          HA        TYR 135   9.427  -3.966  -1.533
 1014   1HB   TYR 135          HB2       TYR 135   9.711  -6.926  -0.886
 1015   2HB   TYR 135          HB3       TYR 135   8.742  -6.302  -2.213
 1016    HD1  TYR 135          HD1       TYR 135  12.235  -6.625  -0.949
 1017    HD2  TYR 135          HD2       TYR 135   9.713  -5.698  -4.314
 1018    HE1  TYR 135          HE1       TYR 135  14.177  -6.849  -2.449
 1019    HE2  TYR 135          HE2       TYR 135  11.662  -5.965  -5.829
 1020    HH   TYR 135          HH        TYR 135  14.926  -6.758  -4.633
 1021    H    TYR 136          H         TYR 136   7.116  -4.085  -1.723
 1022    HA   TYR 136          HA        TYR 136   5.665  -4.919   0.741
 1023   1HB   TYR 136          HB2       TYR 136   3.929  -3.357   0.219
 1024   2HB   TYR 136          HB3       TYR 136   5.457  -2.537   0.494
 1025    HD1  TYR 136          HD1       TYR 136   6.655  -1.425  -1.355
 1026    HD2  TYR 136          HD2       TYR 136   2.785  -3.213  -1.945
 1027    HE1  TYR 136          HE1       TYR 136   6.204   0.167  -3.203
 1028    HE2  TYR 136          HE2       TYR 136   2.389  -1.673  -3.880
 1029    HH   TYR 136          HH        TYR 136   4.749   0.750  -4.888
 1030    H    VAL 137          H         VAL 137   3.782  -6.155   0.433
 1031    HA   VAL 137          HA        VAL 137   2.982  -6.948  -2.265
 1032    HB   VAL 137          HB        VAL 137   3.153  -9.330  -1.790
 1033   1HG1  VAL 137          HG11      VAL 137   5.012  -8.280  -3.025
 1034   2HG1  VAL 137          HG12      VAL 137   5.907  -8.077  -1.500
 1035   3HG1  VAL 137          HG13      VAL 137   5.502  -9.695  -2.087
 1036   1HG2  VAL 137          HG21      VAL 137   4.711  -8.538   0.721
 1037   2HG2  VAL 137          HG22      VAL 137   3.131  -9.350   0.687
 1038   3HG2  VAL 137          HG23      VAL 137   4.561 -10.182   0.076
 1039    H    CYS 138          H         CYS 138   0.804  -7.782  -2.316
 1040    HA   CYS 138          HA        CYS 138  -0.763  -7.559   0.186
 1041   1HB   CYS 138          HB2       CYS 138  -1.724  -6.869  -1.975
 1042   2HB   CYS 138          HB3       CYS 138  -1.446  -8.496  -2.602
 1043    H    GLN 139          H         GLN 139  -1.597  -9.371   1.372
 1044    HA   GLN 139          HA        GLN 139   0.098 -11.749   1.157
 1045   1HB   GLN 139          HB2       GLN 139  -2.193 -11.155   3.057
 1046   2HB   GLN 139          HB3       GLN 139  -1.014 -12.452   3.206
 1047   1HG   GLN 139          HG2       GLN 139   0.806 -10.822   3.497
 1048   2HG   GLN 139          HG3       GLN 139  -0.312  -9.484   3.235
 1049   1HE2  GLN 139          HE21      GLN 139  -0.157 -11.240   6.909
 1050   2HE2  GLN 139          HE22      GLN 139   0.772 -11.904   5.580
 1051    H    ILE 140          H         ILE 140  -3.051 -10.959  -0.102
 1052    HA   ILE 140          HA        ILE 140  -4.192 -13.567   0.036
 1053    HB   ILE 140          HB        ILE 140  -4.696 -11.305  -1.899
 1054   1HG1  ILE 140          HG12      ILE 140  -6.094 -12.204   0.656
 1055   2HG1  ILE 140          HG13      ILE 140  -5.154 -10.719   0.438
 1056   1HG2  ILE 140          HG21      ILE 140  -5.459 -13.509  -2.834
 1057   2HG2  ILE 140          HG22      ILE 140  -6.419 -13.765  -1.360
 1058   3HG2  ILE 140          HG23      ILE 140  -6.804 -12.443  -2.472
 1059   1HD1  ILE 140          HD13      ILE 140  -6.858  -9.935  -1.227
 1060   2HD1  ILE 140          HD11      ILE 140  -7.846 -11.358  -0.818
 1061   3HD1  ILE 140          HD12      ILE 140  -7.472 -10.157   0.416
 1062    HA   PRO 141          HA        PRO 141  -1.279 -15.990  -2.159
 1063   1HB   PRO 141          HB2       PRO 141  -3.742 -16.998  -3.628
 1064   2HB   PRO 141          HB3       PRO 141  -2.303 -17.919  -3.099
 1065   1HG   PRO 141          HG2       PRO 141  -4.567 -17.797  -1.579
 1066   2HG   PRO 141          HG3       PRO 141  -2.952 -17.765  -0.838
 1067   1HD   PRO 141          HD2       PRO 141  -4.904 -15.548  -1.160
 1068   2HD   PRO 141          HD3       PRO 141  -3.593 -15.735   0.038
 1069    H    GLY 142          H         GLY 142  -3.586 -15.371  -4.863
 1070   1HA   GLY 142          HA2       GLY 142  -1.333 -15.144  -6.649
 1071   2HA   GLY 142          HA3       GLY 142  -3.041 -14.962  -7.057
 1072    H    HIS 143          H         HIS 143  -2.456 -12.759  -4.538
 1073    HA   HIS 143          HA        HIS 143  -2.783 -10.613  -6.486
 1074   1HB   HIS 143          HB2       HIS 143  -2.581 -10.639  -3.466
 1075   2HB   HIS 143          HB3       HIS 143  -2.751  -9.206  -4.440
 1076    HD2  HIS 143          HD2       HIS 143  -4.812 -12.108  -5.825
 1077    HE1  HIS 143          HE1       HIS 143  -7.538  -9.598  -3.765
 1078    HE2  HIS 143          HE2       HIS 143  -7.307 -11.564  -5.351
 1079    H    ALA 144          H         ALA 144  -0.174 -11.529  -4.172
 1080    HA   ALA 144          HA        ALA 144   1.679  -9.523  -5.038
 1081   1HB   ALA 144          HB3       ALA 144   1.965 -10.895  -2.992
 1082   2HB   ALA 144          HB1       ALA 144   2.369 -12.295  -4.014
 1083   3HB   ALA 144          HB2       ALA 144   3.393 -10.835  -4.048
 1084    H    ALA 145          H         ALA 145   0.941 -12.851  -6.164
 1085    HA   ALA 145          HA        ALA 145   2.954 -13.114  -8.114
 1086   1HB   ALA 145          HB2       ALA 145   1.430 -14.937  -7.285
 1087   2HB   ALA 145          HB3       ALA 145   0.152 -14.270  -8.316
 1088   3HB   ALA 145          HB1       ALA 145   1.642 -14.885  -9.044
 1089    H    THR 146          H         THR 146  -0.374 -11.772  -8.486
 1090    HA   THR 146          HA        THR 146   0.058 -11.258 -11.308
 1091    HB   THR 146          HB        THR 146  -2.186 -10.127 -11.141
 1092    HG1  THR 146          HG1       THR 146  -2.248 -11.267  -8.557
 1093   1HG2  THR 146          HG21      THR 146  -1.938 -13.003 -10.139
 1094   2HG2  THR 146          HG22      THR 146  -3.411 -12.256 -10.793
 1095   3HG2  THR 146          HG23      THR 146  -1.987 -12.465 -11.826
 1096    H    GLY 147          H         GLY 147  -0.481  -8.954  -8.521
 1097   1HA   GLY 147          HA2       GLY 147   1.418  -7.064  -9.551
 1098   2HA   GLY 147          HA3       GLY 147  -0.151  -6.708 -10.273
 1099    H    MET 148          H         MET 148   0.299  -7.888  -6.910
 1100    HA   MET 148          HA        MET 148  -0.378  -5.125  -5.925
 1101   1HB   MET 148          HB2       MET 148  -0.918  -7.792  -4.591
 1102   2HB   MET 148          HB3       MET 148  -1.397  -6.165  -4.057
 1103   1HG   MET 148          HG2       MET 148  -2.503  -6.154  -6.464
 1104   2HG   MET 148          HG3       MET 148  -2.548  -7.884  -6.234
 1105   1HE   MET 148          HE2       MET 148  -4.106  -4.515  -5.726
 1106   2HE   MET 148          HE3       MET 148  -5.070  -4.612  -4.242
 1107   3HE   MET 148          HE1       MET 148  -3.288  -4.604  -4.151
 1108    H    PHE 149          H         PHE 149   2.074  -4.851  -6.311
 1109    HA   PHE 149          HA        PHE 149   3.385  -5.279  -3.783
 1110   1HB   PHE 149          HB2       PHE 149   5.268  -6.633  -4.726
 1111   2HB   PHE 149          HB3       PHE 149   3.749  -7.455  -4.875
 1112    HD1  PHE 149          HD1       PHE 149   6.312  -5.540  -6.825
 1113    HD2  PHE 149          HD2       PHE 149   2.792  -8.021  -7.002
 1114    HE1  PHE 149          HE1       PHE 149   6.737  -5.982  -9.220
 1115    HE2  PHE 149          HE2       PHE 149   3.317  -8.600  -9.348
 1116    HZ   PHE 149          HZ        PHE 149   5.267  -7.546 -10.481
 1117    H    GLY 150          H         GLY 150   5.932  -4.576  -4.179
 1118   1HA   GLY 150          HA2       GLY 150   6.845  -2.912  -6.255
 1119   2HA   GLY 150          HA3       GLY 150   5.929  -1.860  -5.191
 1120    H    LYS 151          H         LYS 151   8.500  -1.332  -5.462
 1121    HA   LYS 151          HA        LYS 151  10.121  -2.703  -3.379
 1122   1HB   LYS 151          HB2       LYS 151  10.675  -1.115  -5.870
 1123   2HB   LYS 151          HB3       LYS 151  11.890  -1.120  -4.575
 1124   1HG   LYS 151          HG2       LYS 151  11.995  -3.514  -4.592
 1125   2HG   LYS 151          HG3       LYS 151  10.750  -3.625  -5.861
 1126   1HD   LYS 151          HD2       LYS 151  13.466  -2.242  -6.159
 1127   2HD   LYS 151          HD3       LYS 151  13.130  -3.906  -6.660
 1128   1HE   LYS 151          HE2       LYS 151  11.352  -3.067  -8.217
 1129   2HE   LYS 151          HE3       LYS 151  11.786  -1.405  -7.786
 1130   1HZ   LYS 151          HZ2       LYS 151  13.978  -1.812  -8.605
 1131   2HZ   LYS 151          HZ3       LYS 151  13.581  -3.356  -9.025
 1132   3HZ   LYS 151          HZ1       LYS 151  12.850  -2.083  -9.773
 1133    H    ILE 152          H         ILE 152  11.095  -1.598  -1.746
 1134    HA   ILE 152          HA        ILE 152  10.474   1.300  -1.302
 1135    HB   ILE 152          HB        ILE 152  10.414  -1.088   0.560
 1136   1HG1  ILE 152          HG12      ILE 152   8.441   1.175   0.617
 1137   2HG1  ILE 152          HG13      ILE 152   8.314  -0.043  -0.658
 1138   1HG2  ILE 152          HG22      ILE 152  10.950   1.817   1.210
 1139   2HG2  ILE 152          HG23      ILE 152  10.114   0.791   2.389
 1140   3HG2  ILE 152          HG21      ILE 152  11.735   0.367   1.865
 1141   1HD1  ILE 152          HD11      ILE 152   8.418  -0.718   2.321
 1142   2HD1  ILE 152          HD12      ILE 152   6.938  -0.614   1.345
 1143   3HD1  ILE 152          HD13      ILE 152   8.162  -1.847   0.980
 1144    H    VAL 153          H         VAL 153  12.493   2.133  -1.931
 1145    HA   VAL 153          HA        VAL 153  14.964   0.760  -0.942
 1146    HB   VAL 153          HB        VAL 153  14.790   3.276  -2.587
 1147   1HG1  VAL 153          HG12      VAL 153  16.991   1.178  -2.097
 1148   2HG1  VAL 153          HG13      VAL 153  17.154   2.582  -3.173
 1149   3HG1  VAL 153          HG11      VAL 153  16.944   2.810  -1.433
 1150   1HG2  VAL 153          HG23      VAL 153  15.006   0.397  -3.613
 1151   2HG2  VAL 153          HG21      VAL 153  13.692   1.544  -3.961
 1152   3HG2  VAL 153          HG22      VAL 153  15.313   1.844  -4.598
 1153    H    VAL 154          H         VAL 154  16.096   1.761   0.776
 1154    HA   VAL 154          HA        VAL 154  14.874   4.255   1.876
 1155    HB   VAL 154          HB        VAL 154  15.872   1.901   3.482
 1156   1HG1  VAL 154          HG12      VAL 154  15.840   4.191   4.527
 1157   2HG1  VAL 154          HG13      VAL 154  14.113   4.314   4.162
 1158   3HG1  VAL 154          HG11      VAL 154  14.694   3.096   5.310
 1159   1HG2  VAL 154          HG21      VAL 154  13.001   2.562   2.728
 1160   2HG2  VAL 154          HG22      VAL 154  13.918   1.107   2.256
 1161   3HG2  VAL 154          HG23      VAL 154  13.514   1.366   3.944
 1162    H    LYS 155          H         LYS 155  16.469   5.867   2.077
 1163    HA   LYS 155          HA        LYS 155  19.245   5.016   2.718
 1164   1HB   LYS 155          HB2       LYS 155  18.610   6.792   0.327
 1165   2HB   LYS 155          HB3       LYS 155  20.222   6.377   0.932
 1166   1HG   LYS 155          HG2       LYS 155  18.267   4.356  -0.229
 1167   2HG   LYS 155          HG3       LYS 155  19.515   5.175  -1.157
 1168   1HD   LYS 155          HD2       LYS 155  21.300   4.173   0.092
 1169   2HD   LYS 155          HD3       LYS 155  20.195   3.516   1.309
 1170   1HE   LYS 155          HE2       LYS 155  19.124   2.072  -0.370
 1171   2HE   LYS 155          HE3       LYS 155  20.207   2.705  -1.628
 1172   1HZ   LYS 155          HZ3       LYS 155  21.029   1.244   0.785
 1173   2HZ   LYS 155          HZ1       LYS 155  20.959   0.628  -0.742
 1174   3HZ   LYS 155          HZ2       LYS 155  22.044   1.815  -0.383
   
  No H/Q in entry =        1174
  Start of MODEL    6
    1    H    GLY   1          H         GLY   1   2.310 -12.534  11.438
    2   1HA   GLY   1          HA2       GLY   1   0.062 -12.993  11.626
    3   2HA   GLY   1          HA3       GLY   1   0.421 -13.444  13.305
    4    H    THR   2          H         THR   2   1.359 -10.808  14.127
    5    HA   THR   2          HA        THR   2  -1.110  -9.593  14.947
    6    HB   THR   2          HB        THR   2   0.607  -7.781  15.661
    7    HG1  THR   2          HG1       THR   2   2.776  -8.532  15.508
    8   1HG2  THR   2          HG23      THR   2   1.033 -10.663  16.602
    9   2HG2  THR   2          HG21      THR   2   1.508  -9.197  17.483
   10   3HG2  THR   2          HG22      THR   2  -0.209  -9.546  17.206
   11    H    LEU   3          H         LEU   3   1.474  -8.664  12.683
   12    HA   LEU   3          HA        LEU   3   1.611  -7.085  11.030
   13   1HB   LEU   3          HB2       LEU   3  -0.911  -8.586  10.677
   14   2HB   LEU   3          HB3       LEU   3  -0.817  -7.162   9.659
   15    HG   LEU   3          HG        LEU   3   1.340  -7.948   8.742
   16   1HD1  LEU   3          HD11      LEU   3   0.957 -10.344  10.581
   17   2HD1  LEU   3          HD12      LEU   3   2.116 -10.279   9.239
   18   3HD1  LEU   3          HD13      LEU   3   2.312  -9.192  10.613
   19   1HD2  LEU   3          HD21      LEU   3  -0.805  -8.727   7.708
   20   2HD2  LEU   3          HD22      LEU   3   0.474  -9.939   7.539
   21   3HD2  LEU   3          HD23      LEU   3  -0.795 -10.147   8.763
   22    H    ASP   4          H         ASP   4  -1.741  -6.115  11.187
   23    HA   ASP   4          HA        ASP   4  -1.502  -4.117  13.147
   24   1HB   ASP   4          HB2       ASP   4  -0.056  -2.886  11.587
   25   2HB   ASP   4          HB3       ASP   4  -1.186  -3.171  10.261
   26    HD1  ASP   4          HD        ASP   4  -2.064  -0.360  12.986
   27    H    THR   5          H         THR   5  -3.590  -3.173  13.427
   28    HA   THR   5          HA        THR   5  -5.812  -4.210  11.728
   29    HB   THR   5          HB        THR   5  -6.936  -4.556  13.977
   30    HG1  THR   5          HG1       THR   5  -5.488  -4.624  15.758
   31   1HG2  THR   5          HG23      THR   5  -5.867  -6.443  12.707
   32   2HG2  THR   5          HG21      THR   5  -4.364  -6.176  13.617
   33   3HG2  THR   5          HG22      THR   5  -5.836  -6.671  14.466
   34    H    THR   6          H         THR   6  -4.421  -1.448  11.911
   35    HA   THR   6          HA        THR   6  -6.288   0.208  13.402
   36    HB   THR   6          HB        THR   6  -4.025   1.062  11.526
   37    HG1  THR   6          HG1       THR   6  -4.022   0.400  14.286
   38   1HG2  THR   6          HG22      THR   6  -5.423   2.352  13.931
   39   2HG2  THR   6          HG23      THR   6  -4.010   3.019  13.078
   40   3HG2  THR   6          HG21      THR   6  -5.567   2.874  12.243
   41    H    TRP   7          H         TRP   7  -8.027  -0.847  12.122
   42    HA   TRP   7          HA        TRP   7  -8.504  -0.053   9.333
   43   1HB   TRP   7          HB2       TRP   7 -10.146  -1.553  11.425
   44   2HB   TRP   7          HB3       TRP   7 -10.654  -1.308   9.767
   45    HD1  TRP   7          HD1       TRP   7 -10.926  -4.016  10.118
   46    HE1  TRP   7          HE1       TRP   7  -9.360  -5.878   9.312
   47    HE3  TRP   7          HE3       TRP   7  -6.565  -1.330   9.555
   48    HZ2  TRP   7          HZ2       TRP   7  -6.549  -6.205   8.742
   49    HZ3  TRP   7          HZ3       TRP   7  -4.463  -2.503   9.158
   50    HH2  TRP   7          HH2       TRP   7  -4.488  -4.872   8.514
   51    H    LYS   8          H         LYS   8  -9.873   1.605   8.635
   52    HA   LYS   8          HA        LYS   8 -12.008   2.594  10.363
   53   1HB   LYS   8          HB2       LYS   8  -9.662   4.341   9.485
   54   2HB   LYS   8          HB3       LYS   8 -11.258   5.004   9.883
   55   1HG   LYS   8          HG2       LYS   8 -11.120   3.938  12.135
   56   2HG   LYS   8          HG3       LYS   8  -9.448   3.475  11.800
   57   1HD   LYS   8          HD2       LYS   8 -10.360   6.368  11.594
   58   2HD   LYS   8          HD3       LYS   8  -9.883   5.640  13.136
   59   1HE   LYS   8          HE2       LYS   8  -7.668   5.055  12.252
   60   2HE   LYS   8          HE3       LYS   8  -8.098   5.708  10.667
   61   1HZ   LYS   8          HZ3       LYS   8  -8.363   7.855  11.715
   62   2HZ   LYS   8          HZ1       LYS   8  -7.940   7.227  13.175
   63   3HZ   LYS   8          HZ2       LYS   8  -6.841   7.264  11.949
   64    H    GLU   9          H         GLU   9 -13.239   4.381   8.922
   65    HA   GLU   9          HA        GLU   9 -12.760   3.913   6.098
   66   1HB   GLU   9          HB2       GLU   9 -15.648   3.753   6.926
   67   2HB   GLU   9          HB3       GLU   9 -14.862   3.371   5.392
   68   1HG   GLU   9          HG2       GLU   9 -15.485   1.266   6.360
   69   2HG   GLU   9          HG3       GLU   9 -13.745   1.373   6.653
   70    HE1  GLU   9          HE        GLU   9 -16.252   1.888   9.777
   71    H    ALA  10          H         ALA  10 -13.594   5.544   4.812
   72    HA   ALA  10          HA        ALA  10 -14.666   8.008   6.126
   73   1HB   ALA  10          HB3       ALA  10 -12.167   8.149   5.579
   74   2HB   ALA  10          HB1       ALA  10 -12.606   7.904   3.870
   75   3HB   ALA  10          HB2       ALA  10 -13.211   9.321   4.794
   76    H    THR  11          H         THR  11 -14.846   9.298   3.416
   77    HA   THR  11          HA        THR  11 -16.384   7.347   1.831
   78    HB   THR  11          HB        THR  11 -18.246   8.765   1.497
   79    HG1  THR  11          HG1       THR  11 -16.754  10.688   2.979
   80   1HG2  THR  11          HG23      THR  11 -18.355   7.537   3.645
   81   2HG2  THR  11          HG21      THR  11 -17.677   8.951   4.485
   82   3HG2  THR  11          HG22      THR  11 -19.244   9.068   3.670
   83    H    LEU  12          H         LEU  12 -16.856   8.467  -0.378
   84    HA   LEU  12          HA        LEU  12 -14.611   8.589  -1.797
   85   1HB   LEU  12          HB2       LEU  12 -16.830   8.447  -2.705
   86   2HB   LEU  12          HB3       LEU  12 -17.135  10.152  -2.431
   87    HG   LEU  12          HG        LEU  12 -14.680   9.464  -4.034
   88   1HD1  LEU  12          HD12      LEU  12 -17.501   9.134  -5.138
   89   2HD1  LEU  12          HD13      LEU  12 -16.002   9.121  -6.094
   90   3HD1  LEU  12          HD11      LEU  12 -16.305   7.840  -4.910
   91   1HD2  LEU  12          HD22      LEU  12 -16.920  11.522  -4.366
   92   2HD2  LEU  12          HD23      LEU  12 -15.298  11.842  -3.715
   93   3HD2  LEU  12          HD21      LEU  12 -15.498  11.382  -5.409
   94    HA   PRO  13          HA        PRO  13 -14.012  13.368  -1.821
   95   1HB   PRO  13          HB2       PRO  13 -14.855  14.736   0.487
   96   2HB   PRO  13          HB3       PRO  13 -15.691  14.698  -1.090
   97   1HG   PRO  13          HG2       PRO  13 -16.197  12.928   1.316
   98   2HG   PRO  13          HG3       PRO  13 -17.399  13.790   0.312
   99   1HD   PRO  13          HD2       PRO  13 -16.956  11.209  -0.103
  100   2HD   PRO  13          HD3       PRO  13 -17.024  12.289  -1.517
  101    H    GLN  14          H         GLN  14 -13.871  11.450   1.227
  102    HA   GLN  14          HA        GLN  14 -11.535  12.894   2.185
  103   1HB   GLN  14          HB2       GLN  14 -12.680  10.211   2.938
  104   2HB   GLN  14          HB3       GLN  14 -11.230  10.924   3.664
  105   1HG   GLN  14          HG2       GLN  14 -12.937  11.530   5.178
  106   2HG   GLN  14          HG3       GLN  14 -12.500  12.982   4.292
  107   1HE2  GLN  14          HE21      GLN  14 -15.897  13.514   3.464
  108   2HE2  GLN  14          HE22      GLN  14 -14.325  14.195   3.827
  109    H    VAL  15          H         VAL  15 -12.089  10.306  -0.169
  110    HA   VAL  15          HA        VAL  15  -9.394   9.272  -0.121
  111    HB   VAL  15          HB        VAL  15 -11.213   9.468  -2.547
  112   1HG1  VAL  15          HG13      VAL  15  -8.916   7.599  -1.834
  113   2HG1  VAL  15          HG11      VAL  15  -9.946   7.470  -3.273
  114   3HG1  VAL  15          HG12      VAL  15  -8.886   8.870  -3.071
  115   1HG2  VAL  15          HG21      VAL  15 -11.048   7.292  -0.414
  116   2HG2  VAL  15          HG22      VAL  15 -12.449   8.332  -0.717
  117   3HG2  VAL  15          HG23      VAL  15 -11.929   7.196  -1.958
  118    H    LYS  16          H         LYS  16 -10.985  11.964  -1.862
  119    HA   LYS  16          HA        LYS  16  -8.644  12.859  -3.272
  120   1HB   LYS  16          HB2       LYS  16 -11.201  14.312  -2.461
  121   2HB   LYS  16          HB3       LYS  16  -9.873  15.051  -3.351
  122   1HG   LYS  16          HG2       LYS  16 -11.478  14.463  -4.915
  123   2HG   LYS  16          HG3       LYS  16 -10.077  13.418  -5.160
  124   1HD   LYS  16          HD2       LYS  16 -11.244  11.534  -4.091
  125   2HD   LYS  16          HD3       LYS  16 -12.626  12.568  -3.680
  126   1HE   LYS  16          HE2       LYS  16 -11.614  11.982  -6.499
  127   2HE   LYS  16          HE3       LYS  16 -12.950  11.120  -5.710
  128   1HZ   LYS  16          HZ1       LYS  16 -14.109  13.219  -5.551
  129   2HZ   LYS  16          HZ2       LYS  16 -12.891  13.985  -6.356
  130   3HZ   LYS  16          HZ3       LYS  16 -13.776  12.826  -7.115
  131    H    ALA  17          H         ALA  17 -10.151  13.891  -0.162
  132    HA   ALA  17          HA        ALA  17  -8.274  15.809   0.581
  133   1HB   ALA  17          HB3       ALA  17 -10.370  15.243   1.835
  134   2HB   ALA  17          HB1       ALA  17  -9.529  13.826   2.515
  135   3HB   ALA  17          HB2       ALA  17  -8.940  15.456   2.866
  136    H    MET  18          H         MET  18  -8.042  12.264   1.192
  137    HA   MET  18          HA        MET  18  -5.497  12.393   2.485
  138   1HB   MET  18          HB2       MET  18  -7.024  10.147   1.182
  139   2HB   MET  18          HB3       MET  18  -5.413   9.923   1.891
  140   1HG   MET  18          HG2       MET  18  -6.144  10.823   4.036
  141   2HG   MET  18          HG3       MET  18  -7.771  11.111   3.417
  142   1HE   MET  18          HE1       MET  18  -8.541   8.589   1.878
  143   2HE   MET  18          HE2       MET  18  -9.256   7.562   3.151
  144   3HE   MET  18          HE3       MET  18  -9.569   9.317   3.130
  145    H    LEU  19          H         LEU  19  -6.369  11.677  -0.952
  146    HA   LEU  19          HA        LEU  19  -3.735  11.381  -1.919
  147   1HB   LEU  19          HB2       LEU  19  -6.255  12.440  -3.216
  148   2HB   LEU  19          HB3       LEU  19  -4.750  12.277  -4.117
  149    HG   LEU  19          HG        LEU  19  -5.961   9.918  -2.625
  150   1HD1  LEU  19          HD12      LEU  19  -6.424  10.761  -5.520
  151   2HD1  LEU  19          HD13      LEU  19  -6.943   9.228  -4.785
  152   3HD1  LEU  19          HD11      LEU  19  -7.639  10.758  -4.224
  153   1HD2  LEU  19          HD23      LEU  19  -4.039  10.107  -5.000
  154   2HD2  LEU  19          HD21      LEU  19  -3.566   9.694  -3.341
  155   3HD2  LEU  19          HD22      LEU  19  -4.628   8.612  -4.247
  156    H    GLU  20          H         GLU  20  -5.556  14.424  -1.406
  157    HA   GLU  20          HA        GLU  20  -3.624  16.160  -2.533
  158   1HB   GLU  20          HB2       GLU  20  -5.578  16.565  -0.247
  159   2HB   GLU  20          HB3       GLU  20  -4.619  17.868  -0.952
  160   1HG   GLU  20          HG2       GLU  20  -5.673  17.684  -3.079
  161   2HG   GLU  20          HG3       GLU  20  -6.392  16.116  -2.710
  162    HE1  GLU  20          HE        GLU  20  -8.040  19.340  -0.942
  163    H    LYS  21          H         LYS  21  -3.363  14.283   0.438
  164    HA   LYS  21          HA        LYS  21  -1.061  15.956   1.372
  165   1HB   LYS  21          HB2       LYS  21  -2.640  13.751   2.711
  166   2HB   LYS  21          HB3       LYS  21  -1.338  14.695   3.460
  167   1HG   LYS  21          HG2       LYS  21  -2.649  16.773   3.135
  168   2HG   LYS  21          HG3       LYS  21  -3.990  15.843   2.457
  169   1HD   LYS  21          HD2       LYS  21  -2.866  15.480   5.274
  170   2HD   LYS  21          HD3       LYS  21  -4.304  16.427   4.851
  171   1HE   LYS  21          HE2       LYS  21  -5.345  14.370   3.870
  172   2HE   LYS  21          HE3       LYS  21  -3.962  13.418   4.441
  173   1HZ   LYS  21          HZ2       LYS  21  -5.791  14.959   6.137
  174   2HZ   LYS  21          HZ3       LYS  21  -5.775  13.322   5.959
  175   3HZ   LYS  21          HZ1       LYS  21  -4.497  14.086   6.666
  176    H    ASP  22          H         ASP  22  -1.369  13.660  -0.851
  177    HA   ASP  22          HA        ASP  22   0.173  11.492   0.055
  178   1HB   ASP  22          HB2       ASP  22   0.263  10.768  -2.160
  179   2HB   ASP  22          HB3       ASP  22  -1.316  11.498  -1.967
  180    HD1  ASP  22          HD        ASP  22  -1.061  14.106  -2.844
  181    H    THR  23          H         THR  23   1.270  14.289  -1.830
  182    HA   THR  23          HA        THR  23   3.260  15.171  -2.291
  183    HB   THR  23          HB        THR  23   5.086  15.169  -0.854
  184    HG1  THR  23          HG1       THR  23   4.140  12.704   0.131
  185   1HG2  THR  23          HG21      THR  23   3.022  16.132   0.191
  186   2HG2  THR  23          HG22      THR  23   2.763  14.582   1.030
  187   3HG2  THR  23          HG23      THR  23   4.215  15.531   1.363
  188    H    GLY  24          H         GLY  24   5.754  13.184  -1.822
  189   1HA   GLY  24          HA2       GLY  24   6.857  11.598  -3.139
  190   2HA   GLY  24          HA3       GLY  24   5.322  11.204  -3.899
  191    H    LYS  25          H         LYS  25   8.304  12.797  -4.279
  192    HA   LYS  25          HA        LYS  25   7.570  14.448  -6.605
  193   1HB   LYS  25          HB2       LYS  25  10.196  13.587  -5.330
  194   2HB   LYS  25          HB3       LYS  25  10.085  14.682  -6.713
  195   1HG   LYS  25          HG2       LYS  25   9.267  16.448  -5.446
  196   2HG   LYS  25          HG3       LYS  25   8.456  15.401  -4.282
  197   1HD   LYS  25          HD2       LYS  25  10.315  16.529  -3.209
  198   2HD   LYS  25          HD3       LYS  25  10.563  14.777  -3.233
  199   1HE   LYS  25          HE2       LYS  25  12.144  14.987  -5.108
  200   2HE   LYS  25          HE3       LYS  25  11.842  16.734  -5.202
  201   1HZ   LYS  25          HZ3       LYS  25  12.917  15.357  -2.837
  202   2HZ   LYS  25          HZ1       LYS  25  13.838  16.134  -3.971
  203   3HZ   LYS  25          HZ2       LYS  25  12.765  16.978  -3.049
  204    H    VAL  26          H         VAL  26   7.254  13.448  -8.570
  205    HA   VAL  26          HA        VAL  26   7.613  10.642  -8.911
  206    HB   VAL  26          HB        VAL  26   7.194  12.841 -10.980
  207   1HG1  VAL  26          HG13      VAL  26   6.885   9.812 -11.173
  208   2HG1  VAL  26          HG11      VAL  26   6.219  10.960 -12.352
  209   3HG1  VAL  26          HG12      VAL  26   7.965  10.845 -12.137
  210   1HG2  VAL  26          HG23      VAL  26   5.237  11.019  -9.509
  211   2HG2  VAL  26          HG21      VAL  26   5.376  12.775  -9.300
  212   3HG2  VAL  26          HG22      VAL  26   4.809  12.119 -10.838
  213    H    SER  27          H         SER  27   9.176   9.449 -10.101
  214    HA   SER  27          HA        SER  27  11.537  10.854 -11.218
  215   1HB   SER  27          HB2       SER  27  11.726   8.743  -9.030
  216   2HB   SER  27          HB3       SER  27  13.074   9.542  -9.861
  217    HG   SER  27          HG        SER  27  11.570  11.489  -8.957
  218    H    GLY  28          H         GLY  28   9.929   9.949 -12.949
  219   1HA   GLY  28          HA2       GLY  28   9.699   8.447 -14.703
  220   2HA   GLY  28          HA3       GLY  28  11.081   7.521 -14.078
  221    H    ASP  29          H         ASP  29  10.134   5.424 -14.007
  222    HA   ASP  29          HA        ASP  29   7.495   5.020 -12.753
  223   1HB   ASP  29          HB2       ASP  29   8.152   3.594 -14.645
  224   2HB   ASP  29          HB3       ASP  29   9.565   3.013 -13.737
  225    HD1  ASP  29          HD        ASP  29   6.131   1.896 -12.016
  226    H    THR  30          H         THR  30   8.798   6.391 -10.934
  227    HA   THR  30          HA        THR  30   9.048   4.661  -8.681
  228    HB   THR  30          HB        THR  30  11.533   6.009  -9.851
  229    HG1  THR  30          HG1       THR  30  11.026   3.779 -10.295
  230   1HG2  THR  30          HG21      THR  30  11.206   5.065  -7.006
  231   2HG2  THR  30          HG22      THR  30  12.730   5.510  -7.802
  232   3HG2  THR  30          HG23      THR  30  11.479   6.739  -7.548
  233    H    VAL  31          H         VAL  31   8.787   5.955  -6.772
  234    HA   VAL  31          HA        VAL  31   8.215   8.857  -7.210
  235    HB   VAL  31          HB        VAL  31   6.691   6.814  -5.541
  236   1HG1  VAL  31          HG13      VAL  31   6.393   9.842  -5.634
  237   2HG1  VAL  31          HG11      VAL  31   5.254   8.721  -4.852
  238   3HG1  VAL  31          HG12      VAL  31   6.897   8.880  -4.223
  239   1HG2  VAL  31          HG22      VAL  31   6.025   6.902  -7.936
  240   2HG2  VAL  31          HG23      VAL  31   4.744   7.570  -6.916
  241   3HG2  VAL  31          HG21      VAL  31   5.802   8.656  -7.823
  242    H    THR  32          H         THR  32   9.189  10.192  -5.725
  243    HA   THR  32          HA        THR  32  11.053   8.923  -3.779
  244    HB   THR  32          HB        THR  32  11.364  11.373  -5.561
  245    HG1  THR  32          HG1       THR  32  12.168  10.007  -6.895
  246   1HG2  THR  32          HG22      THR  32  13.342  10.130  -3.599
  247   2HG2  THR  32          HG23      THR  32  13.717  11.382  -4.798
  248   3HG2  THR  32          HG21      THR  32  12.597  11.735  -3.475
  249    H    TYR  33          H         TYR  33  10.606   9.416  -1.711
  250    HA   TYR  33          HA        TYR  33   8.834  11.711  -1.115
  251   1HB   TYR  33          HB2       TYR  33   9.847   9.305   0.372
  252   2HB   TYR  33          HB3       TYR  33   9.445  10.739   1.299
  253    HD1  TYR  33          HD2       TYR  33   8.043   8.266  -1.113
  254    HD2  TYR  33          HD1       TYR  33   7.195  11.540   1.568
  255    HE1  TYR  33          HE2       TYR  33   5.607   7.875  -1.386
  256    HE2  TYR  33          HE1       TYR  33   4.777  11.048   1.405
  257    HH   TYR  33          HH        TYR  33   3.142   9.879   0.271
  258    H    SER  34          H         SER  34   9.415  13.046   0.816
  259    HA   SER  34          HA        SER  34  12.169  13.578   1.427
  260   1HB   SER  34          HB2       SER  34  10.504  15.638  -0.109
  261   2HB   SER  34          HB3       SER  34  12.016  15.999   0.742
  262    HG   SER  34          HG        SER  34  12.264  13.863  -0.956
  263    H    GLY  35          H         GLY  35  12.168  14.880   3.400
  264   1HA   GLY  35          HA2       GLY  35  11.223  15.790   5.313
  265   2HA   GLY  35          HA3       GLY  35   9.605  15.705   4.596
  266    H    LYS  36          H         LYS  36   9.879  14.945   7.207
  267    HA   LYS  36          HA        LYS  36  10.495  12.106   7.436
  268   1HB   LYS  36          HB2       LYS  36   9.363  14.019   9.488
  269   2HB   LYS  36          HB3       LYS  36   9.970  12.385   9.787
  270   1HG   LYS  36          HG2       LYS  36  12.201  13.094   8.841
  271   2HG   LYS  36          HG3       LYS  36  11.625  14.761   8.810
  272   1HD   LYS  36          HD2       LYS  36  11.896  12.944  11.255
  273   2HD   LYS  36          HD3       LYS  36  12.962  14.283  10.833
  274   1HE   LYS  36          HE2       LYS  36  10.023  14.506  11.650
  275   2HE   LYS  36          HE3       LYS  36  11.431  14.938  12.622
  276   1HZ   LYS  36          HZ2       LYS  36  11.973  16.607  10.996
  277   2HZ   LYS  36          HZ3       LYS  36  10.639  16.222  10.107
  278   3HZ   LYS  36          HZ1       LYS  36  10.468  16.849  11.619
  279    H    THR  37          H         THR  37   7.508  14.038   7.043
  280    HA   THR  37          HA        THR  37   5.788  11.846   7.929
  281    HB   THR  37          HB        THR  37   4.043  13.526   7.027
  282    HG1  THR  37          HG1       THR  37   5.474  14.702   5.714
  283   1HG2  THR  37          HG21      THR  37   4.693  13.160   9.374
  284   2HG2  THR  37          HG22      THR  37   6.042  14.296   9.199
  285   3HG2  THR  37          HG23      THR  37   4.364  14.889   9.072
  286    H    VAL  38          H         VAL  38   6.641  10.274   6.612
  287    HA   VAL  38          HA        VAL  38   6.281  10.482   3.670
  288    HB   VAL  38          HB        VAL  38   7.469   8.330   5.426
  289   1HG1  VAL  38          HG11      VAL  38   6.940   8.357   2.418
  290   2HG1  VAL  38          HG12      VAL  38   8.202   7.362   3.159
  291   3HG1  VAL  38          HG13      VAL  38   6.507   7.096   3.575
  292   1HG2  VAL  38          HG21      VAL  38   8.762  10.437   5.031
  293   2HG2  VAL  38          HG22      VAL  38   9.519   8.997   4.327
  294   3HG2  VAL  38          HG23      VAL  38   8.643  10.143   3.298
  295    H    HIS  39          H         HIS  39   4.117  11.066   3.963
  296    HA   HIS  39          HA        HIS  39   2.154   9.134   4.868
  297   1HB   HIS  39          HB2       HIS  39   1.900  11.581   5.103
  298   2HB   HIS  39          HB3       HIS  39   1.862  11.753   3.343
  299    HD1  HIS  39          HD1       HIS  39  -0.574  12.258   2.744
  300    HD2  HIS  39          HD2       HIS  39  -0.097   9.241   5.646
  301    HE1  HIS  39          HE1       HIS  39  -2.927  11.281   3.191
  302    HE2  HIS  39          HE2       HIS  39  -2.579   9.400   4.937
  303    H    VAL  40          H         VAL  40   2.242   7.253   3.619
  304    HA   VAL  40          HA        VAL  40   2.323   7.463   0.653
  305    HB   VAL  40          HB        VAL  40   2.483   5.022   2.433
  306   1HG1  VAL  40          HG13      VAL  40   2.910   5.383  -0.566
  307   2HG1  VAL  40          HG11      VAL  40   3.245   3.903   0.362
  308   3HG1  VAL  40          HG12      VAL  40   1.585   4.479   0.196
  309   1HG2  VAL  40          HG22      VAL  40   4.641   6.567   0.945
  310   2HG2  VAL  40          HG23      VAL  40   4.439   6.473   2.708
  311   3HG2  VAL  40          HG21      VAL  40   4.862   5.022   1.792
  312    H    VAL  41          H         VAL  41   0.385   8.079  -0.112
  313    HA   VAL  41          HA        VAL  41  -2.101   6.936   0.940
  314    HB   VAL  41          HB        VAL  41  -1.633   8.889  -1.324
  315   1HG1  VAL  41          HG11      VAL  41  -4.146   7.989   0.177
  316   2HG1  VAL  41          HG12      VAL  41  -4.071   9.405  -0.877
  317   3HG1  VAL  41          HG13      VAL  41  -3.827   7.783  -1.558
  318   1HG2  VAL  41          HG22      VAL  41  -0.917   9.700   0.969
  319   2HG2  VAL  41          HG23      VAL  41  -2.303  10.563   0.311
  320   3HG2  VAL  41          HG21      VAL  41  -2.547   9.316   1.550
  321    H    ALA  42          H         ALA  42  -1.969   4.799   0.568
  322    HA   ALA  42          HA        ALA  42  -1.482   3.735  -2.171
  323   1HB   ALA  42          HB1       ALA  42  -1.557   2.380   0.555
  324   2HB   ALA  42          HB2       ALA  42  -1.250   1.561  -0.992
  325   3HB   ALA  42          HB3       ALA  42  -0.105   2.771  -0.388
  326    H    ALA  43          H         ALA  43  -2.966   2.004  -2.938
  327    HA   ALA  43          HA        ALA  43  -5.531   1.670  -1.608
  328   1HB   ALA  43          HB1       ALA  43  -5.235   3.053  -4.326
  329   2HB   ALA  43          HB2       ALA  43  -6.768   2.466  -3.658
  330   3HB   ALA  43          HB3       ALA  43  -5.902   3.784  -2.850
  331    H    ALA  44          H         ALA  44  -6.926   0.198  -3.036
  332    HA   ALA  44          HA        ALA  44  -5.323  -1.563  -4.810
  333   1HB   ALA  44          HB1       ALA  44  -5.154  -2.607  -2.561
  334   2HB   ALA  44          HB2       ALA  44  -6.926  -2.567  -2.429
  335   3HB   ALA  44          HB3       ALA  44  -6.162  -3.570  -3.663
  336    H    VAL  45          H         VAL  45  -6.450  -2.114  -6.519
  337    HA   VAL  45          HA        VAL  45  -8.131  -1.786  -8.076
  338    HB   VAL  45          HB        VAL  45  -9.183  -3.970  -6.264
  339   1HG1  VAL  45          HG13      VAL  45 -10.583  -3.405  -8.320
  340   2HG1  VAL  45          HG11      VAL  45  -9.143  -3.691  -9.301
  341   3HG1  VAL  45          HG12      VAL  45  -9.871  -5.021  -8.380
  342   1HG2  VAL  45          HG23      VAL  45  -6.888  -4.083  -8.234
  343   2HG2  VAL  45          HG21      VAL  45  -6.803  -4.342  -6.474
  344   3HG2  VAL  45          HG22      VAL  45  -7.679  -5.489  -7.479
  345    H    LEU  46          H         LEU  46  -8.849   0.387  -7.407
  346    HA   LEU  46          HA        LEU  46 -11.178   0.613  -5.678
  347   1HB   LEU  46          HB2       LEU  46  -9.794   2.541  -7.591
  348   2HB   LEU  46          HB3       LEU  46 -11.116   3.023  -6.535
  349    HG   LEU  46          HG        LEU  46  -8.443   1.899  -5.565
  350   1HD1  LEU  46          HD12      LEU  46  -9.452   4.772  -5.722
  351   2HD1  LEU  46          HD13      LEU  46  -7.931   4.245  -4.972
  352   3HD1  LEU  46          HD11      LEU  46  -8.164   4.059  -6.718
  353   1HD2  LEU  46          HD23      LEU  46 -10.803   3.189  -4.117
  354   2HD2  LEU  46          HD21      LEU  46 -10.173   1.540  -3.882
  355   3HD2  LEU  46          HD22      LEU  46  -9.207   2.939  -3.398
  356    HA   PRO  47          HA        PRO  47 -14.299  -0.439  -8.523
  357   1HB   PRO  47          HB2       PRO  47 -16.300   1.453  -8.105
  358   2HB   PRO  47          HB3       PRO  47 -15.943   0.060  -7.046
  359   1HG   PRO  47          HG2       PRO  47 -14.961   2.904  -6.745
  360   2HG   PRO  47          HG3       PRO  47 -15.692   1.860  -5.488
  361   1HD   PRO  47          HD2       PRO  47 -13.032   2.122  -5.641
  362   2HD   PRO  47          HD3       PRO  47 -13.716   0.491  -5.390
  363    H    GLY  48          H         GLY  48 -13.747  -0.242 -10.598
  364   1HA   GLY  48          HA2       GLY  48 -14.389   1.200 -12.633
  365   2HA   GLY  48          HA3       GLY  48 -13.368   2.432 -11.866
  366    H    PHE  49          H         PHE  49 -11.441   0.618 -10.704
  367    HA   PHE  49          HA        PHE  49  -9.770   0.176 -13.092
  368   1HB   PHE  49          HB2       PHE  49  -9.185   0.029 -10.129
  369   2HB   PHE  49          HB3       PHE  49  -8.015  -0.261 -11.405
  370    HD1  PHE  49          HD2       PHE  49 -10.131   2.327  -9.790
  371    HD2  PHE  49          HD1       PHE  49  -7.188   1.589 -12.841
  372    HE1  PHE  49          HE2       PHE  49  -9.564   4.739  -9.816
  373    HE2  PHE  49          HE1       PHE  49  -6.699   4.022 -12.942
  374    HZ   PHE  49          HZ        PHE  49  -7.837   5.590 -11.390
  375    HA   PRO  50          HA        PRO  50 -10.874  -4.236 -12.820
  376   1HB   PRO  50          HB2       PRO  50  -8.411  -4.421 -14.566
  377   2HB   PRO  50          HB3       PRO  50  -9.974  -5.263 -14.766
  378   1HG   PRO  50          HG2       PRO  50  -9.399  -3.103 -16.302
  379   2HG   PRO  50          HG3       PRO  50 -11.018  -3.242 -15.552
  380   1HD   PRO  50          HD2       PRO  50  -8.656  -1.613 -14.574
  381   2HD   PRO  50          HD3       PRO  50 -10.378  -1.149 -14.742
  382    H    PHE  51          H         PHE  51  -9.754  -6.207 -12.064
  383    HA   PHE  51          HA        PHE  51  -7.916  -5.784  -9.901
  384   1HB   PHE  51          HB2       PHE  51  -9.076  -8.169 -11.378
  385   2HB   PHE  51          HB3       PHE  51  -7.670  -8.442 -10.395
  386    HD1  PHE  51          HD2       PHE  51 -11.141  -7.018 -10.179
  387    HD2  PHE  51          HD1       PHE  51  -7.845  -8.885  -8.098
  388    HE1  PHE  51          HE2       PHE  51 -12.578  -7.370  -8.187
  389    HE2  PHE  51          HE1       PHE  51  -9.304  -9.231  -6.122
  390    HZ   PHE  51          HZ        PHE  51 -11.636  -8.459  -6.154
  391    HA   PRO  52          HA        PRO  52  -6.431  -7.016  -8.864
  392   1HB   PRO  52          HB2       PRO  52  -4.271  -8.414  -8.281
  393   2HB   PRO  52          HB3       PRO  52  -5.427  -9.096  -9.463
  394   1HG   PRO  52          HG2       PRO  52  -2.868  -7.574 -10.048
  395   2HG   PRO  52          HG3       PRO  52  -3.379  -9.149 -10.729
  396   1HD   PRO  52          HD2       PRO  52  -3.788  -6.660 -11.952
  397   2HD   PRO  52          HD3       PRO  52  -4.802  -8.096 -12.234
  398    H    SER  53          H         SER  53  -4.028  -5.078 -10.437
  399    HA   SER  53          HA        SER  53  -1.994  -4.699  -8.752
  400   1HB   SER  53          HB2       SER  53  -2.018  -2.315  -9.880
  401   2HB   SER  53          HB3       SER  53  -1.854  -3.780 -10.866
  402    HG   SER  53          HG        SER  53  -4.384  -2.647 -10.288
  403    H    PHE  54          H         PHE  54  -1.271  -3.483  -7.119
  404    HA   PHE  54          HA        PHE  54  -3.052  -2.009  -5.336
  405   1HB   PHE  54          HB2       PHE  54  -0.006  -2.277  -5.611
  406   2HB   PHE  54          HB3       PHE  54  -0.752  -1.160  -4.486
  407    HD1  PHE  54          HD1       PHE  54  -2.768  -2.370  -3.025
  408    HD2  PHE  54          HD2       PHE  54   1.028  -3.942  -4.324
  409    HE1  PHE  54          HE1       PHE  54  -2.710  -3.896  -1.055
  410    HE2  PHE  54          HE2       PHE  54   1.135  -5.350  -2.303
  411    HZ   PHE  54          HZ        PHE  54  -0.734  -5.309  -0.651
  412    H    GLU  55          H         GLU  55  -3.400   0.195  -5.528
  413    HA   GLU  55          HA        GLU  55  -2.028   1.597  -7.777
  414   1HB   GLU  55          HB2       GLU  55  -4.575   2.682  -6.730
  415   2HB   GLU  55          HB3       GLU  55  -3.786   2.680  -8.332
  416   1HG   GLU  55          HG2       GLU  55  -4.445   0.333  -8.694
  417   2HG   GLU  55          HG3       GLU  55  -5.233   0.287  -7.108
  418    HE1  GLU  55          HE        GLU  55  -6.950   2.744  -9.811
  419    H    VAL  56          H         VAL  56  -0.810   3.451  -7.139
  420    HA   VAL  56          HA        VAL  56  -1.145   4.318  -4.296
  421    HB   VAL  56          HB        VAL  56   1.475   3.422  -5.471
  422   1HG1  VAL  56          HG12      VAL  56   0.819   4.493  -2.703
  423   2HG1  VAL  56          HG13      VAL  56   2.385   3.808  -3.184
  424   3HG1  VAL  56          HG11      VAL  56   1.808   5.289  -3.950
  425   1HG2  VAL  56          HG22      VAL  56  -0.183   2.089  -3.297
  426   2HG2  VAL  56          HG23      VAL  56   0.219   1.416  -4.892
  427   3HG2  VAL  56          HG21      VAL  56   1.491   1.663  -3.694
  428    H    HIS  57          H         HIS  57  -1.162   6.412  -4.209
  429    HA   HIS  57          HA        HIS  57  -1.721   8.172  -5.910
  430   1HB   HIS  57          HB2       HIS  57  -0.679   9.913  -4.703
  431   2HB   HIS  57          HB3       HIS  57  -1.214   8.657  -3.593
  432    HD1  HIS  57          HD1       HIS  57   1.780  10.669  -4.439
  433    HD2  HIS  57          HD2       HIS  57   0.807   7.068  -2.471
  434    HE1  HIS  57          HE1       HIS  57   3.749  10.094  -2.901
  435    HE2  HIS  57          HE2       HIS  57   3.145   7.969  -1.697
  436    H    ASP  58          H         ASP  58  -1.307   8.548  -7.937
  437    HA   ASP  58          HA        ASP  58  -0.314   9.514  -9.709
  438   1HB   ASP  58          HB2       ASP  58   1.413  10.632  -8.331
  439   2HB   ASP  58          HB3       ASP  58   2.441   9.194  -8.502
  440    HD1  ASP  58          HD        ASP  58   1.756  11.419 -11.774
  441    H    LYS  59          H         LYS  59   0.720   6.430  -8.399
  442    HA   LYS  59          HA        LYS  59   1.174   5.372 -11.162
  443   1HB   LYS  59          HB2       LYS  59   2.771   4.906  -8.635
  444   2HB   LYS  59          HB3       LYS  59   3.133   4.151 -10.195
  445   1HG   LYS  59          HG2       LYS  59   3.413   7.120  -9.570
  446   2HG   LYS  59          HG3       LYS  59   4.689   5.909  -9.608
  447   1HD   LYS  59          HD2       LYS  59   4.064   5.427 -12.035
  448   2HD   LYS  59          HD3       LYS  59   3.050   6.889 -11.968
  449   1HE   LYS  59          HE2       LYS  59   5.071   8.195 -11.231
  450   2HE   LYS  59          HE3       LYS  59   6.045   6.724 -11.366
  451   1HZ   LYS  59          HZ2       LYS  59   5.455   6.658 -13.700
  452   2HZ   LYS  59          HZ3       LYS  59   4.661   8.098 -13.553
  453   3HZ   LYS  59          HZ1       LYS  59   6.290   8.013 -13.280
  454    H    LYS  60          H         LYS  60   1.742   2.822 -10.557
  455    HA   LYS  60          HA        LYS  60  -0.125   1.746  -8.590
  456   1HB   LYS  60          HB2       LYS  60   0.072   0.828 -11.475
  457   2HB   LYS  60          HB3       LYS  60  -0.849  -0.003 -10.210
  458   1HG   LYS  60          HG2       LYS  60  -2.326   2.022 -10.042
  459   2HG   LYS  60          HG3       LYS  60  -1.409   2.764 -11.365
  460   1HD   LYS  60          HD2       LYS  60  -2.035   0.918 -12.879
  461   2HD   LYS  60          HD3       LYS  60  -2.868   0.083 -11.561
  462   1HE   LYS  60          HE2       LYS  60  -4.475   1.237 -13.006
  463   2HE   LYS  60          HE3       LYS  60  -4.501   1.916 -11.371
  464   1HZ   LYS  60          HZ2       LYS  60  -3.076   3.078 -13.663
  465   2HZ   LYS  60          HZ3       LYS  60  -4.523   3.597 -13.069
  466   3HZ   LYS  60          HZ1       LYS  60  -3.168   3.720 -12.146
  467    H    ASN  61          H         ASN  61   0.801   0.054  -7.561
  468    HA   ASN  61          HA        ASN  61   2.603  -1.071  -6.663
  469   1HB   ASN  61          HB2       ASN  61   2.927  -1.760  -9.610
  470   2HB   ASN  61          HB3       ASN  61   3.747  -2.596  -8.321
  471   1HD2  ASN  61          HD22      ASN  61  -0.246  -3.361  -8.661
  472   2HD2  ASN  61          HD21      ASN  61   0.114  -1.644  -8.503
  473    HA   PRO  62          HA        PRO  62   5.736   1.917  -8.681
  474   1HB   PRO  62          HB2       PRO  62   5.892   4.098  -7.024
  475   2HB   PRO  62          HB3       PRO  62   4.691   3.920  -8.323
  476   1HG   PRO  62          HG2       PRO  62   4.356   3.210  -5.379
  477   2HG   PRO  62          HG3       PRO  62   3.314   4.286  -6.355
  478   1HD   PRO  62          HD2       PRO  62   2.688   1.637  -5.994
  479   2HD   PRO  62          HD3       PRO  62   2.471   2.454  -7.570
  480    H    THR  63          H         THR  63   7.822   2.311  -8.137
  481    HA   THR  63          HA        THR  63   9.099   0.990  -5.961
  482    HB   THR  63          HB        THR  63  10.317   3.087  -7.735
  483    HG1  THR  63          HG1       THR  63   9.767   2.154  -9.566
  484   1HG2  THR  63          HG22      THR  63  11.712   1.562  -6.344
  485   2HG2  THR  63          HG23      THR  63  11.098   0.208  -7.352
  486   3HG2  THR  63          HG21      THR  63  12.053   1.552  -8.092
  487    H    LEU  64          H         LEU  64   9.291   2.047  -3.882
  488    HA   LEU  64          HA        LEU  64   8.893   5.026  -3.778
  489   1HB   LEU  64          HB2       LEU  64   8.415   2.772  -1.842
  490   2HB   LEU  64          HB3       LEU  64   8.798   4.387  -1.243
  491    HG   LEU  64          HG        LEU  64   6.946   5.370  -2.543
  492   1HD1  LEU  64          HD11      LEU  64   6.255   2.451  -3.112
  493   2HD1  LEU  64          HD12      LEU  64   5.140   3.819  -3.317
  494   3HD1  LEU  64          HD13      LEU  64   6.602   3.722  -4.310
  495   1HD2  LEU  64          HD23      LEU  64   6.717   4.787  -0.162
  496   2HD2  LEU  64          HD21      LEU  64   5.192   4.559  -1.030
  497   3HD2  LEU  64          HD22      LEU  64   6.185   3.148  -0.602
  498    H    GLU  65          H         GLU  65  10.698   6.265  -3.658
  499    HA   GLU  65          HA        GLU  65  13.142   5.168  -2.329
  500   1HB   GLU  65          HB2       GLU  65  12.932   7.882  -3.631
  501   2HB   GLU  65          HB3       GLU  65  14.368   6.941  -3.245
  502   1HG   GLU  65          HG2       GLU  65  12.273   6.305  -5.354
  503   2HG   GLU  65          HG3       GLU  65  13.895   6.921  -5.664
  504    HE1  GLU  65          HE        GLU  65  15.419   3.823  -4.864
  505    H    ILE  66          H         ILE  66  13.297   5.533  -0.194
  506    HA   ILE  66          HA        ILE  66  11.656   7.682   1.042
  507    HB   ILE  66          HB        ILE  66  12.354   4.843   1.757
  508   1HG1  ILE  66          HG12      ILE  66   9.787   6.351   1.117
  509   2HG1  ILE  66          HG13      ILE  66  10.525   4.981   0.274
  510   1HG2  ILE  66          HG21      ILE  66  12.539   6.182   3.877
  511   2HG2  ILE  66          HG22      ILE  66  10.923   6.862   3.573
  512   3HG2  ILE  66          HG23      ILE  66  11.141   5.140   3.903
  513   1HD1  ILE  66          HD13      ILE  66  10.071   3.613   2.401
  514   2HD1  ILE  66          HD11      ILE  66   9.060   4.976   2.924
  515   3HD1  ILE  66          HD12      ILE  66   8.657   4.108   1.443
  516    HA   PRO  67          HA        PRO  67  15.479   8.968   3.089
  517   1HB   PRO  67          HB2       PRO  67  14.447  10.829   4.803
  518   2HB   PRO  67          HB3       PRO  67  14.681  11.105   3.054
  519   1HG   PRO  67          HG2       PRO  67  12.128  10.393   4.486
  520   2HG   PRO  67          HG3       PRO  67  12.364  11.576   3.182
  521   1HD   PRO  67          HD2       PRO  67  11.417   9.011   2.840
  522   2HD   PRO  67          HD3       PRO  67  12.308   9.894   1.559
  523    H    ALA  68          H         ALA  68  16.314   7.509   4.462
  524    HA   ALA  68          HA        ALA  68  15.032   5.708   6.104
  525   1HB   ALA  68          HB2       ALA  68  17.453   5.638   5.393
  526   2HB   ALA  68          HB3       ALA  68  17.796   6.912   6.577
  527   3HB   ALA  68          HB1       ALA  68  17.229   5.321   7.127
  528    H    GLY  69          H         GLY  69  14.385   5.514   8.220
  529   1HA   GLY  69          HA2       GLY  69  13.946   6.138  10.375
  530   2HA   GLY  69          HA3       GLY  69  14.974   7.562  10.195
  531    H    ALA  70          H         ALA  70  12.938   8.016   7.611
  532    HA   ALA  70          HA        ALA  70  11.266   9.921   8.935
  533   1HB   ALA  70          HB3       ALA  70  11.014   8.493   6.257
  534   2HB   ALA  70          HB1       ALA  70  10.069   9.902   6.758
  535   3HB   ALA  70          HB2       ALA  70  11.828  10.048   6.596
  536    H    THR  71          H         THR  71   8.870   9.808   9.008
  537    HA   THR  71          HA        THR  71   7.975   7.221  10.153
  538    HB   THR  71          HB        THR  71   6.588   9.928  10.095
  539    HG1  THR  71          HG1       THR  71   8.570   9.761  11.340
  540   1HG2  THR  71          HG23      THR  71   6.060   7.310  11.585
  541   2HG2  THR  71          HG21      THR  71   5.224   8.845  11.912
  542   3HG2  THR  71          HG22      THR  71   5.027   8.040  10.342
  543    H    VAL  72          H         VAL  72   7.545   5.872   8.519
  544    HA   VAL  72          HA        VAL  72   6.174   6.713   6.060
  545    HB   VAL  72          HB        VAL  72   7.049   3.963   7.056
  546   1HG1  VAL  72          HG13      VAL  72   6.003   4.963   4.352
  547   2HG1  VAL  72          HG11      VAL  72   6.675   3.347   4.653
  548   3HG1  VAL  72          HG12      VAL  72   5.172   3.840   5.440
  549   1HG2  VAL  72          HG21      VAL  72   8.257   5.911   5.035
  550   2HG2  VAL  72          HG22      VAL  72   8.967   5.467   6.591
  551   3HG2  VAL  72          HG23      VAL  72   8.784   4.245   5.312
  552    H    ASP  73          H         ASP  73   4.149   7.348   6.475
  553    HA   ASP  73          HA        ASP  73   2.353   5.681   8.215
  554   1HB   ASP  73          HB2       ASP  73   2.164   8.542   7.210
  555   2HB   ASP  73          HB3       ASP  73   0.775   7.648   7.847
  556    HD2  ASP  73          HD        ASP  73   2.882   9.502  10.431
  557    H    VAL  74          H         VAL  74   1.809   3.994   6.912
  558    HA   VAL  74          HA        VAL  74   1.206   4.454   4.060
  559    HB   VAL  74          HB        VAL  74   1.022   1.938   5.704
  560   1HG1  VAL  74          HG11      VAL  74   0.955   2.455   2.688
  561   2HG1  VAL  74          HG12      VAL  74   1.043   0.845   3.421
  562   3HG1  VAL  74          HG13      VAL  74  -0.392   1.849   3.678
  563   1HG2  VAL  74          HG21      VAL  74   3.263   2.961   3.933
  564   2HG2  VAL  74          HG22      VAL  74   3.320   2.583   5.676
  565   3HG2  VAL  74          HG23      VAL  74   3.121   1.284   4.502
  566    H    THR  75          H         THR  75  -0.625   5.402   3.673
  567    HA   THR  75          HA        THR  75  -3.080   4.909   5.287
  568    HB   THR  75          HB        THR  75  -2.374   7.098   3.290
  569    HG1  THR  75          HG1       THR  75  -1.282   7.174   5.284
  570   1HG2  THR  75          HG22      THR  75  -4.811   6.731   5.098
  571   2HG2  THR  75          HG23      THR  75  -4.424   8.193   4.166
  572   3HG2  THR  75          HG21      THR  75  -4.809   6.685   3.325
  573    H    PHE  76          H         PHE  76  -3.768   2.953   4.380
  574    HA   PHE  76          HA        PHE  76  -3.883   2.568   1.452
  575   1HB   PHE  76          HB2       PHE  76  -5.021   1.156   3.881
  576   2HB   PHE  76          HB3       PHE  76  -5.655   0.775   2.316
  577    HD1  PHE  76          HD1       PHE  76  -3.489   0.631   0.441
  578    HD2  PHE  76          HD2       PHE  76  -3.956  -0.992   4.410
  579    HE1  PHE  76          HE1       PHE  76  -3.567  -1.622  -0.496
  580    HE2  PHE  76          HE2       PHE  76  -4.067  -3.265   3.451
  581    HZ   PHE  76          HZ        PHE  76  -3.979  -3.575   0.990
  582    H    ILE  77          H         ILE  77  -5.702   2.921   0.220
  583    HA   ILE  77          HA        ILE  77  -8.353   3.143   1.569
  584    HB   ILE  77          HB        ILE  77  -7.491   4.662  -0.931
  585   1HG1  ILE  77          HG12      ILE  77  -8.844   6.400   0.750
  586   2HG1  ILE  77          HG13      ILE  77  -8.068   5.380   1.943
  587   1HG2  ILE  77          HG22      ILE  77  -9.788   3.648  -1.176
  588   2HG2  ILE  77          HG23      ILE  77 -10.230   4.372   0.378
  589   3HG2  ILE  77          HG21      ILE  77  -9.835   5.392  -1.026
  590   1HD1  ILE  77          HD13      ILE  77  -5.843   5.791   0.802
  591   2HD1  ILE  77          HD11      ILE  77  -6.678   6.897  -0.317
  592   3HD1  ILE  77          HD12      ILE  77  -6.596   7.273   1.414
  593    H    ASN  78          H         ASN  78  -8.361   0.854   1.503
  594    HA   ASN  78          HA        ASN  78  -8.500  -0.323  -1.260
  595   1HB   ASN  78          HB2       ASN  78  -6.927  -1.675  -0.275
  596   2HB   ASN  78          HB3       ASN  78  -7.674  -1.774   1.294
  597   1HD2  ASN  78          HD21      ASN  78  -9.338  -4.752   0.129
  598   2HD2  ASN  78          HD22      ASN  78  -8.306  -4.041   1.377
  599    H    THR  79          H         THR  79 -10.510   0.072  -1.840
  600    HA   THR  79          HA        THR  79 -12.725  -0.839  -0.048
  601    HB   THR  79          HB        THR  79 -12.849   1.569  -1.914
  602    HG1  THR  79          HG1       THR  79 -11.572   1.672   0.122
  603   1HG2  THR  79          HG22      THR  79 -14.832   0.573   0.176
  604   2HG2  THR  79          HG23      THR  79 -14.972   2.038  -0.815
  605   3HG2  THR  79          HG21      THR  79 -15.090   0.461  -1.568
  606    H    ASN  80          H         ASN  80 -11.091  -2.409  -1.810
  607    HA   ASN  80          HA        ASN  80 -12.633  -2.778  -4.253
  608   1HB   ASN  80          HB2       ASN  80 -10.188  -3.263  -4.133
  609   2HB   ASN  80          HB3       ASN  80 -10.532  -4.566  -2.986
  610   1HD2  ASN  80          HD21      ASN  80 -12.041  -5.007  -6.829
  611   2HD2  ASN  80          HD22      ASN  80 -11.800  -3.392  -6.162
  612    H    LYS  81          H         LYS  81 -14.584  -2.820  -3.038
  613    HA   LYS  81          HA        LYS  81 -16.067  -3.862  -1.441
  614   1HB   LYS  81          HB2       LYS  81 -16.524  -5.079  -4.192
  615   2HB   LYS  81          HB3       LYS  81 -17.731  -4.707  -2.955
  616   1HG   LYS  81          HG2       LYS  81 -16.914  -2.240  -3.196
  617   2HG   LYS  81          HG3       LYS  81 -16.098  -2.799  -4.667
  618   1HD   LYS  81          HD2       LYS  81 -18.299  -3.743  -5.472
  619   2HD   LYS  81          HD3       LYS  81 -19.094  -2.983  -4.086
  620   1HE   LYS  81          HE2       LYS  81 -17.542  -1.538  -6.283
  621   2HE   LYS  81          HE3       LYS  81 -19.304  -1.618  -6.134
  622   1HZ   LYS  81          HZ2       LYS  81 -17.504  -0.381  -4.173
  623   2HZ   LYS  81          HZ3       LYS  81 -18.449   0.417  -5.263
  624   3HZ   LYS  81          HZ1       LYS  81 -19.151  -0.470  -4.064
  625    H    GLY  82          H         GLY  82 -15.391  -5.335   0.144
  626   1HA   GLY  82          HA2       GLY  82 -15.604  -7.433   1.089
  627   2HA   GLY  82          HA3       GLY  82 -15.865  -8.159  -0.494
  628    H    PHE  83          H         PHE  83 -13.272  -7.035  -1.624
  629    HA   PHE  83          HA        PHE  83 -11.562  -9.215  -0.621
  630   1HB   PHE  83          HB2       PHE  83 -11.165  -7.178  -2.801
  631   2HB   PHE  83          HB3       PHE  83 -10.048  -8.470  -2.424
  632    HD1  PHE  83          HD1       PHE  83 -13.414  -7.697  -3.801
  633    HD2  PHE  83          HD2       PHE  83 -10.502 -10.791  -3.054
  634    HE1  PHE  83          HE1       PHE  83 -14.712  -9.261  -5.210
  635    HE2  PHE  83          HE2       PHE  83 -11.761 -12.325  -4.541
  636    HZ   PHE  83          HZ        PHE  83 -13.868 -11.568  -5.618
  637    H    GLY  84          H         GLY  84 -11.194  -8.433   1.519
  638   1HA   GLY  84          HA2       GLY  84  -9.874  -5.980   2.180
  639   2HA   GLY  84          HA3       GLY  84  -9.907  -7.457   3.130
  640    H    HIS  85          H         HIS  85  -8.331  -6.367   0.049
  641    HA   HIS  85          HA        HIS  85  -6.050  -7.993   0.136
  642   1HB   HIS  85          HB2       HIS  85  -6.199  -5.103  -0.764
  643   2HB   HIS  85          HB3       HIS  85  -4.951  -6.247  -1.214
  644    HD2  HIS  85          HD2       HIS  85  -8.435  -5.095  -2.113
  645    HE1  HIS  85          HE1       HIS  85  -7.448  -8.045  -4.989
  646    HE2  HIS  85          HE2       HIS  85  -9.164  -6.296  -4.320
  647    H    SER  86          H         SER  86  -4.441  -8.169   1.637
  648    HA   SER  86          HA        SER  86  -4.016  -6.180   3.718
  649   1HB   SER  86          HB2       SER  86  -2.024  -7.961   3.978
  650   2HB   SER  86          HB3       SER  86  -3.680  -8.324   4.469
  651    HG   SER  86          HG        SER  86  -3.057  -9.986   3.301
  652    H    PHE  87          H         PHE  87  -1.803  -5.231   4.050
  653    HA   PHE  87          HA        PHE  87  -0.183  -5.004   1.563
  654   1HB   PHE  87          HB2       PHE  87  -1.527  -2.967   2.040
  655   2HB   PHE  87          HB3       PHE  87  -0.634  -2.705   3.505
  656    HD1  PHE  87          HD2       PHE  87   2.014  -2.549   3.220
  657    HD2  PHE  87          HD1       PHE  87  -0.802  -2.068  -0.009
  658    HE1  PHE  87          HE2       PHE  87   3.617  -1.077   2.031
  659    HE2  PHE  87          HE1       PHE  87   0.850  -0.707  -1.243
  660    HZ   PHE  87          HZ        PHE  87   3.042  -0.161  -0.204
  661    H    ASP  88          H         ASP  88   1.569  -6.319   2.276
  662    HA   ASP  88          HA        ASP  88   2.622  -5.887   5.051
  663   1HB   ASP  88          HB2       ASP  88   2.612  -8.450   3.416
  664   2HB   ASP  88          HB3       ASP  88   3.366  -8.205   5.003
  665    HD1  ASP  88          HD        ASP  88  -0.224  -7.520   6.024
  666    H    ILE  89          H         ILE  89   4.737  -5.553   5.309
  667    HA   ILE  89          HA        ILE  89   6.326  -5.106   2.863
  668    HB   ILE  89          HB        ILE  89   6.607  -3.709   5.557
  669   1HG1  ILE  89          HG12      ILE  89   5.210  -2.805   3.003
  670   2HG1  ILE  89          HG13      ILE  89   4.445  -3.131   4.565
  671   1HG2  ILE  89          HG21      ILE  89   8.679  -3.837   4.195
  672   2HG2  ILE  89          HG22      ILE  89   7.801  -3.154   2.810
  673   3HG2  ILE  89          HG23      ILE  89   8.060  -2.201   4.287
  674   1HD1  ILE  89          HD12      ILE  89   5.835  -1.291   5.580
  675   2HD1  ILE  89          HD13      ILE  89   6.329  -0.842   3.930
  676   3HD1  ILE  89          HD11      ILE  89   4.625  -0.778   4.391
  677    H    THR  90          H         THR  90   8.313  -6.057   2.699
  678    HA   THR  90          HA        THR  90   9.740  -7.184   4.937
  679    HB   THR  90          HB        THR  90   8.100  -8.887   4.747
  680    HG1  THR  90          HG1       THR  90   9.475 -10.542   4.647
  681   1HG2  THR  90          HG23      THR  90   8.832  -9.149   1.788
  682   2HG2  THR  90          HG21      THR  90   7.819 -10.290   2.693
  683   3HG2  THR  90          HG22      THR  90   7.271  -8.625   2.449
  684    H    LYS  91          H         LYS  91  11.288  -8.980   3.252
  685    HA   LYS  91          HA        LYS  91  12.409  -7.036   1.237
  686   1HB   LYS  91          HB2       LYS  91  14.028  -8.741   3.190
  687   2HB   LYS  91          HB3       LYS  91  14.675  -7.613   1.985
  688   1HG   LYS  91          HG2       LYS  91  13.450  -5.757   3.154
  689   2HG   LYS  91          HG3       LYS  91  13.040  -6.873   4.457
  690   1HD   LYS  91          HD2       LYS  91  15.829  -6.045   3.518
  691   2HD   LYS  91          HD3       LYS  91  15.022  -5.484   4.980
  692   1HE   LYS  91          HE2       LYS  91  15.970  -8.334   4.416
  693   2HE   LYS  91          HE3       LYS  91  16.672  -7.181   5.554
  694   1HZ   LYS  91          HZ1       LYS  91  14.610  -7.230   6.777
  695   2HZ   LYS  91          HZ2       LYS  91  13.986  -8.347   5.738
  696   3HZ   LYS  91          HZ3       LYS  91  15.286  -8.729   6.676
  697    H    LYS  92          H         LYS  92  10.900  -9.883   1.385
  698    HA   LYS  92          HA        LYS  92  12.672 -11.559  -0.192
  699   1HB   LYS  92          HB2       LYS  92   9.642 -11.646   0.091
  700   2HB   LYS  92          HB3       LYS  92  10.684 -12.924  -0.548
  701   1HG   LYS  92          HG2       LYS  92  11.756 -13.102   1.727
  702   2HG   LYS  92          HG3       LYS  92  10.689 -11.816   2.308
  703   1HD   LYS  92          HD2       LYS  92   9.591 -13.732   3.011
  704   2HD   LYS  92          HD3       LYS  92   8.701 -13.258   1.569
  705   1HE   LYS  92          HE2       LYS  92   9.941 -14.973   0.243
  706   2HE   LYS  92          HE3       LYS  92  10.887 -15.394   1.686
  707   1HZ   LYS  92          HZ1       LYS  92   8.797 -15.980   2.751
  708   2HZ   LYS  92          HZ2       LYS  92   7.988 -15.707   1.343
  709   3HZ   LYS  92          HZ3       LYS  92   9.117 -16.902   1.418
  710    H    GLY  93          H         GLY  93  12.135 -12.104  -2.526
  711   1HA   GLY  93          HA2       GLY  93  11.488  -9.618  -4.051
  712   2HA   GLY  93          HA3       GLY  93  12.500 -10.957  -4.598
  713    HA   PRO  94          HA        PRO  94   7.997 -11.787  -5.846
  714   1HB   PRO  94          HB2       PRO  94   7.837 -10.728  -8.376
  715   2HB   PRO  94          HB3       PRO  94   7.486  -9.758  -6.926
  716   1HG   PRO  94          HG2       PRO  94  10.088  -9.908  -8.468
  717   2HG   PRO  94          HG3       PRO  94   9.211  -8.441  -7.943
  718   1HD   PRO  94          HD2       PRO  94  11.306  -9.483  -6.523
  719   2HD   PRO  94          HD3       PRO  94   9.908  -8.728  -5.703
  720    HA   PRO  95          HA        PRO  95   6.565 -12.741  -7.526
  721   1HB   PRO  95          HB2       PRO  95   5.664 -15.191  -8.230
  722   2HB   PRO  95          HB3       PRO  95   6.314 -14.050  -9.441
  723   1HG   PRO  95          HG2       PRO  95   7.771 -16.362  -8.135
  724   2HG   PRO  95          HG3       PRO  95   7.677 -15.959  -9.872
  725   1HD   PRO  95          HD2       PRO  95   9.780 -15.180  -8.257
  726   2HD   PRO  95          HD3       PRO  95   9.220 -14.189  -9.632
  727    H    TYR  96          H         TYR  96   5.445 -13.021  -5.546
  728    HA   TYR  96          HA        TYR  96   6.940 -14.395  -3.423
  729   1HB   TYR  96          HB2       TYR  96   4.446 -12.855  -3.517
  730   2HB   TYR  96          HB3       TYR  96   5.230 -13.303  -1.997
  731    HD1  TYR  96          HD2       TYR  96   7.358 -12.322  -1.276
  732    HD2  TYR  96          HD1       TYR  96   5.326 -10.852  -4.787
  733    HE1  TYR  96          HE2       TYR  96   8.707 -10.240  -1.255
  734    HE2  TYR  96          HE1       TYR  96   6.865  -8.945  -4.890
  735    HH   TYR  96          HH        TYR  96   9.634  -8.639  -2.664
  736    H    ALA  97          H         ALA  97   5.695 -16.030  -5.402
  737    HA   ALA  97          HA        ALA  97   4.783 -18.056  -5.639
  738   1HB   ALA  97          HB1       ALA  97   5.936 -18.541  -3.478
  739   2HB   ALA  97          HB2       ALA  97   4.427 -18.149  -2.620
  740   3HB   ALA  97          HB3       ALA  97   4.480 -19.523  -3.733
  741    H    VAL  98          H         VAL  98   2.846 -19.308  -5.678
  742    HA   VAL  98          HA        VAL  98   0.496 -17.686  -6.044
  743    HB   VAL  98          HB        VAL  98   0.892 -20.690  -6.042
  744   1HG1  VAL  98          HG13      VAL  98  -1.457 -18.999  -7.016
  745   2HG1  VAL  98          HG11      VAL  98  -1.248 -20.734  -7.334
  746   3HG1  VAL  98          HG12      VAL  98  -1.494 -20.167  -5.679
  747   1HG2  VAL  98          HG23      VAL  98   0.749 -18.669  -8.320
  748   2HG2  VAL  98          HG21      VAL  98   2.202 -19.546  -7.800
  749   3HG2  VAL  98          HG22      VAL  98   0.846 -20.431  -8.506
  750    H    MET  99          H         MET  99   1.512 -20.038  -3.533
  751    HA   MET  99          HA        MET  99  -0.907 -19.488  -1.980
  752   1HB   MET  99          HB2       MET  99   1.623 -21.063  -1.315
  753   2HB   MET  99          HB3       MET  99   0.200 -20.955  -0.271
  754   1HG   MET  99          HG2       MET  99   0.244 -22.152  -3.068
  755   2HG   MET  99          HG3       MET  99   0.221 -23.042  -1.545
  756   1HE   MET  99          HE1       MET  99  -1.772 -24.503  -2.418
  757   2HE   MET  99          HE2       MET  99  -3.287 -23.821  -3.057
  758   3HE   MET  99          HE3       MET  99  -1.765 -23.595  -3.951
  759    HA   PRO 100          HA        PRO 100   0.780 -15.981   0.013
  760   1HB   PRO 100          HB2       PRO 100  -0.196 -16.980   2.698
  761   2HB   PRO 100          HB3       PRO 100  -0.522 -15.428   1.884
  762   1HG   PRO 100          HG2       PRO 100  -2.387 -17.379   1.914
  763   2HG   PRO 100          HG3       PRO 100  -2.050 -16.528   0.373
  764   1HD   PRO 100          HD2       PRO 100  -0.855 -19.165   1.315
  765   2HD   PRO 100          HD3       PRO 100  -1.744 -18.826  -0.186
  766    H    VAL 101          H         VAL 101   3.034 -17.406  -0.346
  767    HA   VAL 101          HA        VAL 101   4.380 -17.921   2.229
  768    HB   VAL 101          HB        VAL 101   5.627 -17.996  -0.534
  769   1HG1  VAL 101          HG12      VAL 101   7.170 -18.085   1.458
  770   2HG1  VAL 101          HG13      VAL 101   6.256 -19.471   2.073
  771   3HG1  VAL 101          HG11      VAL 101   7.155 -19.599   0.550
  772   1HG2  VAL 101          HG21      VAL 101   4.112 -20.194   0.951
  773   2HG2  VAL 101          HG22      VAL 101   3.688 -19.507  -0.630
  774   3HG2  VAL 101          HG23      VAL 101   5.160 -20.461  -0.457
  775    H    ILE 102          H         ILE 102   3.539 -15.492   2.478
  776    HA   ILE 102          HA        ILE 102   5.393 -13.497   1.400
  777    HB   ILE 102          HB        ILE 102   4.194 -11.890   2.514
  778   1HG1  ILE 102          HG12      ILE 102   3.772 -12.834   4.726
  779   2HG1  ILE 102          HG13      ILE 102   2.413 -12.008   4.010
  780   1HG2  ILE 102          HG22      ILE 102   3.188 -12.722   0.460
  781   2HG2  ILE 102          HG23      ILE 102   2.183 -13.863   1.366
  782   3HG2  ILE 102          HG21      ILE 102   1.950 -12.117   1.578
  783   1HD1  ILE 102          HD13      ILE 102   1.367 -14.215   3.446
  784   2HD1  ILE 102          HD11      ILE 102   2.737 -15.016   4.255
  785   3HD1  ILE 102          HD12      ILE 102   1.651 -13.977   5.174
  786    H    ASP 103          H         ASP 103   4.842 -15.126   4.433
  787    HA   ASP 103          HA        ASP 103   6.343 -13.624   6.167
  788   1HB   ASP 103          HB2       ASP 103   5.856 -16.625   6.145
  789   2HB   ASP 103          HB3       ASP 103   6.660 -15.809   7.486
  790    HD2  ASP 103          HD        ASP 103   2.730 -15.473   7.118
  791    HA   PRO 104          HA        PRO 104   7.877 -13.824   8.009
  792   1HB   PRO 104          HB2       PRO 104  10.093 -12.383   8.646
  793   2HB   PRO 104          HB3       PRO 104  10.030 -14.163   8.798
  794   1HG   PRO 104          HG2       PRO 104  11.144 -12.556   6.475
  795   2HG   PRO 104          HG3       PRO 104  11.953 -13.874   7.375
  796   1HD   PRO 104          HD2       PRO 104  10.651 -14.351   5.034
  797   2HD   PRO 104          HD3       PRO 104  10.544 -15.521   6.375
  798    H    ILE 105          H         ILE 105   7.151 -11.724   8.611
  799    HA   ILE 105          HA        ILE 105   7.242  -9.619   6.509
  800    HB   ILE 105          HB        ILE 105   5.062 -10.396   8.463
  801   1HG1  ILE 105          HG12      ILE 105   4.905 -11.692   6.464
  802   2HG1  ILE 105          HG13      ILE 105   3.656 -10.453   6.396
  803   1HG2  ILE 105          HG21      ILE 105   5.243  -7.856   6.810
  804   2HG2  ILE 105          HG22      ILE 105   3.763  -8.456   7.583
  805   3HG2  ILE 105          HG23      ILE 105   5.140  -7.996   8.576
  806   1HD1  ILE 105          HD13      ILE 105   5.438  -9.098   4.956
  807   2HD1  ILE 105          HD11      ILE 105   6.192 -10.692   4.764
  808   3HD1  ILE 105          HD12      ILE 105   4.530 -10.427   4.227
  809    H    VAL 106          H         VAL 106   7.702  -7.544   7.152
  810    HA   VAL 106          HA        VAL 106   8.950  -7.295   9.855
  811    HB   VAL 106          HB        VAL 106   9.139  -5.546   7.357
  812   1HG1  VAL 106          HG11      VAL 106  10.538  -5.297  10.061
  813   2HG1  VAL 106          HG12      VAL 106  10.892  -4.333   8.613
  814   3HG1  VAL 106          HG13      VAL 106   9.333  -4.163   9.422
  815   1HG2  VAL 106          HG23      VAL 106  10.383  -7.688   7.176
  816   2HG2  VAL 106          HG21      VAL 106  11.470  -6.300   7.302
  817   3HG2  VAL 106          HG22      VAL 106  11.191  -7.340   8.715
  818    H    ALA 107          H         ALA 107   7.284  -4.934   7.820
  819    HA   ALA 107          HA        ALA 107   5.365  -4.331  10.048
  820   1HB   ALA 107          HB3       ALA 107   6.782  -2.383   9.420
  821   2HB   ALA 107          HB1       ALA 107   6.239  -2.536   7.736
  822   3HB   ALA 107          HB2       ALA 107   5.075  -2.130   9.018
  823    H    GLY 108          H         GLY 108   3.030  -4.124   9.329
  824   1HA   GLY 108          HA2       GLY 108   2.355  -4.345   6.641
  825   2HA   GLY 108          HA3       GLY 108   2.415  -6.016   7.288
  826    H    THR 109          H         THR 109   0.097  -5.267   6.300
  827    HA   THR 109          HA        THR 109  -1.683  -4.825   8.683
  828    HB   THR 109          HB        THR 109  -3.310  -4.001   6.834
  829    HG1  THR 109          HG1       THR 109  -0.861  -3.810   5.418
  830   1HG2  THR 109          HG21      THR 109  -0.789  -2.455   7.505
  831   2HG2  THR 109          HG22      THR 109  -2.221  -1.747   6.713
  832   3HG2  THR 109          HG23      THR 109  -2.336  -2.398   8.362
  833    H    GLY 110          H         GLY 110  -3.198  -6.324   9.041
  834   1HA   GLY 110          HA2       GLY 110  -3.267  -8.782   7.446
  835   2HA   GLY 110          HA3       GLY 110  -4.229  -8.313   8.859
  836    H    PHE 111          H         PHE 111  -6.080  -9.212   7.258
  837    HA   PHE 111          HA        PHE 111  -6.504  -7.871   4.825
  838   1HB   PHE 111          HB2       PHE 111  -8.612  -9.362   6.397
  839   2HB   PHE 111          HB3       PHE 111  -8.574  -9.086   4.669
  840    HD1  PHE 111          HD1       PHE 111  -6.356  -9.931   3.409
  841    HD2  PHE 111          HD2       PHE 111  -7.735 -11.448   7.208
  842    HE1  PHE 111          HE1       PHE 111  -4.977 -11.956   3.104
  843    HE2  PHE 111          HE2       PHE 111  -6.296 -13.444   6.919
  844    HZ   PHE 111          HZ        PHE 111  -4.901 -13.694   4.877
  845    H    SER 112          H         SER 112  -7.295  -5.923   4.338
  846    HA   SER 112          HA        SER 112  -8.013  -4.051   6.351
  847   1HB   SER 112          HB2       SER 112  -8.344  -2.654   4.113
  848   2HB   SER 112          HB3       SER 112  -6.738  -3.258   4.565
  849    HG   SER 112          HG        SER 112  -6.769  -4.426   2.820
  850    HA   PRO 113          HA        PRO 113 -12.495  -4.069   6.038
  851   1HB   PRO 113          HB2       PRO 113 -13.181  -1.477   6.489
  852   2HB   PRO 113          HB3       PRO 113 -12.382  -2.450   7.760
  853   1HG   PRO 113          HG2       PRO 113 -11.073  -0.512   5.825
  854   2HG   PRO 113          HG3       PRO 113 -10.890  -0.555   7.592
  855   1HD   PRO 113          HD2       PRO 113  -9.107  -1.736   5.925
  856   2HD   PRO 113          HD3       PRO 113  -9.518  -2.493   7.471
  857    H    VAL 114          H         VAL 114 -14.041  -3.776   4.329
  858    HA   VAL 114          HA        VAL 114 -13.298  -2.040   2.026
  859    HB   VAL 114          HB        VAL 114 -13.784  -4.172   0.599
  860   1HG1  VAL 114          HG11      VAL 114 -11.737  -2.910   0.522
  861   2HG1  VAL 114          HG12      VAL 114 -11.102  -3.801   1.928
  862   3HG1  VAL 114          HG13      VAL 114 -11.477  -4.637   0.407
  863   1HG2  VAL 114          HG23      VAL 114 -14.285  -5.715   2.518
  864   2HG2  VAL 114          HG21      VAL 114 -12.861  -6.216   1.587
  865   3HG2  VAL 114          HG22      VAL 114 -12.638  -5.460   3.142
  866    HA   PRO 115          HA        PRO 115 -17.855  -1.740   2.750
  867   1HB   PRO 115          HB2       PRO 115 -16.949   0.904   1.560
  868   2HB   PRO 115          HB3       PRO 115 -18.271   0.609   2.728
  869   1HG   PRO 115          HG2       PRO 115 -15.879   1.515   3.621
  870   2HG   PRO 115          HG3       PRO 115 -16.661   0.149   4.478
  871   1HD   PRO 115          HD2       PRO 115 -14.468   0.011   2.386
  872   2HD   PRO 115          HD3       PRO 115 -14.569  -0.809   3.968
  873    H    LYS 116          H         LYS 116 -19.518  -1.220   1.053
  874    HA   LYS 116          HA        LYS 116 -18.506  -1.867  -1.672
  875   1HB   LYS 116          HB2       LYS 116 -21.079  -2.846  -0.375
  876   2HB   LYS 116          HB3       LYS 116 -20.440  -3.297  -1.966
  877   1HG   LYS 116          HG2       LYS 116 -18.348  -4.145  -0.735
  878   2HG   LYS 116          HG3       LYS 116 -19.264  -3.971   0.767
  879   1HD   LYS 116          HD2       LYS 116 -20.994  -5.521  -0.089
  880   2HD   LYS 116          HD3       LYS 116 -20.117  -5.665  -1.627
  881   1HE   LYS 116          HE2       LYS 116 -18.144  -6.585  -0.412
  882   2HE   LYS 116          HE3       LYS 116 -19.038  -6.480   1.115
  883   1HZ   LYS 116          HZ3       LYS 116 -19.792  -8.098  -1.218
  884   2HZ   LYS 116          HZ1       LYS 116 -19.120  -8.662   0.175
  885   3HZ   LYS 116          HZ2       LYS 116 -20.634  -8.009   0.197
  886    H    ASP 117          H         ASP 117 -19.777   0.617  -0.140
  887    HA   ASP 117          HA        ASP 117 -20.341   2.052  -2.479
  888   1HB   ASP 117          HB2       ASP 117 -22.471   0.809  -2.652
  889   2HB   ASP 117          HB3       ASP 117 -22.852   1.189  -0.961
  890    HD1  ASP 117          HD        ASP 117 -22.900   4.357  -3.437
  891    H    GLY 118          H         GLY 118 -20.689   4.246  -2.015
  892   1HA   GLY 118          HA2       GLY 118 -20.518   6.215  -0.918
  893   2HA   GLY 118          HA3       GLY 118 -21.325   5.481   0.463
  894    H    LYS 119          H         LYS 119 -19.685   3.771   1.595
  895    HA   LYS 119          HA        LYS 119 -17.694   5.560   2.709
  896   1HB   LYS 119          HB2       LYS 119 -18.517   2.731   3.443
  897   2HB   LYS 119          HB3       LYS 119 -17.296   3.684   4.308
  898   1HG   LYS 119          HG2       LYS 119 -18.988   5.417   4.803
  899   2HG   LYS 119          HG3       LYS 119 -20.225   4.447   3.974
  900   1HD   LYS 119          HD2       LYS 119 -19.875   2.599   5.596
  901   2HD   LYS 119          HD3       LYS 119 -18.558   3.502   6.361
  902   1HE   LYS 119          HE2       LYS 119 -20.571   3.706   7.709
  903   2HE   LYS 119          HE3       LYS 119 -20.138   5.286   7.039
  904   1HZ   LYS 119          HZ3       LYS 119 -22.193   3.474   5.965
  905   2HZ   LYS 119          HZ1       LYS 119 -22.475   4.825   6.868
  906   3HZ   LYS 119          HZ2       LYS 119 -21.813   4.963   5.366
  907    H    PHE 120          H         PHE 120 -15.532   4.906   3.067
  908    HA   PHE 120          HA        PHE 120 -14.246   3.318   0.891
  909   1HB   PHE 120          HB2       PHE 120 -13.984   6.157   1.744
  910   2HB   PHE 120          HB3       PHE 120 -12.483   5.386   1.336
  911    HD1  PHE 120          HD2       PHE 120 -15.966   6.025   0.062
  912    HD2  PHE 120          HD1       PHE 120 -12.172   4.403  -0.970
  913    HE1  PHE 120          HE2       PHE 120 -16.611   6.091  -2.315
  914    HE2  PHE 120          HE1       PHE 120 -12.757   4.526  -3.377
  915    HZ   PHE 120          HZ        PHE 120 -14.958   5.458  -4.066
  916    H    GLY 121          H         GLY 121 -13.223   1.718   1.834
  917   1HA   GLY 121          HA2       GLY 121 -12.683   1.586   4.702
  918   2HA   GLY 121          HA3       GLY 121 -12.287   0.379   3.463
  919    H    TYR 122          H         TYR 122 -10.824   2.345   5.634
  920    HA   TYR 122          HA        TYR 122  -8.412   2.445   3.985
  921   1HB   TYR 122          HB2       TYR 122  -7.795   4.660   4.610
  922   2HB   TYR 122          HB3       TYR 122  -9.404   4.731   3.987
  923    HD1  TYR 122          HD1       TYR 122  -7.081   5.111   6.788
  924    HD2  TYR 122          HD2       TYR 122 -11.184   5.495   5.574
  925    HE1  TYR 122          HE1       TYR 122  -7.452   6.743   8.587
  926    HE2  TYR 122          HE2       TYR 122 -11.607   6.993   7.540
  927    HH   TYR 122          HH        TYR 122  -8.957   8.178   9.574
  928    H    THR 123          H         THR 123  -6.482   2.879   5.337
  929    HA   THR 123          HA        THR 123  -6.628   1.911   8.094
  930    HB   THR 123          HB        THR 123  -5.646   0.232   5.775
  931    HG1  THR 123          HG1       THR 123  -7.752   0.124   7.082
  932   1HG2  THR 123          HG21      THR 123  -4.739  -0.108   8.651
  933   2HG2  THR 123          HG22      THR 123  -4.508  -1.256   7.300
  934   3HG2  THR 123          HG23      THR 123  -3.702   0.308   7.269
  935    H    ASP 124          H         ASP 124  -5.111   2.988   9.153
  936    HA   ASP 124          HA        ASP 124  -2.810   4.218   7.668
  937   1HB   ASP 124          HB2       ASP 124  -4.563   5.276   9.879
  938   2HB   ASP 124          HB3       ASP 124  -2.844   5.682   9.870
  939    HD2  ASP 124          HD        ASP 124  -2.828   7.480   6.982
  940    H    PHE 125          H         PHE 125  -1.117   2.837   7.999
  941    HA   PHE 125          HA        PHE 125  -0.636   2.070  10.847
  942   1HB   PHE 125          HB2       PHE 125   0.234   0.029  10.379
  943   2HB   PHE 125          HB3       PHE 125  -1.255   0.093   9.457
  944    HD1  PHE 125          HD2       PHE 125  -1.091   0.481   6.906
  945    HD2  PHE 125          HD1       PHE 125   2.350  -0.396   9.359
  946    HE1  PHE 125          HE2       PHE 125  -0.021  -0.694   4.999
  947    HE2  PHE 125          HE1       PHE 125   3.464  -1.438   7.409
  948    HZ   PHE 125          HZ        PHE 125   2.270  -1.645   5.258
  949    H    THR 126          H         THR 126   1.575   2.173  11.463
  950    HA   THR 126          HA        THR 126   3.126   4.113   9.826
  951    HB   THR 126          HB        THR 126   3.072   3.768  12.838
  952    HG1  THR 126          HG1       THR 126   1.847   5.778  11.247
  953   1HG2  THR 126          HG21      THR 126   4.225   5.888  10.979
  954   2HG2  THR 126          HG22      THR 126   4.053   6.093  12.738
  955   3HG2  THR 126          HG23      THR 126   5.137   4.847  12.092
  956    H    TRP 127          H         TRP 127   5.333   3.809   9.537
  957    HA   TRP 127          HA        TRP 127   6.735   1.702  11.032
  958   1HB   TRP 127          HB2       TRP 127   5.897   0.603   8.988
  959   2HB   TRP 127          HB3       TRP 127   6.525   1.906   7.995
  960    HD1  TRP 127          HD1       TRP 127   8.424  -0.130  10.651
  961    HE1  TRP 127          HE1       TRP 127  10.360  -1.399   9.546
  962    HE3  TRP 127          HE3       TRP 127   7.637   1.289   5.848
  963    HZ2  TRP 127          HZ2       TRP 127  11.343  -1.838   6.819
  964    HZ3  TRP 127          HZ3       TRP 127   9.092   0.478   4.012
  965    HH2  TRP 127          HH2       TRP 127  10.845  -1.167   4.459
  966    H    HIS 128          H         HIS 128   9.021   1.986  11.008
  967    HA   HIS 128          HA        HIS 128  10.058   4.614  10.040
  968   1HB   HIS 128          HB2       HIS 128  10.587   3.244  12.698
  969   2HB   HIS 128          HB3       HIS 128  11.529   4.583  12.035
  970    HD1  HIS 128          HD1       HIS 128   8.193   3.925  13.745
  971    HD2  HIS 128          HD2       HIS 128  10.244   6.986  11.695
  972    HE1  HIS 128          HE1       HIS 128   6.859   6.089  14.125
  973    HE2  HIS 128          HE2       HIS 128   8.113   7.940  12.843
  974    HA   PRO 129          HA        PRO 129  12.215   0.985   8.300
  975   1HB   PRO 129          HB2       PRO 129  12.843   1.876   5.890
  976   2HB   PRO 129          HB3       PRO 129  11.166   1.485   6.342
  977   1HG   PRO 129          HG2       PRO 129  12.411   4.235   6.296
  978   2HG   PRO 129          HG3       PRO 129  10.879   3.686   5.562
  979   1HD   PRO 129          HD2       PRO 129  11.025   4.856   8.035
  980   2HD   PRO 129          HD3       PRO 129   9.807   3.585   7.689
  981    H    THR 130          H         THR 130  14.533   0.522   8.236
  982    HA   THR 130          HA        THR 130  16.431   2.777   8.568
  983    HB   THR 130          HB        THR 130  17.972   0.755   9.056
  984    HG1  THR 130          HG1       THR 130  16.807  -1.147   9.576
  985   1HG2  THR 130          HG22      THR 130  15.538   1.189  10.860
  986   2HG2  THR 130          HG23      THR 130  17.086   0.476  11.356
  987   3HG2  THR 130          HG21      THR 130  17.014   2.178  10.862
  988    H    ALA 131          H         ALA 131  18.388   2.743   7.211
  989    HA   ALA 131          HA        ALA 131  17.671   2.775   4.542
  990   1HB   ALA 131          HB1       ALA 131  19.523   4.083   5.472
  991   2HB   ALA 131          HB2       ALA 131  20.491   2.598   5.634
  992   3HB   ALA 131          HB3       ALA 131  20.008   3.188   4.024
  993    H    GLY 132          H         GLY 132  18.078   1.543   2.722
  994   1HA   GLY 132          HA2       GLY 132  19.435  -0.375   1.847
  995   2HA   GLY 132          HA3       GLY 132  18.617  -1.372   3.085
  996    H    THR 133          H         THR 133  17.016  -2.561   2.000
  997    HA   THR 133          HA        THR 133  15.184  -1.174   0.208
  998    HB   THR 133          HB        THR 133  16.916  -3.489  -0.770
  999    HG1  THR 133          HG1       THR 133  17.156  -0.734  -0.902
 1000   1HG2  THR 133          HG22      THR 133  14.883  -1.772  -2.265
 1001   2HG2  THR 133          HG23      THR 133  15.937  -3.002  -2.979
 1002   3HG2  THR 133          HG21      THR 133  14.674  -3.486  -1.840
 1003    H    TYR 134          H         TYR 134  13.268  -2.285  -0.103
 1004    HA   TYR 134          HA        TYR 134  12.731  -4.780   1.306
 1005   1HB   TYR 134          HB2       TYR 134  11.265  -2.197   1.998
 1006   2HB   TYR 134          HB3       TYR 134  10.944  -3.744   2.689
 1007    HD1  TYR 134          HD1       TYR 134  13.393  -0.977   2.447
 1008    HD2  TYR 134          HD2       TYR 134  12.053  -4.384   4.718
 1009    HE1  TYR 134          HE1       TYR 134  14.777  -0.253   4.341
 1010    HE2  TYR 134          HE2       TYR 134  13.401  -3.612   6.651
 1011    HH   TYR 134          HH        TYR 134  15.395  -0.649   6.524
 1012    H    TYR 135          H         TYR 135  10.178  -5.082   0.997
 1013    HA   TYR 135          HA        TYR 135   9.256  -4.029  -1.551
 1014   1HB   TYR 135          HB2       TYR 135   9.574  -6.987  -0.942
 1015   2HB   TYR 135          HB3       TYR 135   8.607  -6.329  -2.259
 1016    HD1  TYR 135          HD1       TYR 135  12.099  -6.673  -0.982
 1017    HD2  TYR 135          HD2       TYR 135   9.581  -5.784  -4.359
 1018    HE1  TYR 135          HE1       TYR 135  14.052  -6.878  -2.486
 1019    HE2  TYR 135          HE2       TYR 135  11.522  -6.050  -5.869
 1020    HH   TYR 135          HH        TYR 135  13.779  -6.494  -6.030
 1021    H    TYR 136          H         TYR 136   6.910  -4.396  -1.789
 1022    HA   TYR 136          HA        TYR 136   5.537  -5.155   0.737
 1023   1HB   TYR 136          HB2       TYR 136   3.828  -3.496   0.308
 1024   2HB   TYR 136          HB3       TYR 136   5.405  -2.771   0.577
 1025    HD1  TYR 136          HD2       TYR 136   2.745  -3.388  -1.933
 1026    HD2  TYR 136          HD1       TYR 136   6.575  -1.569  -1.192
 1027    HE1  TYR 136          HE2       TYR 136   2.450  -1.915  -3.933
 1028    HE2  TYR 136          HE1       TYR 136   6.238  -0.058  -3.122
 1029    HH   TYR 136          HH        TYR 136   4.879   0.491  -4.869
 1030    H    VAL 137          H         VAL 137   3.590  -6.311   0.532
 1031    HA   VAL 137          HA        VAL 137   2.688  -7.161  -2.160
 1032    HB   VAL 137          HB        VAL 137   2.991  -9.467  -1.728
 1033   1HG1  VAL 137          HG13      VAL 137   5.023  -8.355  -2.567
 1034   2HG1  VAL 137          HG11      VAL 137   5.621  -8.165  -0.896
 1035   3HG1  VAL 137          HG12      VAL 137   5.362  -9.771  -1.561
 1036   1HG2  VAL 137          HG23      VAL 137   4.034  -8.731   1.052
 1037   2HG2  VAL 137          HG21      VAL 137   2.550  -9.646   0.693
 1038   3HG2  VAL 137          HG22      VAL 137   4.125 -10.346   0.334
 1039    H    CYS 138          H         CYS 138   0.696  -8.357  -2.125
 1040    HA   CYS 138          HA        CYS 138  -1.057  -8.043   0.277
 1041   1HB   CYS 138          HB2       CYS 138  -1.991  -7.137  -1.779
 1042   2HB   CYS 138          HB3       CYS 138  -1.496  -8.595  -2.664
 1043    H    GLN 139          H         GLN 139  -1.750  -9.912   1.391
 1044    HA   GLN 139          HA        GLN 139  -0.198 -12.305   0.931
 1045   1HB   GLN 139          HB2       GLN 139  -2.658 -11.916   2.634
 1046   2HB   GLN 139          HB3       GLN 139  -1.514 -13.243   2.785
 1047   1HG   GLN 139          HG2       GLN 139   0.211 -11.804   3.600
 1048   2HG   GLN 139          HG3       GLN 139  -0.681 -10.344   3.168
 1049   1HE2  GLN 139          HE22      GLN 139  -1.381 -11.978   6.780
 1050   2HE2  GLN 139          HE21      GLN 139  -0.050 -12.485   5.756
 1051    H    ILE 140          H         ILE 140  -3.467 -11.410   0.030
 1052    HA   ILE 140          HA        ILE 140  -4.706 -13.847  -0.101
 1053    HB   ILE 140          HB        ILE 140  -5.098 -11.483  -1.921
 1054   1HG1  ILE 140          HG12      ILE 140  -6.454 -12.338   0.686
 1055   2HG1  ILE 140          HG13      ILE 140  -5.308 -11.007   0.526
 1056   1HG2  ILE 140          HG21      ILE 140  -6.165 -13.528  -2.877
 1057   2HG2  ILE 140          HG22      ILE 140  -7.026 -13.770  -1.341
 1058   3HG2  ILE 140          HG23      ILE 140  -7.357 -12.349  -2.349
 1059   1HD1  ILE 140          HD11      ILE 140  -6.893  -9.873  -1.050
 1060   2HD1  ILE 140          HD12      ILE 140  -8.105 -11.099  -0.607
 1061   3HD1  ILE 140          HD13      ILE 140  -7.424 -10.034   0.634
 1062    HA   PRO 141          HA        PRO 141  -2.273 -16.342  -2.725
 1063   1HB   PRO 141          HB2       PRO 141  -4.963 -17.326  -3.740
 1064   2HB   PRO 141          HB3       PRO 141  -3.496 -18.297  -3.410
 1065   1HG   PRO 141          HG2       PRO 141  -5.447 -18.132  -1.536
 1066   2HG   PRO 141          HG3       PRO 141  -3.737 -17.965  -1.050
 1067   1HD   PRO 141          HD2       PRO 141  -5.797 -15.807  -1.391
 1068   2HD   PRO 141          HD3       PRO 141  -4.479 -15.971  -0.190
 1069    H    GLY 142          H         GLY 142  -1.392 -16.441  -4.777
 1070   1HA   GLY 142          HA2       GLY 142  -1.061 -16.014  -7.013
 1071   2HA   GLY 142          HA3       GLY 142  -2.759 -15.563  -7.172
 1072    H    HIS 143          H         HIS 143  -2.801 -13.429  -5.251
 1073    HA   HIS 143          HA        HIS 143  -2.272 -11.302  -6.947
 1074   1HB   HIS 143          HB2       HIS 143  -2.441 -11.185  -3.915
 1075   2HB   HIS 143          HB3       HIS 143  -2.580  -9.847  -5.038
 1076    HD2  HIS 143          HD2       HIS 143  -4.566 -12.733  -6.423
 1077    HE1  HIS 143          HE1       HIS 143  -7.362 -10.357  -4.301
 1078    HE2  HIS 143          HE2       HIS 143  -7.068 -12.302  -5.911
 1079    H    ALA 144          H         ALA 144  -0.142 -12.394  -4.212
 1080    HA   ALA 144          HA        ALA 144   1.894 -10.442  -5.021
 1081   1HB   ALA 144          HB1       ALA 144   1.559 -11.008  -2.689
 1082   2HB   ALA 144          HB2       ALA 144   2.251 -12.622  -2.997
 1083   3HB   ALA 144          HB3       ALA 144   3.207 -11.128  -3.284
 1084    H    ALA 145          H         ALA 145   0.983 -13.558  -6.251
 1085    HA   ALA 145          HA        ALA 145   3.695 -14.441  -6.930
 1086   1HB   ALA 145          HB2       ALA 145   1.711 -16.015  -6.797
 1087   2HB   ALA 145          HB3       ALA 145   1.098 -15.295  -8.287
 1088   3HB   ALA 145          HB1       ALA 145   2.665 -16.114  -8.276
 1089    H    THR 146          H         THR 146   0.865 -13.088  -8.650
 1090    HA   THR 146          HA        THR 146   2.557 -11.338 -10.336
 1091    HB   THR 146          HB        THR 146   1.437 -12.243 -12.395
 1092    HG1  THR 146          HG1       THR 146  -0.221 -13.326 -11.224
 1093   1HG2  THR 146          HG23      THR 146   3.780 -12.951 -11.788
 1094   2HG2  THR 146          HG21      THR 146   3.090 -14.408 -11.035
 1095   3HG2  THR 146          HG22      THR 146   2.878 -14.127 -12.766
 1096    H    GLY 147          H         GLY 147   1.377  -9.675  -9.078
 1097   1HA   GLY 147          HA2       GLY 147  -0.974  -8.886 -10.475
 1098   2HA   GLY 147          HA3       GLY 147  -1.439  -9.591  -8.914
 1099    H    MET 148          H         MET 148   0.050  -8.651  -7.010
 1100    HA   MET 148          HA        MET 148   0.334  -5.726  -7.370
 1101   1HB   MET 148          HB2       MET 148  -1.133  -5.153  -5.632
 1102   2HB   MET 148          HB3       MET 148  -1.992  -6.104  -6.853
 1103   1HG   MET 148          HG2       MET 148  -1.392  -8.062  -5.138
 1104   2HG   MET 148          HG3       MET 148  -1.335  -6.706  -4.007
 1105   1HE   MET 148          HE1       MET 148  -3.458  -4.773  -5.364
 1106   2HE   MET 148          HE2       MET 148  -5.023  -5.252  -4.686
 1107   3HE   MET 148          HE3       MET 148  -3.623  -5.053  -3.612
 1108    H    PHE 149          H         PHE 149   2.299  -5.240  -6.706
 1109    HA   PHE 149          HA        PHE 149   3.071  -5.635  -4.004
 1110   1HB   PHE 149          HB2       PHE 149   5.161  -7.022  -4.488
 1111   2HB   PHE 149          HB3       PHE 149   3.648  -7.837  -4.593
 1112    HD1  PHE 149          HD1       PHE 149   5.798  -5.879  -7.066
 1113    HD2  PHE 149          HD2       PHE 149   3.567  -9.476  -6.208
 1114    HE1  PHE 149          HE1       PHE 149   6.420  -6.803  -9.261
 1115    HE2  PHE 149          HE2       PHE 149   4.270 -10.426  -8.370
 1116    HZ   PHE 149          HZ        PHE 149   5.667  -9.077  -9.928
 1117    H    GLY 150          H         GLY 150   5.812  -4.923  -4.189
 1118   1HA   GLY 150          HA2       GLY 150   6.672  -3.247  -6.304
 1119   2HA   GLY 150          HA3       GLY 150   5.733  -2.232  -5.214
 1120    H    LYS 151          H         LYS 151   8.230  -1.523  -5.422
 1121    HA   LYS 151          HA        LYS 151   9.906  -2.938  -3.413
 1122   1HB   LYS 151          HB2       LYS 151  10.985  -1.020  -5.448
 1123   2HB   LYS 151          HB3       LYS 151  11.769  -2.366  -4.618
 1124   1HG   LYS 151          HG2       LYS 151  10.259  -3.925  -5.984
 1125   2HG   LYS 151          HG3       LYS 151   9.754  -2.491  -6.899
 1126   1HD   LYS 151          HD2       LYS 151  12.171  -2.052  -7.470
 1127   2HD   LYS 151          HD3       LYS 151  12.605  -3.543  -6.624
 1128   1HE   LYS 151          HE2       LYS 151  12.488  -3.973  -9.019
 1129   2HE   LYS 151          HE3       LYS 151  11.178  -4.850  -8.214
 1130   1HZ   LYS 151          HZ2       LYS 151  10.908  -2.262  -9.587
 1131   2HZ   LYS 151          HZ3       LYS 151  10.470  -3.723 -10.207
 1132   3HZ   LYS 151          HZ1       LYS 151   9.683  -3.119  -8.895
 1133    H    ILE 152          H         ILE 152  11.087  -1.704  -1.917
 1134    HA   ILE 152          HA        ILE 152  10.489   1.206  -1.678
 1135    HB   ILE 152          HB        ILE 152  10.803  -0.801   0.561
 1136   1HG1  ILE 152          HG12      ILE 152   8.251   0.383  -0.565
 1137   2HG1  ILE 152          HG13      ILE 152   8.720  -1.328  -0.403
 1138   1HG2  ILE 152          HG22      ILE 152  11.553   1.555   1.017
 1139   2HG2  ILE 152          HG23      ILE 152   9.890   2.077   0.682
 1140   3HG2  ILE 152          HG21      ILE 152  10.259   1.005   2.067
 1141   1HD1  ILE 152          HD11      ILE 152   8.715  -1.048   2.082
 1142   2HD1  ILE 152          HD12      ILE 152   7.985   0.563   1.845
 1143   3HD1  ILE 152          HD13      ILE 152   7.128  -0.887   1.303
 1144    H    VAL 153          H         VAL 153  12.437   2.325  -1.575
 1145    HA   VAL 153          HA        VAL 153  14.928   0.838  -0.850
 1146    HB   VAL 153          HB        VAL 153  14.790   3.300  -2.560
 1147   1HG1  VAL 153          HG11      VAL 153  16.955   2.684  -1.402
 1148   2HG1  VAL 153          HG12      VAL 153  16.923   1.109  -2.182
 1149   3HG1  VAL 153          HG13      VAL 153  17.119   2.579  -3.163
 1150   1HG2  VAL 153          HG21      VAL 153  14.847   0.384  -3.513
 1151   2HG2  VAL 153          HG22      VAL 153  13.611   1.600  -3.903
 1152   3HG2  VAL 153          HG23      VAL 153  15.245   1.756  -4.559
 1153    H    VAL 154          H         VAL 154  16.033   1.846   0.829
 1154    HA   VAL 154          HA        VAL 154  14.821   4.367   1.904
 1155    HB   VAL 154          HB        VAL 154  15.778   1.950   3.469
 1156   1HG1  VAL 154          HG13      VAL 154  15.904   4.187   4.601
 1157   2HG1  VAL 154          HG11      VAL 154  14.182   4.433   4.266
 1158   3HG1  VAL 154          HG12      VAL 154  14.703   3.132   5.354
 1159   1HG2  VAL 154          HG21      VAL 154  12.926   2.837   2.844
 1160   2HG2  VAL 154          HG22      VAL 154  13.713   1.370   2.216
 1161   3HG2  VAL 154          HG23      VAL 154  13.406   1.526   3.929
 1162    H    LYS 155          H         LYS 155  16.375   5.977   2.049
 1163    HA   LYS 155          HA        LYS 155  19.240   5.171   2.366
 1164   1HB   LYS 155          HB2       LYS 155  18.210   6.981   0.153
 1165   2HB   LYS 155          HB3       LYS 155  19.903   6.560   0.494
 1166   1HG   LYS 155          HG2       LYS 155  19.409   4.178   0.002
 1167   2HG   LYS 155          HG3       LYS 155  17.743   4.604  -0.418
 1168   1HD   LYS 155          HD2       LYS 155  20.176   5.737  -1.855
 1169   2HD   LYS 155          HD3       LYS 155  19.277   4.302  -2.372
 1170   1HE   LYS 155          HE2       LYS 155  17.180   5.677  -2.510
 1171   2HE   LYS 155          HE3       LYS 155  18.133   7.124  -2.130
 1172   1HZ   LYS 155          HZ2       LYS 155  18.525   5.372  -4.447
 1173   2HZ   LYS 155          HZ3       LYS 155  17.815   6.857  -4.459
 1174   3HZ   LYS 155          HZ1       LYS 155  19.417   6.714  -4.097
   
  No H/Q in entry =        1174
  Start of MODEL    7
    1    H    GLY   1          H         GLY   1   2.806 -11.291  12.445
    2   1HA   GLY   1          HA2       GLY   1   0.688 -12.803  12.093
    3   2HA   GLY   1          HA3       GLY   1   0.866 -13.045  13.843
    4    H    THR   2          H         THR   2   1.560 -10.613  14.847
    5    HA   THR   2          HA        THR   2  -0.858  -8.999  14.542
    6    HB   THR   2          HB        THR   2   0.308  -7.614  16.273
    7    HG1  THR   2          HG1       THR   2   2.415  -8.135  15.607
    8   1HG2  THR   2          HG23      THR   2  -1.163  -9.496  16.953
    9   2HG2  THR   2          HG21      THR   2   0.223 -10.607  16.900
   10   3HG2  THR   2          HG22      THR   2   0.194  -9.282  18.076
   11    H    LEU   3          H         LEU   3  -0.306  -8.820  12.172
   12    HA   LEU   3          HA        LEU   3   1.719  -7.150  11.133
   13   1HB   LEU   3          HB2       LEU   3  -0.976  -8.126  10.274
   14   2HB   LEU   3          HB3       LEU   3  -0.409  -6.731   9.413
   15    HG   LEU   3          HG        LEU   3   1.732  -7.931   8.896
   16   1HD1  LEU   3          HD11      LEU   3   0.318 -10.294  10.176
   17   2HD1  LEU   3          HD12      LEU   3   1.819 -10.386   9.228
   18   3HD1  LEU   3          HD13      LEU   3   1.813  -9.519  10.769
   19   1HD2  LEU   3          HD21      LEU   3  -0.146  -7.962   7.298
   20   2HD2  LEU   3          HD22      LEU   3   0.783  -9.472   7.247
   21   3HD2  LEU   3          HD23      LEU   3  -0.786  -9.431   8.071
   22    H    ASP   4          H         ASP   4  -1.615  -5.938  11.187
   23    HA   ASP   4          HA        ASP   4  -1.300  -3.859  13.028
   24   1HB   ASP   4          HB2       ASP   4   0.228  -2.903  11.188
   25   2HB   ASP   4          HB3       ASP   4  -1.187  -2.863  10.136
   26    HD1  ASP   4          HD        ASP   4  -2.613  -0.253  12.089
   27    H    THR   5          H         THR   5  -3.416  -3.009  13.347
   28    HA   THR   5          HA        THR   5  -5.519  -3.772  11.407
   29    HB   THR   5          HB        THR   5  -6.896  -4.656  13.229
   30    HG1  THR   5          HG1       THR   5  -6.054  -3.532  14.947
   31   1HG2  THR   5          HG21      THR   5  -5.378  -6.240  11.998
   32   2HG2  THR   5          HG22      THR   5  -4.179  -6.044  13.302
   33   3HG2  THR   5          HG23      THR   5  -5.762  -6.742  13.656
   34    H    THR   6          H         THR   6  -4.323  -1.188  11.787
   35    HA   THR   6          HA        THR   6  -6.137   0.348  13.498
   36    HB   THR   6          HB        THR   6  -4.134   1.475  11.474
   37    HG1  THR   6          HG1       THR   6  -3.736   0.730  14.171
   38   1HG2  THR   6          HG21      THR   6  -5.314   2.501  14.098
   39   2HG2  THR   6          HG22      THR   6  -4.140   3.349  13.062
   40   3HG2  THR   6          HG23      THR   6  -5.792   3.050  12.484
   41    H    TRP   7          H         TRP   7  -7.890  -0.831  12.334
   42    HA   TRP   7          HA        TRP   7  -8.564  -0.152   9.586
   43   1HB   TRP   7          HB2       TRP   7 -10.171  -1.441  11.853
   44   2HB   TRP   7          HB3       TRP   7 -10.611  -1.479  10.159
   45    HD1  TRP   7          HD1       TRP   7 -10.528  -4.065  11.708
   46    HE1  TRP   7          HE1       TRP   7  -9.038  -5.997  10.969
   47    HE3  TRP   7          HE3       TRP   7  -6.812  -1.423   9.365
   48    HZ2  TRP   7          HZ2       TRP   7  -6.616  -6.351   9.404
   49    HZ3  TRP   7          HZ3       TRP   7  -5.144  -2.606   7.982
   50    HH2  TRP   7          HH2       TRP   7  -5.044  -5.089   8.020
   51    H    LYS   8          H         LYS   8  -9.646   1.675   8.919
   52    HA   LYS   8          HA        LYS   8 -11.834   2.762  10.570
   53   1HB   LYS   8          HB2       LYS   8  -9.579   4.378   9.309
   54   2HB   LYS   8          HB3       LYS   8 -10.998   5.083  10.096
   55   1HG   LYS   8          HG2       LYS   8  -8.841   3.443  11.498
   56   2HG   LYS   8          HG3       LYS   8  -8.908   5.202  11.423
   57   1HD   LYS   8          HD2       LYS   8 -10.998   5.275  12.671
   58   2HD   LYS   8          HD3       LYS   8 -11.157   3.515  12.608
   59   1HE   LYS   8          HE2       LYS   8 -10.355   4.190  14.803
   60   2HE   LYS   8          HE3       LYS   8  -9.143   3.213  13.961
   61   1HZ   LYS   8          HZ2       LYS   8  -9.138   6.147  14.167
   62   2HZ   LYS   8          HZ3       LYS   8  -8.186   5.119  15.034
   63   3HZ   LYS   8          HZ1       LYS   8  -7.996   5.237  13.402
   64    H    GLU   9          H         GLU   9 -13.001   4.495   9.030
   65    HA   GLU   9          HA        GLU   9 -12.502   3.914   6.244
   66   1HB   GLU   9          HB2       GLU   9 -15.408   3.819   7.036
   67   2HB   GLU   9          HB3       GLU   9 -14.613   3.355   5.530
   68   1HG   GLU   9          HG2       GLU   9 -15.343   1.327   6.622
   69   2HG   GLU   9          HG3       GLU   9 -13.592   1.364   6.834
   70    HE2  GLU   9          HE        GLU   9 -14.094   0.821  10.178
   71    H    ALA  10          H         ALA  10 -13.225   5.491   4.881
   72    HA   ALA  10          HA        ALA  10 -14.284   8.050   6.021
   73   1HB   ALA  10          HB3       ALA  10 -11.811   8.139   5.381
   74   2HB   ALA  10          HB1       ALA  10 -12.286   7.697   3.725
   75   3HB   ALA  10          HB2       ALA  10 -12.860   9.215   4.482
   76    H    THR  11          H         THR  11 -14.525   9.110   3.232
   77    HA   THR  11          HA        THR  11 -16.130   7.079   1.855
   78    HB   THR  11          HB        THR  11 -17.972   8.549   1.420
   79    HG1  THR  11          HG1       THR  11 -16.401  10.482   2.807
   80   1HG2  THR  11          HG22      THR  11 -18.091   7.401   3.613
   81   2HG2  THR  11          HG23      THR  11 -17.371   8.825   4.397
   82   3HG2  THR  11          HG21      THR  11 -18.943   8.953   3.592
   83    H    LEU  12          H         LEU  12 -16.632   7.926  -0.421
   84    HA   LEU  12          HA        LEU  12 -14.445   7.936  -1.893
   85   1HB   LEU  12          HB2       LEU  12 -16.719   7.778  -2.732
   86   2HB   LEU  12          HB3       LEU  12 -16.919   9.517  -2.676
   87    HG   LEU  12          HG        LEU  12 -14.524   8.483  -4.179
   88   1HD1  LEU  12          HD11      LEU  12 -17.368   8.213  -5.240
   89   2HD1  LEU  12          HD12      LEU  12 -15.881   7.983  -6.183
   90   3HD1  LEU  12          HD13      LEU  12 -16.261   6.877  -4.855
   91   1HD2  LEU  12          HD22      LEU  12 -16.611  10.622  -4.810
   92   2HD2  LEU  12          HD23      LEU  12 -14.997  10.924  -4.137
   93   3HD2  LEU  12          HD21      LEU  12 -15.161  10.270  -5.767
   94    HA   PRO  13          HA        PRO  13 -13.750  12.626  -2.465
   95   1HB   PRO  13          HB2       PRO  13 -14.499  14.318  -0.347
   96   2HB   PRO  13          HB3       PRO  13 -15.397  14.077  -1.871
   97   1HG   PRO  13          HG2       PRO  13 -15.826  12.659   0.772
   98   2HG   PRO  13          HG3       PRO  13 -17.060  13.406  -0.284
   99   1HD   PRO  13          HD2       PRO  13 -16.667  10.781  -0.367
  100   2HD   PRO  13          HD3       PRO  13 -16.797  11.668  -1.907
  101    H    GLN  14          H         GLN  14 -13.568  11.076   0.773
  102    HA   GLN  14          HA        GLN  14 -11.182  12.551   1.532
  103   1HB   GLN  14          HB2       GLN  14 -12.303   9.950   2.552
  104   2HB   GLN  14          HB3       GLN  14 -10.829  10.732   3.143
  105   1HG   GLN  14          HG2       GLN  14 -12.453  11.449   4.678
  106   2HG   GLN  14          HG3       GLN  14 -12.070  12.827   3.659
  107   1HE2  GLN  14          HE21      GLN  14 -15.492  13.279   2.882
  108   2HE2  GLN  14          HE22      GLN  14 -13.890  13.974   3.016
  109    H    VAL  15          H         VAL  15 -11.855   9.685  -0.475
  110    HA   VAL  15          HA        VAL  15  -9.194   8.608  -0.449
  111    HB   VAL  15          HB        VAL  15 -11.140   8.631  -2.791
  112   1HG1  VAL  15          HG11      VAL  15  -8.784   6.839  -2.096
  113   2HG1  VAL  15          HG12      VAL  15  -9.958   6.537  -3.397
  114   3HG1  VAL  15          HG13      VAL  15  -8.916   7.958  -3.466
  115   1HG2  VAL  15          HG21      VAL  15 -10.868   6.633  -0.502
  116   2HG2  VAL  15          HG22      VAL  15 -12.265   7.684  -0.788
  117   3HG2  VAL  15          HG23      VAL  15 -11.859   6.439  -1.969
  118    H    LYS  16          H         LYS  16 -10.778  11.076  -2.492
  119    HA   LYS  16          HA        LYS  16  -8.479  11.780  -4.046
  120   1HB   LYS  16          HB2       LYS  16 -10.856  13.513  -3.244
  121   2HB   LYS  16          HB3       LYS  16  -9.633  13.882  -4.467
  122   1HG   LYS  16          HG2       LYS  16 -10.304  11.898  -5.781
  123   2HG   LYS  16          HG3       LYS  16 -11.492  11.463  -4.553
  124   1HD   LYS  16          HD2       LYS  16 -12.576  12.580  -6.443
  125   2HD   LYS  16          HD3       LYS  16 -12.777  13.489  -4.943
  126   1HE   LYS  16          HE2       LYS  16 -12.310  14.946  -6.898
  127   2HE   LYS  16          HE3       LYS  16 -11.099  15.130  -5.631
  128   1HZ   LYS  16          HZ3       LYS  16 -10.800  13.496  -8.058
  129   2HZ   LYS  16          HZ1       LYS  16 -10.123  14.976  -7.800
  130   3HZ   LYS  16          HZ2       LYS  16  -9.659  13.690  -6.883
  131    H    ALA  17          H         ALA  17  -9.838  13.198  -1.017
  132    HA   ALA  17          HA        ALA  17  -7.939  15.168  -0.597
  133   1HB   ALA  17          HB1       ALA  17  -9.980  14.782   0.789
  134   2HB   ALA  17          HB2       ALA  17  -9.117  13.467   1.629
  135   3HB   ALA  17          HB3       ALA  17  -8.514  15.127   1.731
  136    H    MET  18          H         MET  18  -7.639  11.743   0.587
  137    HA   MET  18          HA        MET  18  -4.995  12.133   1.602
  138   1HB   MET  18          HB2       MET  18  -6.511   9.636   0.785
  139   2HB   MET  18          HB3       MET  18  -4.807   9.608   1.237
  140   1HG   MET  18          HG2       MET  18  -5.785   9.126   3.245
  141   2HG   MET  18          HG3       MET  18  -5.415  10.835   3.388
  142   1HE   MET  18          HE1       MET  18  -7.976   7.999   3.306
  143   2HE   MET  18          HE2       MET  18  -9.538   8.812   3.095
  144   3HE   MET  18          HE3       MET  18  -8.373   8.769   1.754
  145    H    LEU  19          H         LEU  19  -6.083  10.829  -1.605
  146    HA   LEU  19          HA        LEU  19  -3.509  10.308  -2.632
  147   1HB   LEU  19          HB2       LEU  19  -6.064  11.210  -3.995
  148   2HB   LEU  19          HB3       LEU  19  -4.615  10.790  -4.907
  149    HG   LEU  19          HG        LEU  19  -5.905   8.837  -2.961
  150   1HD1  LEU  19          HD13      LEU  19  -7.543   9.480  -4.703
  151   2HD1  LEU  19          HD11      LEU  19  -6.346   9.135  -5.966
  152   3HD1  LEU  19          HD12      LEU  19  -6.968   7.819  -4.949
  153   1HD2  LEU  19          HD23      LEU  19  -4.016   8.440  -5.331
  154   2HD2  LEU  19          HD21      LEU  19  -3.547   8.325  -3.626
  155   3HD2  LEU  19          HD22      LEU  19  -4.688   7.160  -4.302
  156    H    GLU  20          H         GLU  20  -5.266  13.385  -2.566
  157    HA   GLU  20          HA        GLU  20  -3.476  14.901  -4.164
  158   1HB   GLU  20          HB2       GLU  20  -5.353  15.668  -1.901
  159   2HB   GLU  20          HB3       GLU  20  -4.465  16.855  -2.860
  160   1HG   GLU  20          HG2       GLU  20  -5.580  16.258  -4.883
  161   2HG   GLU  20          HG3       GLU  20  -6.253  14.780  -4.193
  162    HE1  GLU  20          HE        GLU  20  -7.883  18.179  -2.788
  163    H    LYS  21          H         LYS  21  -2.988  13.675  -0.881
  164    HA   LYS  21          HA        LYS  21  -1.099  15.776  -0.149
  165   1HB   LYS  21          HB2       LYS  21  -1.611  13.028   1.034
  166   2HB   LYS  21          HB3       LYS  21  -0.484  14.233   1.684
  167   1HG   LYS  21          HG2       LYS  21  -2.333  15.836   1.997
  168   2HG   LYS  21          HG3       LYS  21  -3.464  14.715   1.242
  169   1HD   LYS  21          HD2       LYS  21  -3.724  14.659   3.659
  170   2HD   LYS  21          HD3       LYS  21  -3.201  13.097   3.036
  171   1HE   LYS  21          HE2       LYS  21  -2.052  13.680   5.141
  172   2HE   LYS  21          HE3       LYS  21  -0.893  13.508   3.823
  173   1HZ   LYS  21          HZ3       LYS  21  -1.965  16.055   4.824
  174   2HZ   LYS  21          HZ1       LYS  21  -0.476  15.437   5.163
  175   3HZ   LYS  21          HZ2       LYS  21  -0.849  15.883   3.623
  176    H    ASP  22          H         ASP  22  -0.648  12.314  -0.868
  177    HA   ASP  22          HA        ASP  22   1.047  11.082  -1.698
  178   1HB   ASP  22          HB2       ASP  22   0.321  11.790  -3.736
  179   2HB   ASP  22          HB3       ASP  22   0.926  13.445  -3.551
  180    HD2  ASP  22          HD        ASP  22   3.910  12.813  -5.050
  181    H    THR  23          H         THR  23   2.555  14.347  -1.642
  182    HA   THR  23          HA        THR  23   4.656  15.031  -1.173
  183    HB   THR  23          HB        THR  23   5.536  14.176   1.071
  184    HG1  THR  23          HG1       THR  23   3.969  12.185   0.659
  185   1HG2  THR  23          HG21      THR  23   4.105  16.176   0.863
  186   2HG2  THR  23          HG22      THR  23   2.653  15.151   0.928
  187   3HG2  THR  23          HG23      THR  23   3.734  15.253   2.333
  188    H    GLY  24          H         GLY  24   4.652  13.174  -3.215
  189   1HA   GLY  24          HA2       GLY  24   7.342  11.845  -2.976
  190   2HA   GLY  24          HA3       GLY  24   5.889  10.996  -3.482
  191    H    LYS  25          H         LYS  25   8.561  12.582  -4.576
  192    HA   LYS  25          HA        LYS  25   7.547  14.002  -6.906
  193   1HB   LYS  25          HB2       LYS  25  10.298  13.122  -5.966
  194   2HB   LYS  25          HB3       LYS  25  10.028  14.147  -7.381
  195   1HG   LYS  25          HG2       LYS  25   9.432  16.001  -6.109
  196   2HG   LYS  25          HG3       LYS  25   8.796  15.041  -4.773
  197   1HD   LYS  25          HD2       LYS  25  10.833  16.162  -4.080
  198   2HD   LYS  25          HD3       LYS  25  11.027  14.408  -4.034
  199   1HE   LYS  25          HE2       LYS  25  12.282  14.470  -6.174
  200   2HE   LYS  25          HE3       LYS  25  12.023  16.221  -6.287
  201   1HZ   LYS  25          HZ3       LYS  25  13.467  14.852  -4.124
  202   2HZ   LYS  25          HZ1       LYS  25  14.169  15.648  -5.388
  203   3HZ   LYS  25          HZ2       LYS  25  13.273  16.477  -4.282
  204    H    VAL  26          H         VAL  26   6.904  12.950  -8.707
  205    HA   VAL  26          HA        VAL  26   7.126  10.127  -9.046
  206    HB   VAL  26          HB        VAL  26   6.234  12.218 -11.069
  207   1HG1  VAL  26          HG12      VAL  26   6.551   9.922 -12.018
  208   2HG1  VAL  26          HG13      VAL  26   5.516   9.262 -10.739
  209   3HG1  VAL  26          HG11      VAL  26   4.846  10.371 -11.952
  210   1HG2  VAL  26          HG22      VAL  26   4.963  12.504  -8.937
  211   2HG2  VAL  26          HG23      VAL  26   3.967  11.849 -10.226
  212   3HG2  VAL  26          HG21      VAL  26   4.579  10.771  -8.954
  213    H    SER  27          H         SER  27   9.441   9.860  -8.925
  214    HA   SER  27          HA        SER  27  11.150  10.899 -11.066
  215   1HB   SER  27          HB2       SER  27  11.953   8.833  -9.004
  216   2HB   SER  27          HB3       SER  27  12.934  10.034  -9.824
  217    HG   SER  27          HG        SER  27  10.806  10.773  -8.065
  218    H    GLY  28          H         GLY  28   9.541   9.899 -12.601
  219   1HA   GLY  28          HA2       GLY  28   9.100   8.343 -14.254
  220   2HA   GLY  28          HA3       GLY  28  10.592   7.488 -13.818
  221    H    ASP  29          H         ASP  29  10.301   5.491 -12.858
  222    HA   ASP  29          HA        ASP  29   7.613   4.623 -12.086
  223   1HB   ASP  29          HB2       ASP  29   9.040   3.014 -13.197
  224   2HB   ASP  29          HB3       ASP  29  10.255   3.159 -11.906
  225    HD1  ASP  29          HD        ASP  29   6.776   1.275 -11.063
  226    H    THR  30          H         THR  30  10.282   6.184 -10.491
  227    HA   THR  30          HA        THR  30   9.619   4.936  -7.910
  228    HB   THR  30          HB        THR  30  12.009   6.571  -8.752
  229    HG1  THR  30          HG1       THR  30  11.891   4.551  -9.724
  230   1HG2  THR  30          HG23      THR  30  11.426   5.028  -6.198
  231   2HG2  THR  30          HG21      THR  30  12.997   5.684  -6.727
  232   3HG2  THR  30          HG22      THR  30  11.651   6.779  -6.341
  233    H    VAL  31          H         VAL  31   8.113   5.998  -6.701
  234    HA   VAL  31          HA        VAL  31   7.790   8.946  -6.943
  235    HB   VAL  31          HB        VAL  31   6.251   6.784  -5.486
  236   1HG1  VAL  31          HG13      VAL  31   5.995   9.817  -5.397
  237   2HG1  VAL  31          HG11      VAL  31   4.744   8.728  -4.791
  238   3HG1  VAL  31          HG12      VAL  31   6.332   8.754  -4.000
  239   1HG2  VAL  31          HG22      VAL  31   5.750   7.066  -7.888
  240   2HG2  VAL  31          HG23      VAL  31   4.369   7.588  -6.906
  241   3HG2  VAL  31          HG21      VAL  31   5.420   8.791  -7.640
  242    H    THR  32          H         THR  32   9.241  10.149  -5.816
  243    HA   THR  32          HA        THR  32  10.896   8.823  -3.725
  244    HB   THR  32          HB        THR  32  11.455  11.136  -5.613
  245    HG1  THR  32          HG1       THR  32  12.142   9.653  -6.851
  246   1HG2  THR  32          HG21      THR  32  13.222   9.869  -3.483
  247   2HG2  THR  32          HG22      THR  32  13.834  10.845  -4.834
  248   3HG2  THR  32          HG23      THR  32  12.751  11.570  -3.638
  249    H    TYR  33          H         TYR  33  10.677   9.443  -1.684
  250    HA   TYR  33          HA        TYR  33   9.196  11.897  -1.005
  251   1HB   TYR  33          HB2       TYR  33  10.387   9.605   0.593
  252   2HB   TYR  33          HB3       TYR  33   9.699  11.042   1.336
  253    HD1  TYR  33          HD2       TYR  33   8.868   8.160  -0.921
  254    HD2  TYR  33          HD1       TYR  33   7.350  11.425   1.460
  255    HE1  TYR  33          HE2       TYR  33   6.546   7.462  -1.418
  256    HE2  TYR  33          HE1       TYR  33   5.051  10.584   1.129
  257    HH   TYR  33          HH        TYR  33   3.721   9.245  -0.144
  258    H    SER  34          H         SER  34  10.133  13.222   0.783
  259    HA   SER  34          HA        SER  34  13.016  13.635   0.850
  260   1HB   SER  34          HB2       SER  34  11.292  15.726  -0.564
  261   2HB   SER  34          HB3       SER  34  13.010  15.868  -0.170
  262    HG   SER  34          HG        SER  34  12.788  13.628  -1.519
  263    H    GLY  35          H         GLY  35  11.265  13.022   2.892
  264   1HA   GLY  35          HA2       GLY  35  11.676  15.101   4.755
  265   2HA   GLY  35          HA3       GLY  35   9.978  15.125   4.211
  266    H    LYS  36          H         LYS  36  10.412  14.464   6.841
  267    HA   LYS  36          HA        LYS  36  10.737  11.592   7.167
  268   1HB   LYS  36          HB2       LYS  36   9.902  13.791   9.093
  269   2HB   LYS  36          HB3       LYS  36  10.168  12.111   9.562
  270   1HG   LYS  36          HG2       LYS  36  12.317  13.877   8.296
  271   2HG   LYS  36          HG3       LYS  36  12.078  13.648  10.032
  272   1HD   LYS  36          HD2       LYS  36  12.455  11.185   9.761
  273   2HD   LYS  36          HD3       LYS  36  12.759  11.436   8.032
  274   1HE   LYS  36          HE2       LYS  36  14.865  11.246   9.152
  275   2HE   LYS  36          HE3       LYS  36  14.681  12.911   8.575
  276   1HZ   LYS  36          HZ3       LYS  36  14.191  11.986  11.325
  277   2HZ   LYS  36          HZ1       LYS  36  15.533  12.788  10.806
  278   3HZ   LYS  36          HZ2       LYS  36  14.071  13.544  10.797
  279    H    THR  37          H         THR  37   7.946  13.803   6.921
  280    HA   THR  37          HA        THR  37   6.062  11.822   7.827
  281    HB   THR  37          HB        THR  37   5.489  14.347   6.228
  282    HG1  THR  37          HG1       THR  37   6.042  14.070   8.995
  283   1HG2  THR  37          HG22      THR  37   3.984  12.881   8.454
  284   2HG2  THR  37          HG23      THR  37   3.468  14.382   7.655
  285   3HG2  THR  37          HG21      THR  37   3.556  12.869   6.732
  286    H    VAL  38          H         VAL  38   6.870  10.078   6.398
  287    HA   VAL  38          HA        VAL  38   6.445  10.378   3.510
  288    HB   VAL  38          HB        VAL  38   7.566   8.188   5.253
  289   1HG1  VAL  38          HG11      VAL  38   7.081   8.146   2.245
  290   2HG1  VAL  38          HG12      VAL  38   8.219   7.092   3.094
  291   3HG1  VAL  38          HG13      VAL  38   6.494   6.983   3.440
  292   1HG2  VAL  38          HG23      VAL  38   8.937  10.210   4.841
  293   2HG2  VAL  38          HG21      VAL  38   9.617   8.799   4.014
  294   3HG2  VAL  38          HG22      VAL  38   8.730  10.030   3.106
  295    H    HIS  39          H         HIS  39   4.316  10.893   3.450
  296    HA   HIS  39          HA        HIS  39   2.250   9.039   4.347
  297   1HB   HIS  39          HB2       HIS  39   2.078  11.533   4.395
  298   2HB   HIS  39          HB3       HIS  39   2.069  11.548   2.629
  299    HD1  HIS  39          HD1       HIS  39  -0.340  11.428   1.629
  300    HD2  HIS  39          HD2       HIS  39   0.055   9.745   5.469
  301    HE1  HIS  39          HE1       HIS  39  -2.694  10.683   2.349
  302    HE2  HIS  39          HE2       HIS  39  -2.413   9.613   4.678
  303    H    VAL  40          H         VAL  40   2.139   7.131   3.210
  304    HA   VAL  40          HA        VAL  40   2.449   7.140   0.227
  305    HB   VAL  40          HB        VAL  40   2.711   4.960   2.317
  306   1HG1  VAL  40          HG11      VAL  40   2.952   4.777  -0.717
  307   2HG1  VAL  40          HG12      VAL  40   3.420   3.505   0.437
  308   3HG1  VAL  40          HG13      VAL  40   1.728   3.970   0.285
  309   1HG2  VAL  40          HG22      VAL  40   4.618   6.554   2.159
  310   2HG2  VAL  40          HG23      VAL  40   5.043   4.907   1.674
  311   3HG2  VAL  40          HG21      VAL  40   4.777   6.152   0.437
  312    H    VAL  41          H         VAL  41   0.474   7.373  -0.776
  313    HA   VAL  41          HA        VAL  41  -1.924   6.359   0.594
  314    HB   VAL  41          HB        VAL  41  -1.900   7.932  -1.971
  315   1HG1  VAL  41          HG12      VAL  41  -3.855   7.621   0.339
  316   2HG1  VAL  41          HG13      VAL  41  -4.078   8.683  -1.059
  317   3HG1  VAL  41          HG11      VAL  41  -4.025   6.926  -1.287
  318   1HG2  VAL  41          HG23      VAL  41  -1.675   8.950   0.876
  319   2HG2  VAL  41          HG21      VAL  41  -0.509   9.248  -0.433
  320   3HG2  VAL  41          HG22      VAL  41  -2.114   9.951  -0.525
  321    H    ALA  42          H         ALA  42  -2.194   4.212   0.295
  322    HA   ALA  42          HA        ALA  42  -1.680   2.950  -2.361
  323   1HB   ALA  42          HB2       ALA  42  -1.908   1.778   0.428
  324   2HB   ALA  42          HB3       ALA  42  -1.672   0.850  -1.071
  325   3HB   ALA  42          HB1       ALA  42  -0.431   1.999  -0.528
  326    H    ALA  43          H         ALA  43  -3.420   3.000  -3.610
  327    HA   ALA  43          HA        ALA  43  -6.158   2.600  -2.562
  328   1HB   ALA  43          HB3       ALA  43  -5.023   3.461  -5.242
  329   2HB   ALA  43          HB1       ALA  43  -6.735   3.150  -4.942
  330   3HB   ALA  43          HB2       ALA  43  -5.905   4.451  -4.065
  331    H    ALA  44          H         ALA  44  -6.682   0.462  -2.328
  332    HA   ALA  44          HA        ALA  44  -5.361  -1.552  -4.098
  333   1HB   ALA  44          HB3       ALA  44  -5.247  -1.799  -1.631
  334   2HB   ALA  44          HB1       ALA  44  -6.995  -2.100  -1.634
  335   3HB   ALA  44          HB2       ALA  44  -5.920  -3.190  -2.512
  336    H    VAL  45          H         VAL  45  -6.463  -1.311  -5.965
  337    HA   VAL  45          HA        VAL  45  -8.023  -1.622  -7.528
  338    HB   VAL  45          HB        VAL  45  -8.813  -3.976  -5.792
  339   1HG1  VAL  45          HG12      VAL  45 -10.137  -3.531  -7.934
  340   2HG1  VAL  45          HG13      VAL  45  -8.626  -3.716  -8.832
  341   3HG1  VAL  45          HG11      VAL  45  -9.279  -5.073  -7.878
  342   1HG2  VAL  45          HG22      VAL  45  -6.444  -3.727  -7.692
  343   2HG2  VAL  45          HG23      VAL  45  -6.361  -3.939  -5.928
  344   3HG2  VAL  45          HG21      VAL  45  -7.020  -5.225  -6.939
  345    H    LEU  46          H         LEU  46  -9.004   0.444  -6.761
  346    HA   LEU  46          HA        LEU  46 -11.350   0.280  -5.101
  347   1HB   LEU  46          HB2       LEU  46 -10.559   2.543  -6.976
  348   2HB   LEU  46          HB3       LEU  46 -11.644   2.643  -5.588
  349    HG   LEU  46          HG        LEU  46  -8.643   2.202  -5.577
  350   1HD1  LEU  46          HD12      LEU  46  -9.420   4.520  -5.908
  351   2HD1  LEU  46          HD13      LEU  46 -10.444   4.398  -4.462
  352   3HD1  LEU  46          HD11      LEU  46  -8.680   4.348  -4.305
  353   1HD2  LEU  46          HD22      LEU  46 -10.561   2.116  -3.207
  354   2HD2  LEU  46          HD23      LEU  46  -9.513   0.795  -3.775
  355   3HD2  LEU  46          HD21      LEU  46  -8.792   2.260  -3.108
  356    HA   PRO  47          HA        PRO  47 -14.645  -0.687  -7.947
  357   1HB   PRO  47          HB2       PRO  47 -15.841   1.924  -6.968
  358   2HB   PRO  47          HB3       PRO  47 -16.668   0.369  -7.284
  359   1HG   PRO  47          HG2       PRO  47 -15.965   0.987  -4.745
  360   2HG   PRO  47          HG3       PRO  47 -15.573  -0.646  -5.370
  361   1HD   PRO  47          HD2       PRO  47 -13.742   1.736  -5.133
  362   2HD   PRO  47          HD3       PRO  47 -13.456   0.027  -4.693
  363    H    GLY  48          H         GLY  48 -13.998  -0.528  -9.994
  364   1HA   GLY  48          HA2       GLY  48 -14.464   1.084 -12.033
  365   2HA   GLY  48          HA3       GLY  48 -13.178   2.029 -11.238
  366    H    PHE  49          H         PHE  49 -11.569   0.166 -10.133
  367    HA   PHE  49          HA        PHE  49 -10.276  -1.184 -12.424
  368   1HB   PHE  49          HB2       PHE  49  -9.576  -1.026  -9.466
  369   2HB   PHE  49          HB3       PHE  49  -8.610  -1.829 -10.693
  370    HD1  PHE  49          HD2       PHE  49  -7.493  -0.482 -12.516
  371    HD2  PHE  49          HD1       PHE  49  -9.497   1.388  -9.184
  372    HE1  PHE  49          HE2       PHE  49  -6.352   1.659 -13.024
  373    HE2  PHE  49          HE1       PHE  49  -8.341   3.518  -9.687
  374    HZ   PHE  49          HZ        PHE  49  -6.785   3.668 -11.622
  375    HA   PRO  50          HA        PRO  50 -12.815  -4.706 -10.930
  376   1HB   PRO  50          HB2       PRO  50 -12.012  -6.632 -12.733
  377   2HB   PRO  50          HB3       PRO  50 -13.223  -5.370 -13.077
  378   1HG   PRO  50          HG2       PRO  50 -10.327  -5.417 -13.908
  379   2HG   PRO  50          HG3       PRO  50 -11.744  -4.872 -14.830
  380   1HD   PRO  50          HD2       PRO  50 -10.030  -3.162 -13.497
  381   2HD   PRO  50          HD3       PRO  50 -11.755  -2.785 -13.785
  382    H    PHE  51          H         PHE  51  -9.513  -5.419 -12.107
  383    HA   PHE  51          HA        PHE  51  -8.255  -6.009  -9.639
  384   1HB   PHE  51          HB2       PHE  51  -9.280  -8.270 -11.422
  385   2HB   PHE  51          HB3       PHE  51  -7.850  -8.503 -10.455
  386    HD1  PHE  51          HD1       PHE  51  -8.165  -7.713  -7.831
  387    HD2  PHE  51          HD2       PHE  51 -11.255  -9.164 -10.480
  388    HE1  PHE  51          HE1       PHE  51  -9.499  -8.475  -5.886
  389    HE2  PHE  51          HE2       PHE  51 -12.562  -9.922  -8.519
  390    HZ   PHE  51          HZ        PHE  51 -11.675  -9.570  -6.219
  391    HA   PRO  52          HA        PRO  52  -6.408  -7.231  -9.271
  392   1HB   PRO  52          HB2       PRO  52  -4.123  -8.538  -9.577
  393   2HB   PRO  52          HB3       PRO  52  -5.533  -9.063 -10.535
  394   1HG   PRO  52          HG2       PRO  52  -3.219  -7.325 -11.440
  395   2HG   PRO  52          HG3       PRO  52  -3.951  -8.713 -12.283
  396   1HD   PRO  52          HD2       PRO  52  -4.646  -6.018 -12.742
  397   2HD   PRO  52          HD3       PRO  52  -5.678  -7.415 -13.107
  398    H    SER  53          H         SER  53  -4.236  -4.994 -10.991
  399    HA   SER  53          HA        SER  53  -2.206  -5.069  -9.127
  400   1HB   SER  53          HB2       SER  53  -1.562  -2.866 -10.455
  401   2HB   SER  53          HB3       SER  53  -1.678  -4.402 -11.332
  402    HG   SER  53          HG        SER  53  -3.961  -2.778 -10.987
  403    H    PHE  54          H         PHE  54  -1.337  -3.640  -7.605
  404    HA   PHE  54          HA        PHE  54  -3.183  -1.994  -6.055
  405   1HB   PHE  54          HB2       PHE  54  -0.136  -2.329  -6.081
  406   2HB   PHE  54          HB3       PHE  54  -0.880  -1.052  -5.158
  407    HD1  PHE  54          HD2       PHE  54  -3.092  -1.950  -3.731
  408    HD2  PHE  54          HD1       PHE  54   0.810  -3.646  -4.332
  409    HE1  PHE  54          HE2       PHE  54  -3.342  -3.276  -1.648
  410    HE2  PHE  54          HE1       PHE  54   0.611  -4.872  -2.193
  411    HZ   PHE  54          HZ        PHE  54  -1.492  -4.723  -0.862
  412    H    GLU  55          H         GLU  55  -3.588   0.195  -6.271
  413    HA   GLU  55          HA        GLU  55  -1.912   1.683  -8.219
  414   1HB   GLU  55          HB2       GLU  55  -4.463   2.891  -7.382
  415   2HB   GLU  55          HB3       GLU  55  -3.487   2.876  -8.872
  416   1HG   GLU  55          HG2       GLU  55  -5.479   1.807  -9.472
  417   2HG   GLU  55          HG3       GLU  55  -4.310   0.501  -9.298
  418    HE2  GLU  55          HE        GLU  55  -4.928  -1.114  -7.930
  419    H    VAL  56          H         VAL  56  -0.666   3.401  -7.356
  420    HA   VAL  56          HA        VAL  56  -1.153   4.049  -4.482
  421    HB   VAL  56          HB        VAL  56   1.604   3.343  -5.432
  422   1HG1  VAL  56          HG13      VAL  56   1.319   4.798  -3.393
  423   2HG1  VAL  56          HG11      VAL  56   0.503   3.444  -2.607
  424   3HG1  VAL  56          HG12      VAL  56   2.192   3.285  -3.110
  425   1HG2  VAL  56          HG23      VAL  56  -0.327   1.478  -3.991
  426   2HG2  VAL  56          HG21      VAL  56   0.385   1.226  -5.604
  427   3HG2  VAL  56          HG22      VAL  56   1.415   1.197  -4.171
  428    H    HIS  57          H         HIS  57  -1.120   6.135  -4.232
  429    HA   HIS  57          HA        HIS  57  -1.385   8.269  -5.293
  430   1HB   HIS  57          HB2       HIS  57   0.594   9.495  -4.400
  431   2HB   HIS  57          HB3       HIS  57  -0.290   8.501  -3.261
  432    HD1  HIS  57          HD1       HIS  57   2.251   6.758  -5.477
  433    HD2  HIS  57          HD2       HIS  57   1.930   8.576  -1.702
  434    HE1  HIS  57          HE1       HIS  57   4.320   5.993  -4.111
  435    HE2  HIS  57          HE2       HIS  57   4.106   7.189  -1.820
  436    H    ASP  58          H         ASP  58  -1.514   8.681  -7.414
  437    HA   ASP  58          HA        ASP  58  -0.906   9.540  -9.394
  438   1HB   ASP  58          HB2       ASP  58   0.835  10.884  -8.348
  439   2HB   ASP  58          HB3       ASP  58   1.994   9.554  -8.543
  440    HD1  ASP  58          HD        ASP  58   0.830  11.558 -11.800
  441    H    LYS  59          H         LYS  59   0.806   6.656  -8.268
  442    HA   LYS  59          HA        LYS  59   1.106   5.714 -11.094
  443   1HB   LYS  59          HB2       LYS  59   2.740   5.513  -8.553
  444   2HB   LYS  59          HB3       LYS  59   3.071   4.478  -9.932
  445   1HG   LYS  59          HG2       LYS  59   2.948   7.497 -10.244
  446   2HG   LYS  59          HG3       LYS  59   4.395   6.728  -9.637
  447   1HD   LYS  59          HD2       LYS  59   3.146   5.845 -12.282
  448   2HD   LYS  59          HD3       LYS  59   4.222   7.232 -12.136
  449   1HE   LYS  59          HE2       LYS  59   5.671   5.554 -12.715
  450   2HE   LYS  59          HE3       LYS  59   5.910   5.708 -10.958
  451   1HZ   LYS  59          HZ2       LYS  59   4.245   3.663 -12.281
  452   2HZ   LYS  59          HZ3       LYS  59   5.794   3.422 -11.774
  453   3HZ   LYS  59          HZ1       LYS  59   4.623   3.735 -10.676
  454    H    LYS  60          H         LYS  60   1.758   3.239 -10.807
  455    HA   LYS  60          HA        LYS  60  -0.075   1.768  -9.043
  456   1HB   LYS  60          HB2       LYS  60   0.304   1.459 -12.028
  457   2HB   LYS  60          HB3       LYS  60  -0.470   0.216 -11.022
  458   1HG   LYS  60          HG2       LYS  60  -2.336   1.686 -10.546
  459   2HG   LYS  60          HG3       LYS  60  -1.509   3.080 -11.236
  460   1HD   LYS  60          HD2       LYS  60  -3.214   2.288 -12.778
  461   2HD   LYS  60          HD3       LYS  60  -1.600   2.149 -13.477
  462   1HE   LYS  60          HE2       LYS  60  -2.978   0.170 -13.994
  463   2HE   LYS  60          HE3       LYS  60  -1.571  -0.278 -13.027
  464   1HZ   LYS  60          HZ1       LYS  60  -2.997  -0.255 -11.094
  465   2HZ   LYS  60          HZ2       LYS  60  -4.311   0.100 -12.030
  466   3HZ   LYS  60          HZ3       LYS  60  -3.511  -1.337 -12.218
  467    H    ASN  61          H         ASN  61   1.027   0.311  -7.983
  468    HA   ASN  61          HA        ASN  61   2.933  -0.581  -7.055
  469   1HB   ASN  61          HB2       ASN  61   3.208  -1.565  -9.912
  470   2HB   ASN  61          HB3       ASN  61   4.126  -2.180  -8.560
  471   1HD2  ASN  61          HD22      ASN  61   0.211  -3.275  -8.590
  472   2HD2  ASN  61          HD21      ASN  61   0.398  -1.516  -8.724
  473    HA   PRO  62          HA        PRO  62   5.939   2.554  -9.008
  474   1HB   PRO  62          HB2       PRO  62   5.977   4.502  -7.086
  475   2HB   PRO  62          HB3       PRO  62   4.803   4.502  -8.420
  476   1HG   PRO  62          HG2       PRO  62   4.429   3.412  -5.599
  477   2HG   PRO  62          HG3       PRO  62   3.355   4.546  -6.466
  478   1HD   PRO  62          HD2       PRO  62   2.854   1.851  -6.415
  479   2HD   PRO  62          HD3       PRO  62   2.572   2.824  -7.886
  480    H    THR  63          H         THR  63   8.028   2.965  -8.155
  481    HA   THR  63          HA        THR  63   8.801   1.223  -5.863
  482    HB   THR  63          HB        THR  63  10.416   2.785  -7.931
  483    HG1  THR  63          HG1       THR  63   9.590   0.944  -8.775
  484   1HG2  THR  63          HG23      THR  63  11.199   1.166  -5.506
  485   2HG2  THR  63          HG21      THR  63  12.316   1.440  -6.872
  486   3HG2  THR  63          HG22      THR  63  11.726   2.813  -5.927
  487    H    LEU  64          H         LEU  64   9.604   2.209  -3.916
  488    HA   LEU  64          HA        LEU  64   8.936   5.122  -3.615
  489   1HB   LEU  64          HB2       LEU  64   8.596   2.709  -1.859
  490   2HB   LEU  64          HB3       LEU  64   8.901   4.288  -1.133
  491    HG   LEU  64          HG        LEU  64   6.968   5.270  -2.210
  492   1HD1  LEU  64          HD13      LEU  64   6.578   2.520  -3.445
  493   2HD1  LEU  64          HD11      LEU  64   5.257   3.692  -3.265
  494   3HD1  LEU  64          HD12      LEU  64   6.650   4.095  -4.266
  495   1HD2  LEU  64          HD23      LEU  64   6.772   4.191   0.003
  496   2HD2  LEU  64          HD21      LEU  64   5.269   4.053  -0.926
  497   3HD2  LEU  64          HD22      LEU  64   6.347   2.649  -0.779
  498    H    GLU  65          H         GLU  65  10.646   6.435  -3.323
  499    HA   GLU  65          HA        GLU  65  13.169   5.296  -2.127
  500   1HB   GLU  65          HB2       GLU  65  12.681   7.579  -4.003
  501   2HB   GLU  65          HB3       GLU  65  13.994   7.710  -2.815
  502   1HG   GLU  65          HG2       GLU  65  14.979   5.621  -3.564
  503   2HG   GLU  65          HG3       GLU  65  13.694   5.358  -4.725
  504    HE1  GLU  65          HE        GLU  65  13.606   8.121  -5.727
  505    H    ILE  66          H         ILE  66  13.349   5.570  -0.037
  506    HA   ILE  66          HA        ILE  66  11.759   7.695   1.315
  507    HB   ILE  66          HB        ILE  66  12.298   4.794   1.926
  508   1HG1  ILE  66          HG12      ILE  66   9.811   6.480   1.457
  509   2HG1  ILE  66          HG13      ILE  66  10.446   5.139   0.495
  510   1HG2  ILE  66          HG22      ILE  66  12.687   6.056   4.053
  511   2HG2  ILE  66          HG23      ILE  66  11.118   6.864   3.841
  512   3HG2  ILE  66          HG21      ILE  66  11.215   5.118   4.139
  513   1HD1  ILE  66          HD11      ILE  66  10.054   3.652   2.540
  514   2HD1  ILE  66          HD12      ILE  66   9.122   4.991   3.216
  515   3HD1  ILE  66          HD13      ILE  66   8.604   4.255   1.698
  516    HA   PRO  67          HA        PRO  67  15.823   8.632   3.099
  517   1HB   PRO  67          HB2       PRO  67  15.128  10.661   4.775
  518   2HB   PRO  67          HB3       PRO  67  15.259  10.854   3.004
  519   1HG   PRO  67          HG2       PRO  67  12.768  10.461   4.643
  520   2HG   PRO  67          HG3       PRO  67  13.029  11.590   3.292
  521   1HD   PRO  67          HD2       PRO  67  11.778   9.149   3.026
  522   2HD   PRO  67          HD3       PRO  67  12.710   9.902   1.698
  523    H    ALA  68          H         ALA  68  16.566   7.162   4.530
  524    HA   ALA  68          HA        ALA  68  15.100   5.609   6.293
  525   1HB   ALA  68          HB1       ALA  68  17.395   5.093   5.548
  526   2HB   ALA  68          HB2       ALA  68  18.023   6.441   6.521
  527   3HB   ALA  68          HB3       ALA  68  17.278   5.037   7.319
  528    H    GLY  69          H         GLY  69  14.415   5.734   8.385
  529   1HA   GLY  69          HA2       GLY  69  14.279   6.611  10.565
  530   2HA   GLY  69          HA3       GLY  69  15.085   8.099  10.066
  531    H    ALA  70          H         ALA  70  13.047   7.847   7.542
  532    HA   ALA  70          HA        ALA  70  11.110   9.662   8.469
  533   1HB   ALA  70          HB3       ALA  70  11.047   7.640   6.194
  534   2HB   ALA  70          HB1       ALA  70   9.846   8.919   6.436
  535   3HB   ALA  70          HB2       ALA  70  11.533   9.353   6.106
  536    H    THR  71          H         THR  71   8.857   9.442   8.724
  537    HA   THR  71          HA        THR  71   7.961   6.970  10.130
  538    HB   THR  71          HB        THR  71   6.790   9.786   9.998
  539    HG1  THR  71          HG1       THR  71   8.720   9.410  11.274
  540   1HG2  THR  71          HG23      THR  71   5.894   7.247  11.438
  541   2HG2  THR  71          HG21      THR  71   5.294   8.879  11.822
  542   3HG2  THR  71          HG22      THR  71   4.996   8.178  10.223
  543    H    VAL  72          H         VAL  72   7.255   5.574   8.611
  544    HA   VAL  72          HA        VAL  72   6.220   6.527   6.026
  545    HB   VAL  72          HB        VAL  72   6.901   3.725   6.999
  546   1HG1  VAL  72          HG11      VAL  72   5.262   3.819   5.099
  547   2HG1  VAL  72          HG12      VAL  72   6.373   4.858   4.202
  548   3HG1  VAL  72          HG13      VAL  72   6.833   3.188   4.582
  549   1HG2  VAL  72          HG22      VAL  72   8.437   5.730   5.274
  550   2HG2  VAL  72          HG23      VAL  72   8.905   5.216   6.892
  551   3HG2  VAL  72          HG21      VAL  72   8.911   4.042   5.565
  552    H    ASP  73          H         ASP  73   4.224   7.295   6.389
  553    HA   ASP  73          HA        ASP  73   2.189   5.715   7.891
  554   1HB   ASP  73          HB2       ASP  73   2.293   8.512   6.775
  555   2HB   ASP  73          HB3       ASP  73   0.733   7.682   6.875
  556    HD1  ASP  73          HD        ASP  73   0.727   7.249  10.295
  557    H    VAL  74          H         VAL  74   1.964   3.865   6.741
  558    HA   VAL  74          HA        VAL  74   1.476   3.999   3.832
  559    HB   VAL  74          HB        VAL  74   1.267   1.649   5.714
  560   1HG1  VAL  74          HG11      VAL  74   1.463   1.888   2.662
  561   2HG1  VAL  74          HG12      VAL  74   1.459   0.366   3.565
  562   3HG1  VAL  74          HG13      VAL  74   0.015   1.393   3.560
  563   1HG2  VAL  74          HG22      VAL  74   3.580   2.572   3.981
  564   2HG2  VAL  74          HG23      VAL  74   3.547   2.446   5.762
  565   3HG2  VAL  74          HG21      VAL  74   3.466   0.990   4.777
  566    H    THR  75          H         THR  75  -0.245   5.252   3.580
  567    HA   THR  75          HA        THR  75  -2.726   4.962   5.126
  568    HB   THR  75          HB        THR  75  -1.845   6.824   2.895
  569    HG1  THR  75          HG1       THR  75  -2.196   7.251   5.674
  570   1HG2  THR  75          HG23      THR  75  -4.348   6.871   4.638
  571   2HG2  THR  75          HG21      THR  75  -3.776   8.190   3.591
  572   3HG2  THR  75          HG22      THR  75  -4.292   6.656   2.878
  573    H    PHE  76          H         PHE  76  -3.569   2.964   4.550
  574    HA   PHE  76          HA        PHE  76  -3.869   2.239   1.730
  575   1HB   PHE  76          HB2       PHE  76  -4.939   1.191   4.353
  576   2HB   PHE  76          HB3       PHE  76  -5.794   0.733   2.918
  577    HD1  PHE  76          HD1       PHE  76  -3.758   0.233   0.891
  578    HD2  PHE  76          HD2       PHE  76  -4.168  -1.014   4.997
  579    HE1  PHE  76          HE1       PHE  76  -3.945  -2.082   0.170
  580    HE2  PHE  76          HE2       PHE  76  -4.307  -3.363   4.252
  581    HZ   PHE  76          HZ        PHE  76  -4.377  -3.879   1.802
  582    H    ILE  77          H         ILE  77  -5.707   2.142   0.583
  583    HA   ILE  77          HA        ILE  77  -8.308   2.915   1.701
  584    HB   ILE  77          HB        ILE  77  -7.282   4.036  -0.947
  585   1HG1  ILE  77          HG12      ILE  77  -8.586   6.068   0.372
  586   2HG1  ILE  77          HG13      ILE  77  -7.956   5.211   1.759
  587   1HG2  ILE  77          HG23      ILE  77  -9.619   3.040  -1.056
  588   2HG2  ILE  77          HG21      ILE  77 -10.057   4.083   0.305
  589   3HG2  ILE  77          HG22      ILE  77  -9.592   4.782  -1.266
  590   1HD1  ILE  77          HD12      ILE  77  -5.638   5.380   0.721
  591   2HD1  ILE  77          HD13      ILE  77  -6.371   6.286  -0.625
  592   3HD1  ILE  77          HD11      ILE  77  -6.390   6.963   1.015
  593    H    ASN  78          H         ASN  78  -8.624   0.671   1.868
  594    HA   ASN  78          HA        ASN  78  -8.520  -0.852  -0.715
  595   1HB   ASN  78          HB2       ASN  78  -7.040  -2.087   0.628
  596   2HB   ASN  78          HB3       ASN  78  -8.017  -1.997   2.066
  597   1HD2  ASN  78          HD21      ASN  78  -9.281  -5.194   1.025
  598   2HD2  ASN  78          HD22      ASN  78  -8.263  -4.363   2.225
  599    H    THR  79          H         THR  79 -10.438  -0.861  -1.551
  600    HA   THR  79          HA        THR  79 -12.802  -1.444   0.106
  601    HB   THR  79          HB        THR  79 -12.570   1.110  -1.540
  602    HG1  THR  79          HG1       THR  79 -11.947   0.510   0.951
  603   1HG2  THR  79          HG21      THR  79 -14.935   0.008   0.023
  604   2HG2  THR  79          HG22      THR  79 -14.785   1.668  -0.584
  605   3HG2  THR  79          HG23      THR  79 -14.902   0.338  -1.719
  606    H    ASN  80          H         ASN  80 -11.178  -2.991  -1.633
  607    HA   ASN  80          HA        ASN  80 -12.605  -3.190  -4.187
  608   1HB   ASN  80          HB2       ASN  80 -10.179  -3.734  -3.912
  609   2HB   ASN  80          HB3       ASN  80 -10.634  -5.074  -2.864
  610   1HD2  ASN  80          HD22      ASN  80 -11.595  -5.286  -6.917
  611   2HD2  ASN  80          HD21      ASN  80 -11.528  -3.723  -6.102
  612    H    LYS  81          H         LYS  81 -14.601  -3.175  -2.774
  613    HA   LYS  81          HA        LYS  81 -16.211  -4.218  -1.462
  614   1HB   LYS  81          HB2       LYS  81 -16.364  -5.574  -4.186
  615   2HB   LYS  81          HB3       LYS  81 -17.705  -5.270  -3.070
  616   1HG   LYS  81          HG2       LYS  81 -17.143  -2.775  -3.283
  617   2HG   LYS  81          HG3       LYS  81 -16.042  -3.229  -4.603
  618   1HD   LYS  81          HD2       LYS  81 -17.980  -4.406  -5.731
  619   2HD   LYS  81          HD3       LYS  81 -19.052  -3.736  -4.488
  620   1HE   LYS  81          HE2       LYS  81 -17.368  -2.162  -6.495
  621   2HE   LYS  81          HE3       LYS  81 -19.126  -2.368  -6.517
  622   1HZ   LYS  81          HZ2       LYS  81 -19.203  -1.218  -4.393
  623   2HZ   LYS  81          HZ3       LYS  81 -17.579  -0.965  -4.457
  624   3HZ   LYS  81          HZ1       LYS  81 -18.557  -0.279  -5.590
  625    H    GLY  82          H         GLY  82 -15.108  -5.464   0.174
  626   1HA   GLY  82          HA2       GLY  82 -15.402  -7.426   1.395
  627   2HA   GLY  82          HA3       GLY  82 -15.716  -8.352  -0.067
  628    H    PHE  83          H         PHE  83 -13.129  -7.254  -1.379
  629    HA   PHE  83          HA        PHE  83 -11.519  -9.473  -0.382
  630   1HB   PHE  83          HB2       PHE  83 -11.095  -7.423  -2.556
  631   2HB   PHE  83          HB3       PHE  83  -9.886  -8.605  -2.114
  632    HD1  PHE  83          HD2       PHE  83 -13.396  -8.278  -3.408
  633    HD2  PHE  83          HD1       PHE  83 -10.009 -10.893  -2.818
  634    HE1  PHE  83          HE2       PHE  83 -14.548 -10.060  -4.665
  635    HE2  PHE  83          HE1       PHE  83 -11.147 -12.649  -4.142
  636    HZ   PHE  83          HZ        PHE  83 -13.423 -12.247  -5.055
  637    H    GLY  84          H         GLY  84 -10.850  -9.059   1.678
  638   1HA   GLY  84          HA2       GLY  84  -9.544  -6.683   2.662
  639   2HA   GLY  84          HA3       GLY  84  -9.519  -8.293   3.357
  640    H    HIS  85          H         HIS  85  -8.258  -6.779   0.345
  641    HA   HIS  85          HA        HIS  85  -6.383  -8.368  -0.439
  642   1HB   HIS  85          HB2       HIS  85  -6.332  -5.368  -0.349
  643   2HB   HIS  85          HB3       HIS  85  -4.954  -6.244  -1.014
  644    HD2  HIS  85          HD2       HIS  85  -8.531  -5.312  -1.829
  645    HE1  HIS  85          HE1       HIS  85  -7.291  -7.843  -5.002
  646    HE2  HIS  85          HE2       HIS  85  -9.151  -6.347  -4.159
  647    H    SER  86          H         SER  86  -5.560  -6.136   2.198
  648    HA   SER  86          HA        SER  86  -3.979  -6.212   3.795
  649   1HB   SER  86          HB2       SER  86  -2.676  -8.073   4.392
  650   2HB   SER  86          HB3       SER  86  -4.212  -8.752   3.861
  651    HG   SER  86          HG        SER  86  -3.141  -9.287   1.920
  652    H    PHE  87          H         PHE  87  -2.087  -5.045   3.842
  653    HA   PHE  87          HA        PHE  87  -0.457  -4.955   1.341
  654   1HB   PHE  87          HB2       PHE  87  -1.725  -2.858   2.045
  655   2HB   PHE  87          HB3       PHE  87  -0.687  -2.750   3.429
  656    HD1  PHE  87          HD2       PHE  87   1.919  -2.662   2.917
  657    HD2  PHE  87          HD1       PHE  87  -1.142  -1.904  -0.024
  658    HE1  PHE  87          HE2       PHE  87   3.438  -1.112   1.717
  659    HE2  PHE  87          HE1       PHE  87   0.465  -0.559  -1.340
  660    HZ   PHE  87          HZ        PHE  87   2.727  -0.081  -0.425
  661    H    ASP  88          H         ASP  88   1.320  -6.296   1.894
  662    HA   ASP  88          HA        ASP  88   2.170  -6.464   4.760
  663   1HB   ASP  88          HB2       ASP  88   2.585  -8.480   2.543
  664   2HB   ASP  88          HB3       ASP  88   2.834  -8.705   4.285
  665    HD2  ASP  88          HD        ASP  88  -0.823  -9.036   2.741
  666    H    ILE  89          H         ILE  89   4.391  -6.091   5.214
  667    HA   ILE  89          HA        ILE  89   6.045  -5.228   2.898
  668    HB   ILE  89          HB        ILE  89   5.831  -3.904   5.617
  669   1HG1  ILE  89          HG12      ILE  89   4.738  -3.104   2.888
  670   2HG1  ILE  89          HG13      ILE  89   3.801  -3.514   4.336
  671   1HG2  ILE  89          HG21      ILE  89   7.385  -3.165   3.107
  672   2HG2  ILE  89          HG22      ILE  89   7.270  -2.197   4.590
  673   3HG2  ILE  89          HG23      ILE  89   8.076  -3.751   4.639
  674   1HD1  ILE  89          HD12      ILE  89   4.873  -1.544   5.507
  675   2HD1  ILE  89          HD13      ILE  89   5.481  -1.034   3.909
  676   3HD1  ILE  89          HD11      ILE  89   3.741  -1.184   4.189
  677    H    THR  90          H         THR  90   8.109  -5.882   2.815
  678    HA   THR  90          HA        THR  90   9.504  -7.102   5.033
  679    HB   THR  90          HB        THR  90   8.039  -8.910   4.691
  680    HG1  THR  90          HG1       THR  90   9.778 -10.032   4.860
  681   1HG2  THR  90          HG23      THR  90   8.598  -8.829   1.695
  682   2HG2  THR  90          HG21      THR  90   7.672 -10.085   2.549
  683   3HG2  THR  90          HG22      THR  90   7.059  -8.439   2.496
  684    H    LYS  91          H         LYS  91  11.280  -8.602   3.393
  685    HA   LYS  91          HA        LYS  91  12.382  -6.476   1.576
  686   1HB   LYS  91          HB2       LYS  91  14.062  -8.287   3.354
  687   2HB   LYS  91          HB3       LYS  91  14.603  -6.984   2.283
  688   1HG   LYS  91          HG2       LYS  91  13.113  -5.420   3.710
  689   2HG   LYS  91          HG3       LYS  91  12.985  -6.756   4.853
  690   1HD   LYS  91          HD2       LYS  91  14.703  -5.317   5.638
  691   2HD   LYS  91          HD3       LYS  91  15.513  -6.766   5.027
  692   1HE   LYS  91          HE2       LYS  91  16.233  -5.600   3.017
  693   2HE   LYS  91          HE3       LYS  91  15.153  -4.237   3.342
  694   1HZ   LYS  91          HZ3       LYS  91  17.450  -4.996   4.998
  695   2HZ   LYS  91          HZ1       LYS  91  17.417  -3.762   3.911
  696   3HZ   LYS  91          HZ2       LYS  91  16.463  -3.698   5.245
  697    H    LYS  92          H         LYS  92  10.913  -9.365   1.475
  698    HA   LYS  92          HA        LYS  92  12.712 -10.801  -0.311
  699   1HB   LYS  92          HB2       LYS  92   9.743 -11.084   0.308
  700   2HB   LYS  92          HB3       LYS  92  10.672 -12.179  -0.734
  701   1HG   LYS  92          HG2       LYS  92  12.238 -12.648   1.126
  702   2HG   LYS  92          HG3       LYS  92  11.307 -11.619   2.213
  703   1HD   LYS  92          HD2       LYS  92  10.209 -14.088   0.783
  704   2HD   LYS  92          HD3       LYS  92  10.877 -14.108   2.414
  705   1HE   LYS  92          HE2       LYS  92   8.394 -12.555   1.536
  706   2HE   LYS  92          HE3       LYS  92   8.449 -14.034   2.496
  707   1HZ   LYS  92          HZ3       LYS  92   9.700 -12.825   4.160
  708   2HZ   LYS  92          HZ1       LYS  92   9.444 -11.415   3.340
  709   3HZ   LYS  92          HZ2       LYS  92   8.166 -12.287   3.926
  710    H    GLY  93          H         GLY  93  12.909 -10.515  -2.486
  711   1HA   GLY  93          HA2       GLY  93  11.491  -8.229  -3.713
  712   2HA   GLY  93          HA3       GLY  93  12.989  -8.989  -4.260
  713    HA   PRO  94          HA        PRO  94   9.349 -10.747  -6.691
  714   1HB   PRO  94          HB2       PRO  94   9.570  -9.344  -9.060
  715   2HB   PRO  94          HB3       PRO  94   8.653  -8.718  -7.662
  716   1HG   PRO  94          HG2       PRO  94  11.522  -8.109  -8.435
  717   2HG   PRO  94          HG3       PRO  94  10.222  -6.938  -8.056
  718   1HD   PRO  94          HD2       PRO  94  12.057  -7.739  -6.198
  719   2HD   PRO  94          HD3       PRO  94  10.350  -7.426  -5.746
  720    HA   PRO  95          HA        PRO  95   8.814 -11.481  -9.245
  721   1HB   PRO  95          HB2       PRO  95   9.470 -14.345  -9.831
  722   2HB   PRO  95          HB3       PRO  95   8.643 -13.150 -10.865
  723   1HG   PRO  95          HG2       PRO  95  11.220 -13.854 -11.363
  724   2HG   PRO  95          HG3       PRO  95  10.738 -12.132 -11.451
  725   1HD   PRO  95          HD2       PRO  95  12.035 -13.568  -9.104
  726   2HD   PRO  95          HD3       PRO  95  12.527 -12.040  -9.886
  727    H    TYR  96          H         TYR  96   7.093 -11.921  -7.864
  728    HA   TYR  96          HA        TYR  96   7.564 -13.616  -5.506
  729   1HB   TYR  96          HB2       TYR  96   5.125 -12.082  -6.371
  730   2HB   TYR  96          HB3       TYR  96   5.335 -12.907  -4.835
  731    HD1  TYR  96          HD1       TYR  96   7.362 -12.273  -3.372
  732    HD2  TYR  96          HD2       TYR  96   5.925  -9.789  -6.595
  733    HE1  TYR  96          HE1       TYR  96   8.687 -10.398  -2.509
  734    HE2  TYR  96          HE2       TYR  96   7.299  -7.910  -5.739
  735    HH   TYR  96          HH        TYR  96   9.315  -8.191  -2.806
  736    H    ALA  97          H         ALA  97   6.309 -15.414  -5.015
  737    HA   ALA  97          HA        ALA  97   5.645 -17.071  -7.367
  738   1HB   ALA  97          HB1       ALA  97   7.017 -18.045  -5.556
  739   2HB   ALA  97          HB2       ALA  97   5.712 -17.738  -4.391
  740   3HB   ALA  97          HB3       ALA  97   5.470 -18.899  -5.712
  741    H    VAL  98          H         VAL  98   3.610 -18.174  -7.529
  742    HA   VAL  98          HA        VAL  98   1.319 -16.563  -6.987
  743    HB   VAL  98          HB        VAL  98   1.619 -19.480  -7.769
  744   1HG1  VAL  98          HG11      VAL  98  -0.901 -17.754  -7.720
  745   2HG1  VAL  98          HG12      VAL  98  -0.765 -19.342  -8.500
  746   3HG1  VAL  98          HG13      VAL  98  -0.606 -19.213  -6.747
  747   1HG2  VAL  98          HG22      VAL  98   2.468 -17.867  -9.443
  748   2HG2  VAL  98          HG23      VAL  98   0.986 -18.646 -10.013
  749   3HG2  VAL  98          HG21      VAL  98   0.928 -16.986  -9.384
  750    H    MET  99          H         MET  99   2.941 -19.142  -5.166
  751    HA   MET  99          HA        MET  99   0.852 -19.277  -3.124
  752   1HB   MET  99          HB2       MET  99   3.680 -20.330  -3.199
  753   2HB   MET  99          HB3       MET  99   2.512 -20.610  -1.892
  754   1HG   MET  99          HG2       MET  99   0.926 -21.589  -3.619
  755   2HG   MET  99          HG3       MET  99   2.252 -21.513  -4.786
  756   1HE   MET  99          HE2       MET  99   4.577 -22.706  -4.341
  757   2HE   MET  99          HE3       MET  99   4.664 -22.282  -2.611
  758   3HE   MET  99          HE1       MET  99   4.831 -23.980  -3.117
  759    HA   PRO 100          HA        PRO 100   2.486 -15.412  -1.548
  760   1HB   PRO 100          HB2       PRO 100   1.050 -15.121   0.756
  761   2HB   PRO 100          HB3       PRO 100   0.344 -14.980  -0.880
  762   1HG   PRO 100          HG2       PRO 100   0.311 -17.362   0.971
  763   2HG   PRO 100          HG3       PRO 100  -1.051 -16.641   0.062
  764   1HD   PRO 100          HD2       PRO 100   0.376 -18.832  -0.837
  765   2HD   PRO 100          HD3       PRO 100  -0.308 -17.628  -1.963
  766    H    VAL 101          H         VAL 101   4.639 -15.781  -1.130
  767    HA   VAL 101          HA        VAL 101   5.525 -17.334   1.178
  768    HB   VAL 101          HB        VAL 101   7.139 -15.429  -0.570
  769   1HG1  VAL 101          HG13      VAL 101   8.191 -16.131   1.607
  770   2HG1  VAL 101          HG11      VAL 101   7.957 -17.824   1.144
  771   3HG1  VAL 101          HG12      VAL 101   9.040 -16.782   0.198
  772   1HG2  VAL 101          HG22      VAL 101   6.569 -18.406  -0.917
  773   2HG2  VAL 101          HG23      VAL 101   6.133 -17.098  -2.040
  774   3HG2  VAL 101          HG21      VAL 101   7.830 -17.505  -1.784
  775    H    ILE 102          H         ILE 102   4.466 -16.386   2.872
  776    HA   ILE 102          HA        ILE 102   4.480 -13.561   3.366
  777    HB   ILE 102          HB        ILE 102   3.534 -14.361   5.658
  778   1HG1  ILE 102          HG12      ILE 102   2.808 -16.839   4.060
  779   2HG1  ILE 102          HG13      ILE 102   4.217 -16.865   5.125
  780   1HG2  ILE 102          HG21      ILE 102   2.175 -14.665   2.969
  781   2HG2  ILE 102          HG22      ILE 102   1.306 -14.547   4.516
  782   3HG2  ILE 102          HG23      ILE 102   2.318 -13.208   3.983
  783   1HD1  ILE 102          HD13      ILE 102   2.798 -16.157   7.035
  784   2HD1  ILE 102          HD11      ILE 102   1.370 -16.205   5.980
  785   3HD1  ILE 102          HD12      ILE 102   2.269 -17.695   6.319
  786    H    ASP 103          H         ASP 103   5.603 -15.809   5.923
  787    HA   ASP 103          HA        ASP 103   7.079 -13.624   6.919
  788   1HB   ASP 103          HB2       ASP 103   6.755 -16.475   7.806
  789   2HB   ASP 103          HB3       ASP 103   8.063 -15.529   8.505
  790    HD1  ASP 103          HD        ASP 103   5.850 -13.175   9.977
  791    HA   PRO 104          HA        PRO 104   9.004 -13.415   8.455
  792   1HB   PRO 104          HB2       PRO 104  11.147 -11.766   8.405
  793   2HB   PRO 104          HB3       PRO 104  11.271 -13.512   8.757
  794   1HG   PRO 104          HG2       PRO 104  11.745 -12.141   6.091
  795   2HG   PRO 104          HG3       PRO 104  12.814 -13.303   6.931
  796   1HD   PRO 104          HD2       PRO 104  11.087 -14.122   4.987
  797   2HD   PRO 104          HD3       PRO 104  11.366 -15.119   6.436
  798    H    ILE 105          H         ILE 105   7.275 -12.023   8.382
  799    HA   ILE 105          HA        ILE 105   7.268  -9.722   6.496
  800    HB   ILE 105          HB        ILE 105   5.245 -10.810   8.463
  801   1HG1  ILE 105          HG12      ILE 105   5.279 -12.078   6.412
  802   2HG1  ILE 105          HG13      ILE 105   3.813 -11.113   6.489
  803   1HG2  ILE 105          HG23      ILE 105   5.111  -8.244   6.854
  804   2HG2  ILE 105          HG21      ILE 105   3.691  -9.037   7.562
  805   3HG2  ILE 105          HG22      ILE 105   4.974  -8.434   8.610
  806   1HD1  ILE 105          HD13      ILE 105   4.970  -9.400   4.954
  807   2HD1  ILE 105          HD11      ILE 105   6.250 -10.609   4.737
  808   3HD1  ILE 105          HD12      ILE 105   4.598 -10.982   4.244
  809    H    VAL 106          H         VAL 106   7.571  -7.617   7.181
  810    HA   VAL 106          HA        VAL 106   8.609  -7.315   9.980
  811    HB   VAL 106          HB        VAL 106   8.993  -5.547   7.531
  812   1HG1  VAL 106          HG11      VAL 106  10.063  -5.345  10.391
  813   2HG1  VAL 106          HG12      VAL 106  10.590  -4.336   9.036
  814   3HG1  VAL 106          HG13      VAL 106   8.934  -4.209   9.629
  815   1HG2  VAL 106          HG22      VAL 106  10.899  -7.380   9.046
  816   2HG2  VAL 106          HG23      VAL 106  10.312  -7.617   7.386
  817   3HG2  VAL 106          HG21      VAL 106  11.368  -6.250   7.763
  818    H    ALA 107          H         ALA 107   7.045  -5.029   7.760
  819    HA   ALA 107          HA        ALA 107   4.981  -4.459   9.853
  820   1HB   ALA 107          HB3       ALA 107   5.966  -2.725   7.549
  821   2HB   ALA 107          HB1       ALA 107   4.620  -2.333   8.645
  822   3HB   ALA 107          HB2       ALA 107   6.264  -2.499   9.281
  823    H    GLY 108          H         GLY 108   2.725  -4.060   8.911
  824   1HA   GLY 108          HA2       GLY 108   2.082  -4.540   6.282
  825   2HA   GLY 108          HA3       GLY 108   2.025  -6.146   7.067
  826    H    THR 109          H         THR 109  -0.319  -5.428   6.165
  827    HA   THR 109          HA        THR 109  -1.875  -4.674   8.618
  828    HB   THR 109          HB        THR 109  -3.610  -4.043   6.699
  829    HG1  THR 109          HG1       THR 109  -1.111  -3.861   5.351
  830   1HG2  THR 109          HG22      THR 109  -1.163  -2.409   7.417
  831   2HG2  THR 109          HG23      THR 109  -2.632  -1.746   6.649
  832   3HG2  THR 109          HG21      THR 109  -2.708  -2.448   8.281
  833    H    GLY 110          H         GLY 110  -3.144  -6.173   9.396
  834   1HA   GLY 110          HA2       GLY 110  -3.015  -8.807   8.132
  835   2HA   GLY 110          HA3       GLY 110  -3.673  -8.360   9.698
  836    H    PHE 111          H         PHE 111  -4.295  -7.583   6.258
  837    HA   PHE 111          HA        PHE 111  -6.049  -7.758   4.859
  838   1HB   PHE 111          HB2       PHE 111  -7.328  -9.659   6.825
  839   2HB   PHE 111          HB3       PHE 111  -7.733  -9.445   5.145
  840    HD1  PHE 111          HD2       PHE 111  -5.046 -10.770   7.425
  841    HD2  PHE 111          HD1       PHE 111  -6.608 -10.743   3.421
  842    HE1  PHE 111          HE2       PHE 111  -3.021 -11.950   6.622
  843    HE2  PHE 111          HE1       PHE 111  -4.594 -11.923   2.623
  844    HZ   PHE 111          HZ        PHE 111  -2.749 -12.457   4.195
  845    H    SER 112          H         SER 112  -6.744  -5.698   4.771
  846    HA   SER 112          HA        SER 112  -7.913  -4.264   6.879
  847   1HB   SER 112          HB2       SER 112  -8.237  -2.679   4.718
  848   2HB   SER 112          HB3       SER 112  -6.655  -3.042   5.441
  849    HG   SER 112          HG        SER 112  -6.550  -3.366   3.227
  850    HA   PRO 113          HA        PRO 113 -12.326  -4.584   6.315
  851   1HB   PRO 113          HB2       PRO 113 -13.208  -2.013   6.679
  852   2HB   PRO 113          HB3       PRO 113 -12.505  -2.966   8.019
  853   1HG   PRO 113          HG2       PRO 113 -11.050  -0.994   6.216
  854   2HG   PRO 113          HG3       PRO 113 -11.109  -0.978   7.997
  855   1HD   PRO 113          HD2       PRO 113  -9.038  -2.138   6.761
  856   2HD   PRO 113          HD3       PRO 113  -9.811  -3.013   8.106
  857    H    VAL 114          H         VAL 114 -13.988  -4.108   4.683
  858    HA   VAL 114          HA        VAL 114 -13.056  -2.594   2.301
  859    HB   VAL 114          HB        VAL 114 -14.024  -5.420   1.921
  860   1HG1  VAL 114          HG13      VAL 114 -13.703  -3.796   0.014
  861   2HG1  VAL 114          HG11      VAL 114 -11.991  -3.656   0.484
  862   3HG1  VAL 114          HG12      VAL 114 -12.619  -5.201  -0.095
  863   1HG2  VAL 114          HG21      VAL 114 -12.258  -5.801   3.528
  864   2HG2  VAL 114          HG22      VAL 114 -11.861  -6.309   1.913
  865   3HG2  VAL 114          HG23      VAL 114 -11.140  -4.813   2.534
  866    HA   PRO 115          HA        PRO 115 -17.570  -1.887   2.945
  867   1HB   PRO 115          HB2       PRO 115 -16.679   0.607   1.507
  868   2HB   PRO 115          HB3       PRO 115 -17.877   0.442   2.821
  869   1HG   PRO 115          HG2       PRO 115 -15.378   1.352   3.384
  870   2HG   PRO 115          HG3       PRO 115 -16.128   0.123   4.446
  871   1HD   PRO 115          HD2       PRO 115 -14.136  -0.350   2.200
  872   2HD   PRO 115          HD3       PRO 115 -14.117  -0.981   3.872
  873    H    LYS 116          H         LYS 116 -19.252  -1.400   1.256
  874    HA   LYS 116          HA        LYS 116 -18.480  -2.707  -1.291
  875   1HB   LYS 116          HB2       LYS 116 -21.166  -2.375   0.094
  876   2HB   LYS 116          HB3       LYS 116 -20.916  -3.266  -1.408
  877   1HG   LYS 116          HG2       LYS 116 -19.606  -4.017   1.252
  878   2HG   LYS 116          HG3       LYS 116 -21.104  -4.704   0.618
  879   1HD   LYS 116          HD2       LYS 116 -19.890  -5.475  -1.421
  880   2HD   LYS 116          HD3       LYS 116 -18.372  -4.871  -0.724
  881   1HE   LYS 116          HE2       LYS 116 -18.528  -6.413   1.145
  882   2HE   LYS 116          HE3       LYS 116 -20.134  -6.957   0.622
  883   1HZ   LYS 116          HZ1       LYS 116 -17.652  -7.317  -0.910
  884   2HZ   LYS 116          HZ2       LYS 116 -18.431  -8.473  -0.036
  885   3HZ   LYS 116          HZ3       LYS 116 -19.153  -7.817  -1.362
  886    H    ASP 117          H         ASP 117 -18.664   0.303  -0.441
  887    HA   ASP 117          HA        ASP 117 -18.301   1.754  -2.500
  888   1HB   ASP 117          HB2       ASP 117 -20.260   2.567  -3.646
  889   2HB   ASP 117          HB3       ASP 117 -20.203   0.853  -3.901
  890    HD2  ASP 117          HD        ASP 117 -21.735  -0.368  -2.709
  891    H    GLY 118          H         GLY 118 -19.100   4.065  -2.398
  892   1HA   GLY 118          HA2       GLY 118 -19.660   5.982  -1.334
  893   2HA   GLY 118          HA3       GLY 118 -20.637   5.096  -0.165
  894    H    LYS 119          H         LYS 119 -19.183   3.612   1.298
  895    HA   LYS 119          HA        LYS 119 -17.364   5.398   2.735
  896   1HB   LYS 119          HB2       LYS 119 -18.359   2.590   3.319
  897   2HB   LYS 119          HB3       LYS 119 -17.251   3.506   4.360
  898   1HG   LYS 119          HG2       LYS 119 -18.955   5.283   4.620
  899   2HG   LYS 119          HG3       LYS 119 -20.083   4.359   3.603
  900   1HD   LYS 119          HD2       LYS 119 -20.007   2.480   5.227
  901   2HD   LYS 119          HD3       LYS 119 -18.865   3.393   6.237
  902   1HE   LYS 119          HE2       LYS 119 -20.563   5.176   6.560
  903   2HE   LYS 119          HE3       LYS 119 -21.708   4.280   5.541
  904   1HZ   LYS 119          HZ1       LYS 119 -20.566   3.326   8.074
  905   2HZ   LYS 119          HZ2       LYS 119 -22.092   3.908   7.857
  906   3HZ   LYS 119          HZ3       LYS 119 -21.637   2.502   7.129
  907    H    PHE 120          H         PHE 120 -15.194   4.713   3.232
  908    HA   PHE 120          HA        PHE 120 -13.901   2.913   1.234
  909   1HB   PHE 120          HB2       PHE 120 -13.628   5.837   1.706
  910   2HB   PHE 120          HB3       PHE 120 -12.140   5.009   1.377
  911    HD1  PHE 120          HD2       PHE 120 -12.001   3.536  -0.773
  912    HD2  PHE 120          HD1       PHE 120 -15.494   5.827   0.060
  913    HE1  PHE 120          HE2       PHE 120 -12.644   3.397  -3.166
  914    HE2  PHE 120          HE1       PHE 120 -16.247   5.560  -2.279
  915    HZ   PHE 120          HZ        PHE 120 -14.752   4.478  -3.942
  916    H    GLY 121          H         GLY 121 -12.864   1.427   2.355
  917   1HA   GLY 121          HA2       GLY 121 -12.226   1.632   5.167
  918   2HA   GLY 121          HA3       GLY 121 -11.813   0.308   4.071
  919    H    TYR 122          H         TYR 122 -10.485   2.720   5.970
  920    HA   TYR 122          HA        TYR 122  -7.971   2.686   4.414
  921   1HB   TYR 122          HB2       TYR 122  -7.450   4.937   4.908
  922   2HB   TYR 122          HB3       TYR 122  -9.062   4.936   4.237
  923    HD1  TYR 122          HD2       TYR 122  -6.915   5.421   7.229
  924    HD2  TYR 122          HD1       TYR 122 -10.898   5.753   5.642
  925    HE1  TYR 122          HE2       TYR 122  -7.567   6.824   9.167
  926    HE2  TYR 122          HE1       TYR 122 -11.522   7.232   7.561
  927    HH   TYR 122          HH        TYR 122 -10.851   8.164   9.535
  928    H    THR 123          H         THR 123  -6.076   3.156   5.692
  929    HA   THR 123          HA        THR 123  -6.123   2.693   8.558
  930    HB   THR 123          HB        THR 123  -5.101   0.630   6.547
  931    HG1  THR 123          HG1       THR 123  -7.321   0.833   7.983
  932   1HG2  THR 123          HG22      THR 123  -3.424   0.914   8.336
  933   2HG2  THR 123          HG23      THR 123  -4.684   0.587   9.538
  934   3HG2  THR 123          HG21      THR 123  -4.216  -0.659   8.389
  935    H    ASP 124          H         ASP 124  -4.583   4.126   9.186
  936    HA   ASP 124          HA        ASP 124  -2.363   4.910   7.329
  937   1HB   ASP 124          HB2       ASP 124  -3.398   6.154   9.918
  938   2HB   ASP 124          HB3       ASP 124  -2.000   6.712   9.001
  939    HD2  ASP 124          HD        ASP 124  -5.589   7.859   7.875
  940    H    PHE 125          H         PHE 125  -1.441   2.630   7.732
  941    HA   PHE 125          HA        PHE 125  -0.720   2.169  10.530
  942   1HB   PHE 125          HB2       PHE 125   0.373   0.218  10.024
  943   2HB   PHE 125          HB3       PHE 125  -1.252   0.255   9.382
  944    HD1  PHE 125          HD1       PHE 125  -1.477   0.680   6.761
  945    HD2  PHE 125          HD2       PHE 125   2.164  -0.533   8.748
  946    HE1  PHE 125          HE1       PHE 125  -0.865  -0.707   4.812
  947    HE2  PHE 125          HE2       PHE 125   2.742  -1.951   6.809
  948    HZ   PHE 125          HZ        PHE 125   1.188  -2.130   4.900
  949    H    THR 126          H         THR 126   0.815   3.158  11.429
  950    HA   THR 126          HA        THR 126   2.687   4.882   9.939
  951    HB   THR 126          HB        THR 126   1.902   4.757  12.874
  952    HG1  THR 126          HG1       THR 126   0.219   5.279  11.240
  953   1HG2  THR 126          HG22      THR 126   3.297   6.919  11.245
  954   2HG2  THR 126          HG23      THR 126   2.751   7.083  12.925
  955   3HG2  THR 126          HG21      THR 126   4.051   5.944  12.530
  956    H    TRP 127          H         TRP 127   4.234   3.399   9.198
  957    HA   TRP 127          HA        TRP 127   5.588   1.641  11.157
  958   1HB   TRP 127          HB2       TRP 127   4.834   0.618   9.106
  959   2HB   TRP 127          HB3       TRP 127   5.593   1.876   8.138
  960    HD1  TRP 127          HD1       TRP 127   7.308  -0.228  10.887
  961    HE1  TRP 127          HE1       TRP 127   9.319  -1.420   9.886
  962    HE3  TRP 127          HE3       TRP 127   6.674   1.103   6.016
  963    HZ2  TRP 127          HZ2       TRP 127  10.532  -1.727   7.257
  964    HZ3  TRP 127          HZ3       TRP 127   8.269   0.329   4.270
  965    HH2  TRP 127          HH2       TRP 127  10.162  -1.071   4.845
  966    H    HIS 128          H         HIS 128   7.756   1.761  11.624
  967    HA   HIS 128          HA        HIS 128   9.322   4.100  10.631
  968   1HB   HIS 128          HB2       HIS 128   9.394   2.673  13.299
  969   2HB   HIS 128          HB3       HIS 128  10.667   3.747  12.707
  970    HD1  HIS 128          HD1       HIS 128   7.100   3.923  14.060
  971    HD2  HIS 128          HD2       HIS 128   9.949   6.348  12.117
  972    HE1  HIS 128          HE1       HIS 128   6.195   6.322  14.131
  973    HE2  HIS 128          HE2       HIS 128   7.930   7.781  12.915
  974    HA   PRO 129          HA        PRO 129  11.019   0.359   8.741
  975   1HB   PRO 129          HB2       PRO 129  12.199   1.407   6.600
  976   2HB   PRO 129          HB3       PRO 129  10.435   1.581   6.812
  977   1HG   PRO 129          HG2       PRO 129  12.544   3.626   7.569
  978   2HG   PRO 129          HG3       PRO 129  11.112   3.874   6.527
  979   1HD   PRO 129          HD2       PRO 129  11.123   4.381   9.230
  980   2HD   PRO 129          HD3       PRO 129   9.647   3.777   8.399
  981    H    THR 130          H         THR 130  13.370  -0.183   7.786
  982    HA   THR 130          HA        THR 130  15.553   1.184   9.229
  983    HB   THR 130          HB        THR 130  16.713  -0.982   9.476
  984    HG1  THR 130          HG1       THR 130  15.595  -2.877   9.250
  985   1HG2  THR 130          HG21      THR 130  15.451   0.005  11.385
  986   2HG2  THR 130          HG22      THR 130  14.019  -0.929  10.908
  987   3HG2  THR 130          HG23      THR 130  15.486  -1.768  11.450
  988    H    ALA 131          H         ALA 131  17.631   0.906   7.936
  989    HA   ALA 131          HA        ALA 131  16.911   1.704   5.344
  990   1HB   ALA 131          HB2       ALA 131  18.865   2.607   6.520
  991   2HB   ALA 131          HB3       ALA 131  19.705   1.050   6.318
  992   3HB   ALA 131          HB1       ALA 131  19.272   2.032   4.896
  993    H    GLY 132          H         GLY 132  17.576   0.938   3.300
  994   1HA   GLY 132          HA2       GLY 132  18.706  -0.670   1.919
  995   2HA   GLY 132          HA3       GLY 132  18.169  -1.981   2.987
  996    H    THR 133          H         THR 133  17.611  -2.628   0.640
  997    HA   THR 133          HA        THR 133  15.307  -1.408  -0.572
  998    HB   THR 133          HB        THR 133  16.635  -4.042  -1.296
  999    HG1  THR 133          HG1       THR 133  18.005  -2.696  -2.556
 1000   1HG2  THR 133          HG23      THR 133  14.523  -3.404  -2.502
 1001   2HG2  THR 133          HG21      THR 133  15.274  -1.865  -2.960
 1002   3HG2  THR 133          HG22      THR 133  15.936  -3.394  -3.572
 1003    H    TYR 134          H         TYR 134  13.646  -1.586   0.945
 1004    HA   TYR 134          HA        TYR 134  12.654  -4.248   1.773
 1005   1HB   TYR 134          HB2       TYR 134  12.008  -1.383   2.367
 1006   2HB   TYR 134          HB3       TYR 134  10.671  -2.524   2.421
 1007    HD1  TYR 134          HD2       TYR 134  14.062  -1.772   3.853
 1008    HD2  TYR 134          HD1       TYR 134  10.317  -3.861   4.262
 1009    HE1  TYR 134          HE2       TYR 134  14.581  -2.267   6.222
 1010    HE2  TYR 134          HE1       TYR 134  10.732  -4.147   6.644
 1011    HH   TYR 134          HH        TYR 134  13.652  -2.875   8.244
 1012    H    TYR 135          H         TYR 135  10.167  -4.503   1.302
 1013    HA   TYR 135          HA        TYR 135   9.353  -3.574  -1.336
 1014   1HB   TYR 135          HB2       TYR 135   9.727  -6.510  -0.639
 1015   2HB   TYR 135          HB3       TYR 135   8.815  -5.922  -2.023
 1016    HD1  TYR 135          HD2       TYR 135  12.222  -6.244  -0.590
 1017    HD2  TYR 135          HD1       TYR 135   9.898  -5.209  -4.056
 1018    HE1  TYR 135          HE2       TYR 135  14.260  -6.357  -1.960
 1019    HE2  TYR 135          HE1       TYR 135  11.947  -5.367  -5.453
 1020    HH   TYR 135          HH        TYR 135  15.132  -6.195  -4.093
 1021    H    TYR 136          H         TYR 136   7.097  -3.844  -1.666
 1022    HA   TYR 136          HA        TYR 136   5.516  -4.728   0.705
 1023   1HB   TYR 136          HB2       TYR 136   3.740  -3.273   0.032
 1024   2HB   TYR 136          HB3       TYR 136   5.181  -2.363   0.455
 1025    HD1  TYR 136          HD2       TYR 136   6.504  -1.208  -1.314
 1026    HD2  TYR 136          HD1       TYR 136   2.758  -3.134  -2.207
 1027    HE1  TYR 136          HE2       TYR 136   6.207   0.280  -3.265
 1028    HE2  TYR 136          HE1       TYR 136   2.506  -1.663  -4.220
 1029    HH   TYR 136          HH        TYR 136   4.924   0.746  -5.126
 1030    H    VAL 137          H         VAL 137   3.767  -6.075   0.263
 1031    HA   VAL 137          HA        VAL 137   3.118  -6.812  -2.486
 1032    HB   VAL 137          HB        VAL 137   3.398  -9.238  -1.982
 1033   1HG1  VAL 137          HG12      VAL 137   5.084  -8.070  -3.356
 1034   2HG1  VAL 137          HG13      VAL 137   6.074  -7.801  -1.897
 1035   3HG1  VAL 137          HG11      VAL 137   5.709  -9.446  -2.444
 1036   1HG2  VAL 137          HG22      VAL 137   3.544  -9.148   0.474
 1037   2HG2  VAL 137          HG23      VAL 137   4.966  -9.940  -0.219
 1038   3HG2  VAL 137          HG21      VAL 137   5.088  -8.276   0.379
 1039    H    CYS 138          H         CYS 138   1.031  -7.753  -2.629
 1040    HA   CYS 138          HA        CYS 138  -0.595  -7.919  -0.120
 1041   1HB   CYS 138          HB2       CYS 138  -1.689  -6.806  -1.961
 1042   2HB   CYS 138          HB3       CYS 138  -1.214  -8.112  -3.050
 1043    H    GLN 139          H         GLN 139  -0.174  -9.815   0.934
 1044    HA   GLN 139          HA        GLN 139   0.692 -12.215  -0.400
 1045   1HB   GLN 139          HB2       GLN 139  -0.099 -11.567   2.454
 1046   2HB   GLN 139          HB3       GLN 139   0.587 -13.112   1.993
 1047   1HG   GLN 139          HG2       GLN 139   1.990 -10.475   1.386
 1048   2HG   GLN 139          HG3       GLN 139   2.205 -11.343   2.900
 1049   1HE2  GLN 139          HE22      GLN 139   5.059 -12.609   1.151
 1050   2HE2  GLN 139          HE21      GLN 139   4.549 -11.152   1.987
 1051    H    ILE 140          H         ILE 140  -1.869 -11.587  -1.481
 1052    HA   ILE 140          HA        ILE 140  -3.514 -13.889  -0.506
 1053    HB   ILE 140          HB        ILE 140  -4.200 -11.572  -2.305
 1054   1HG1  ILE 140          HG12      ILE 140  -5.231 -12.639   0.367
 1055   2HG1  ILE 140          HG13      ILE 140  -4.352 -11.133   0.082
 1056   1HG2  ILE 140          HG21      ILE 140  -5.148 -13.701  -3.273
 1057   2HG2  ILE 140          HG22      ILE 140  -5.946 -13.998  -1.709
 1058   3HG2  ILE 140          HG23      ILE 140  -6.384 -12.600  -2.697
 1059   1HD1  ILE 140          HD11      ILE 140  -6.344 -10.411  -1.365
 1060   2HD1  ILE 140          HD12      ILE 140  -7.207 -11.823  -0.716
 1061   3HD1  ILE 140          HD13      ILE 140  -6.647 -10.563   0.386
 1062    HA   PRO 141          HA        PRO 141  -1.355 -16.323  -3.433
 1063   1HB   PRO 141          HB2       PRO 141  -4.104 -17.369  -4.181
 1064   2HB   PRO 141          HB3       PRO 141  -2.585 -18.301  -4.007
 1065   1HG   PRO 141          HG2       PRO 141  -4.365 -18.228  -1.959
 1066   2HG   PRO 141          HG3       PRO 141  -2.626 -18.022  -1.614
 1067   1HD   PRO 141          HD2       PRO 141  -4.766 -15.919  -1.780
 1068   2HD   PRO 141          HD3       PRO 141  -3.388 -16.055  -0.649
 1069    H    GLY 142          H         GLY 142  -0.564 -15.915  -5.420
 1070   1HA   GLY 142          HA2       GLY 142  -0.454 -15.274  -7.634
 1071   2HA   GLY 142          HA3       GLY 142  -2.208 -15.130  -7.675
 1072    H    HIS 143          H         HIS 143  -1.983 -13.096  -5.261
 1073    HA   HIS 143          HA        HIS 143  -2.221 -10.857  -7.028
 1074   1HB   HIS 143          HB2       HIS 143  -2.095 -11.051  -4.011
 1075   2HB   HIS 143          HB3       HIS 143  -2.306  -9.554  -4.892
 1076    HD2  HIS 143          HD2       HIS 143  -4.184 -12.622  -6.306
 1077    HE1  HIS 143          HE1       HIS 143  -7.081 -10.226  -4.346
 1078    HE2  HIS 143          HE2       HIS 143  -6.707 -12.243  -5.851
 1079    H    ALA 144          H         ALA 144   0.312 -11.561  -4.564
 1080    HA   ALA 144          HA        ALA 144   2.049  -9.442  -5.244
 1081   1HB   ALA 144          HB2       ALA 144   2.310 -10.920  -3.258
 1082   2HB   ALA 144          HB3       ALA 144   2.897 -12.217  -4.326
 1083   3HB   ALA 144          HB1       ALA 144   3.804 -10.694  -4.193
 1084    H    ALA 145          H         ALA 145   1.774 -12.740  -6.638
 1085    HA   ALA 145          HA        ALA 145   4.010 -12.578  -8.377
 1086   1HB   ALA 145          HB2       ALA 145   2.887 -14.695  -7.783
 1087   2HB   ALA 145          HB3       ALA 145   1.463 -14.214  -8.728
 1088   3HB   ALA 145          HB1       ALA 145   3.020 -14.487  -9.532
 1089    H    THR 146          H         THR 146   0.580 -11.674  -8.911
 1090    HA   THR 146          HA        THR 146   1.054 -11.102 -11.720
 1091    HB   THR 146          HB        THR 146  -1.301 -10.193 -11.610
 1092    HG1  THR 146          HG1       THR 146  -1.291 -11.366  -9.035
 1093   1HG2  THR 146          HG23      THR 146  -0.793 -13.047 -10.651
 1094   2HG2  THR 146          HG21      THR 146  -2.323 -12.437 -11.314
 1095   3HG2  THR 146          HG22      THR 146  -0.870 -12.484 -12.329
 1096    H    GLY 147          H         GLY 147   0.123  -8.896  -8.971
 1097   1HA   GLY 147          HA2       GLY 147   1.913  -6.820  -9.903
 1098   2HA   GLY 147          HA3       GLY 147   0.321  -6.590 -10.630
 1099    H    MET 148          H         MET 148   0.697  -7.882  -7.316
 1100    HA   MET 148          HA        MET 148  -0.186  -5.200  -6.258
 1101   1HB   MET 148          HB2       MET 148  -0.548  -7.962  -5.082
 1102   2HB   MET 148          HB3       MET 148  -1.115  -6.401  -4.430
 1103   1HG   MET 148          HG2       MET 148  -2.203  -6.316  -6.883
 1104   2HG   MET 148          HG3       MET 148  -2.201  -8.057  -6.676
 1105   1HE   MET 148          HE3       MET 148  -3.644  -4.638  -5.854
 1106   2HE   MET 148          HE1       MET 148  -4.696  -4.896  -4.437
 1107   3HE   MET 148          HE2       MET 148  -2.931  -5.002  -4.259
 1108    H    PHE 149          H         PHE 149   2.311  -4.796  -6.644
 1109    HA   PHE 149          HA        PHE 149   3.572  -5.190  -4.065
 1110   1HB   PHE 149          HB2       PHE 149   5.479  -6.449  -4.903
 1111   2HB   PHE 149          HB3       PHE 149   4.021  -7.325  -5.275
 1112    HD1  PHE 149          HD1       PHE 149   6.806  -5.353  -6.770
 1113    HD2  PHE 149          HD2       PHE 149   3.232  -7.628  -7.573
 1114    HE1  PHE 149          HE1       PHE 149   7.534  -5.680  -9.108
 1115    HE2  PHE 149          HE2       PHE 149   4.028  -8.058  -9.877
 1116    HZ   PHE 149          HZ        PHE 149   6.160  -7.051 -10.665
 1117    H    GLY 150          H         GLY 150   6.036  -4.371  -4.263
 1118   1HA   GLY 150          HA2       GLY 150   7.043  -2.729  -6.300
 1119   2HA   GLY 150          HA3       GLY 150   6.082  -1.665  -5.290
 1120    H    LYS 151          H         LYS 151   8.768  -1.238  -5.457
 1121    HA   LYS 151          HA        LYS 151  10.114  -2.672  -3.234
 1122   1HB   LYS 151          HB2       LYS 151  11.614  -0.826  -5.023
 1123   2HB   LYS 151          HB3       LYS 151  12.101  -2.310  -4.226
 1124   1HG   LYS 151          HG2       LYS 151  10.567  -3.534  -5.889
 1125   2HG   LYS 151          HG3       LYS 151  10.436  -2.011  -6.769
 1126   1HD   LYS 151          HD2       LYS 151  13.066  -3.428  -6.125
 1127   2HD   LYS 151          HD3       LYS 151  12.204  -3.566  -7.659
 1128   1HE   LYS 151          HE2       LYS 151  13.360  -0.977  -6.508
 1129   2HE   LYS 151          HE3       LYS 151  14.095  -1.984  -7.757
 1130   1HZ   LYS 151          HZ2       LYS 151  12.159  -1.589  -9.126
 1131   2HZ   LYS 151          HZ3       LYS 151  11.535  -0.557  -7.999
 1132   3HZ   LYS 151          HZ1       LYS 151  12.953  -0.199  -8.744
 1133    H    ILE 152          H         ILE 152  11.177  -1.479  -1.601
 1134    HA   ILE 152          HA        ILE 152  10.441   1.391  -1.248
 1135    HB   ILE 152          HB        ILE 152  10.579  -0.737   0.901
 1136   1HG1  ILE 152          HG12      ILE 152   8.127   0.360  -0.460
 1137   2HG1  ILE 152          HG13      ILE 152   8.675  -1.332  -0.316
 1138   1HG2  ILE 152          HG23      ILE 152  11.075   1.747   1.424
 1139   2HG2  ILE 152          HG21      ILE 152   9.366   2.023   1.047
 1140   3HG2  ILE 152          HG22      ILE 152   9.837   0.959   2.404
 1141   1HD1  ILE 152          HD13      ILE 152   8.399  -1.159   2.169
 1142   2HD1  ILE 152          HD11      ILE 152   7.608   0.420   1.916
 1143   3HD1  ILE 152          HD12      ILE 152   6.894  -1.046   1.241
 1144    H    VAL 153          H         VAL 153  12.495   2.156  -1.908
 1145    HA   VAL 153          HA        VAL 153  14.949   0.945  -0.789
 1146    HB   VAL 153          HB        VAL 153  14.591   3.462  -2.433
 1147   1HG1  VAL 153          HG11      VAL 153  17.024   1.741  -1.708
 1148   2HG1  VAL 153          HG12      VAL 153  17.049   3.063  -2.897
 1149   3HG1  VAL 153          HG13      VAL 153  16.720   3.412  -1.196
 1150   1HG2  VAL 153          HG21      VAL 153  15.289   0.613  -3.288
 1151   2HG2  VAL 153          HG22      VAL 153  13.821   1.507  -3.740
 1152   3HG2  VAL 153          HG23      VAL 153  15.396   2.041  -4.339
 1153    H    VAL 154          H         VAL 154  14.808   1.228   1.434
 1154    HA   VAL 154          HA        VAL 154  14.252   3.929   2.533
 1155    HB   VAL 154          HB        VAL 154  15.007   1.357   3.951
 1156   1HG1  VAL 154          HG13      VAL 154  15.412   3.486   5.228
 1157   2HG1  VAL 154          HG11      VAL 154  13.733   3.969   4.921
 1158   3HG1  VAL 154          HG12      VAL 154  14.087   2.553   5.925
 1159   1HG2  VAL 154          HG21      VAL 154  12.267   2.573   3.418
 1160   2HG2  VAL 154          HG22      VAL 154  12.889   1.043   2.748
 1161   3HG2  VAL 154          HG23      VAL 154  12.604   1.178   4.471
 1162    H    LYS 155          H         LYS 155  15.967   5.182   1.750
 1163    HA   LYS 155          HA        LYS 155  18.519   4.754   3.139
 1164   1HB   LYS 155          HB2       LYS 155  18.534   4.970   0.101
 1165   2HB   LYS 155          HB3       LYS 155  19.932   4.952   1.200
 1166   1HG   LYS 155          HG2       LYS 155  19.389   2.645   1.884
 1167   2HG   LYS 155          HG3       LYS 155  18.034   2.621   0.734
 1168   1HD   LYS 155          HD2       LYS 155  19.597   3.052  -1.138
 1169   2HD   LYS 155          HD3       LYS 155  20.960   3.048   0.000
 1170   1HE   LYS 155          HE2       LYS 155  20.446   0.704   0.627
 1171   2HE   LYS 155          HE3       LYS 155  19.056   0.701  -0.478
 1172   1HZ   LYS 155          HZ1       LYS 155  20.570   1.067  -2.283
 1173   2HZ   LYS 155          HZ2       LYS 155  21.861   1.055  -1.258
 1174   3HZ   LYS 155          HZ3       LYS 155  20.958  -0.308  -1.462
   
  No H/Q in entry =        1174
  Start of MODEL    8
    1    H    GLY   1          H         GLY   1  -2.689  -6.398  14.845
    2   1HA   GLY   1          HA2       GLY   1  -2.011  -6.220  17.390
    3   2HA   GLY   1          HA3       GLY   1  -2.968  -7.715  17.491
    4    H    THR   2          H         THR   2  -2.413  -9.026  15.188
    5    HA   THR   2          HA        THR   2   0.257 -10.124  15.452
    6    HB   THR   2          HB        THR   2  -0.709 -11.103  13.151
    7    HG1  THR   2          HG1       THR   2  -3.014 -10.909  13.150
    8   1HG2  THR   2          HG23      THR   2  -2.130 -11.621  15.815
    9   2HG2  THR   2          HG21      THR   2  -2.135 -12.710  14.412
   10   3HG2  THR   2          HG22      THR   2  -0.623 -12.398  15.282
   11    H    LEU   3          H         LEU   3  -1.528  -8.625  12.878
   12    HA   LEU   3          HA        LEU   3   0.786  -6.991  11.881
   13   1HB   LEU   3          HB2       LEU   3  -1.398  -8.537  10.526
   14   2HB   LEU   3          HB3       LEU   3  -1.011  -7.009   9.800
   15    HG   LEU   3          HG        LEU   3   1.233  -7.650   9.320
   16   1HD1  LEU   3          HD12      LEU   3   0.871 -10.086  11.107
   17   2HD1  LEU   3          HD13      LEU   3   2.216  -9.852   9.971
   18   3HD1  LEU   3          HD11      LEU   3   2.025  -8.741  11.317
   19   1HD2  LEU   3          HD22      LEU   3  -0.532  -8.682   7.882
   20   2HD2  LEU   3          HD23      LEU   3   0.939  -9.666   7.953
   21   3HD2  LEU   3          HD21      LEU   3  -0.490 -10.136   8.894
   22    H    ASP   4          H         ASP   4  -0.244  -4.977  10.733
   23    HA   ASP   4          HA        ASP   4  -1.396  -3.545  12.956
   24   1HB   ASP   4          HB2       ASP   4   0.277  -2.586  11.355
   25   2HB   ASP   4          HB3       ASP   4  -0.999  -2.529  10.124
   26    HD1  ASP   4          HD        ASP   4  -2.809  -0.182  12.197
   27    H    THR   5          H         THR   5  -3.521  -3.606  13.463
   28    HA   THR   5          HA        THR   5  -5.555  -4.136  11.385
   29    HB   THR   5          HB        THR   5  -6.769  -4.834  13.572
   30    HG1  THR   5          HG1       THR   5  -5.003  -5.355  15.171
   31   1HG2  THR   5          HG22      THR   5  -4.228  -6.333  12.735
   32   2HG2  THR   5          HG23      THR   5  -5.560  -7.003  13.678
   33   3HG2  THR   5          HG21      THR   5  -5.828  -6.497  12.002
   34    H    THR   6          H         THR   6  -4.413  -1.373  11.862
   35    HA   THR   6          HA        THR   6  -6.438   0.019  13.421
   36    HB   THR   6          HB        THR   6  -4.321   1.280  11.590
   37    HG1  THR   6          HG1       THR   6  -4.192   0.446  14.299
   38   1HG2  THR   6          HG22      THR   6  -5.803   2.213  14.100
   39   2HG2  THR   6          HG23      THR   6  -4.544   3.115  13.223
   40   3HG2  THR   6          HG21      THR   6  -6.113   2.797  12.457
   41    H    TRP   7          H         TRP   7  -8.090  -1.150  12.105
   42    HA   TRP   7          HA        TRP   7  -8.633  -0.359   9.362
   43   1HB   TRP   7          HB2       TRP   7 -10.347  -1.746  11.486
   44   2HB   TRP   7          HB3       TRP   7 -10.695  -1.718   9.768
   45    HD1  TRP   7          HD1       TRP   7 -10.737  -4.376  11.116
   46    HE1  TRP   7          HE1       TRP   7  -9.188  -6.270  10.410
   47    HE3  TRP   7          HE3       TRP   7  -6.812  -1.614   9.306
   48    HZ2  TRP   7          HZ2       TRP   7  -6.583  -6.551   9.055
   49    HZ3  TRP   7          HZ3       TRP   7  -5.037  -2.730   8.004
   50    HH2  TRP   7          HH2       TRP   7  -4.918  -5.181   7.926
   51    H    LYS   8          H         LYS   8  -9.761   1.473   8.704
   52    HA   LYS   8          HA        LYS   8 -11.964   2.483  10.367
   53   1HB   LYS   8          HB2       LYS   8  -9.680   4.228   9.331
   54   2HB   LYS   8          HB3       LYS   8 -11.156   4.816  10.111
   55   1HG   LYS   8          HG2       LYS   8 -10.467   3.587  12.214
   56   2HG   LYS   8          HG3       LYS   8  -8.972   3.117  11.391
   57   1HD   LYS   8          HD2       LYS   8  -8.374   4.974  12.695
   58   2HD   LYS   8          HD3       LYS   8  -8.447   5.549  11.025
   59   1HE   LYS   8          HE2       LYS   8 -10.792   6.446  11.547
   60   2HE   LYS   8          HE3       LYS   8 -10.520   5.972  13.232
   61   1HZ   LYS   8          HZ3       LYS   8  -8.598   7.440  13.209
   62   2HZ   LYS   8          HZ1       LYS   8  -8.941   7.872  11.650
   63   3HZ   LYS   8          HZ2       LYS   8  -9.991   8.250  12.862
   64    H    GLU   9          H         GLU   9 -12.930   4.499   8.864
   65    HA   GLU   9          HA        GLU   9 -12.495   3.900   6.068
   66   1HB   GLU   9          HB2       GLU   9 -15.395   4.153   6.744
   67   2HB   GLU   9          HB3       GLU   9 -14.605   3.430   5.353
   68   1HG   GLU   9          HG2       GLU   9 -15.633   1.653   6.555
   69   2HG   GLU   9          HG3       GLU   9 -13.921   1.488   6.970
   70    HE2  GLU   9          HE        GLU   9 -14.785   1.699  10.319
   71    H    ALA  10          H         ALA  10 -13.242   5.449   4.683
   72    HA   ALA  10          HA        ALA  10 -14.053   8.118   5.713
   73   1HB   ALA  10          HB1       ALA  10 -11.592   7.981   5.039
   74   2HB   ALA  10          HB2       ALA  10 -12.129   7.543   3.398
   75   3HB   ALA  10          HB3       ALA  10 -12.553   9.127   4.121
   76    H    THR  11          H         THR  11 -14.253   8.968   2.797
   77    HA   THR  11          HA        THR  11 -16.135   7.011   1.674
   78    HB   THR  11          HB        THR  11 -17.814   8.704   1.236
   79    HG1  THR  11          HG1       THR  11 -17.535  10.786   2.253
   80   1HG2  THR  11          HG22      THR  11 -18.000   7.477   3.392
   81   2HG2  THR  11          HG23      THR  11 -17.149   8.810   4.205
   82   3HG2  THR  11          HG21      THR  11 -18.722   9.091   3.443
   83    H    LEU  12          H         LEU  12 -16.717   7.666  -0.606
   84    HA   LEU  12          HA        LEU  12 -14.659   7.553  -2.237
   85   1HB   LEU  12          HB2       LEU  12 -16.983   7.365  -2.876
   86   2HB   LEU  12          HB3       LEU  12 -17.183   9.104  -2.890
   87    HG   LEU  12          HG        LEU  12 -14.948   7.984  -4.574
   88   1HD1  LEU  12          HD12      LEU  12 -17.890   7.683  -5.316
   89   2HD1  LEU  12          HD13      LEU  12 -16.511   7.395  -6.399
   90   3HD1  LEU  12          HD11      LEU  12 -16.751   6.359  -4.986
   91   1HD2  LEU  12          HD23      LEU  12 -17.085  10.118  -5.047
   92   2HD2  LEU  12          HD21      LEU  12 -15.384  10.417  -4.633
   93   3HD2  LEU  12          HD22      LEU  12 -15.799   9.687  -6.186
   94    HA   PRO  13          HA        PRO  13 -13.855  12.159  -3.207
   95   1HB   PRO  13          HB2       PRO  13 -14.531  14.083  -1.318
   96   2HB   PRO  13          HB3       PRO  13 -15.547  13.629  -2.717
   97   1HG   PRO  13          HG2       PRO  13 -15.735  12.573   0.120
   98   2HG   PRO  13          HG3       PRO  13 -17.059  13.207  -0.902
   99   1HD   PRO  13          HD2       PRO  13 -16.674  10.574  -0.718
  100   2HD   PRO  13          HD3       PRO  13 -16.974  11.293  -2.323
  101    H    GLN  14          H         GLN  14 -13.755  10.878   0.112
  102    HA   GLN  14          HA        GLN  14 -11.415  12.364   0.894
  103   1HB   GLN  14          HB2       GLN  14 -12.410   9.776   2.052
  104   2HB   GLN  14          HB3       GLN  14 -11.343  10.964   2.809
  105   1HG   GLN  14          HG2       GLN  14 -14.295  11.320   2.147
  106   2HG   GLN  14          HG3       GLN  14 -13.550  11.304   3.748
  107   1HE2  GLN  14          HE22      GLN  14 -12.132  14.652   3.293
  108   2HE2  GLN  14          HE21      GLN  14 -11.617  13.075   3.865
  109    H    VAL  15          H         VAL  15 -11.974   9.473  -1.045
  110    HA   VAL  15          HA        VAL  15  -9.353   8.310  -0.739
  111    HB   VAL  15          HB        VAL  15 -11.163   8.329  -3.198
  112   1HG1  VAL  15          HG13      VAL  15  -8.796   6.599  -2.417
  113   2HG1  VAL  15          HG11      VAL  15  -9.953   6.186  -3.705
  114   3HG1  VAL  15          HG12      VAL  15  -8.970   7.645  -3.835
  115   1HG2  VAL  15          HG22      VAL  15 -11.026   6.346  -0.891
  116   2HG2  VAL  15          HG23      VAL  15 -12.388   7.414  -1.257
  117   3HG2  VAL  15          HG21      VAL  15 -11.949   6.152  -2.406
  118    H    LYS  16          H         LYS  16 -10.769  10.626  -3.061
  119    HA   LYS  16          HA        LYS  16  -8.359  11.225  -4.465
  120   1HB   LYS  16          HB2       LYS  16 -10.860  12.924  -4.070
  121   2HB   LYS  16          HB3       LYS  16  -9.558  13.236  -5.231
  122   1HG   LYS  16          HG2       LYS  16  -9.979  11.037  -6.306
  123   2HG   LYS  16          HG3       LYS  16 -11.313  10.739  -5.173
  124   1HD   LYS  16          HD2       LYS  16 -12.507  12.735  -6.024
  125   2HD   LYS  16          HD3       LYS  16 -11.146  13.106  -7.096
  126   1HE   LYS  16          HE2       LYS  16 -12.939  12.013  -8.355
  127   2HE   LYS  16          HE3       LYS  16 -11.494  10.990  -8.328
  128   1HZ   LYS  16          HZ2       LYS  16 -13.836  10.679  -6.578
  129   2HZ   LYS  16          HZ3       LYS  16 -13.509   9.767  -7.911
  130   3HZ   LYS  16          HZ1       LYS  16 -12.513   9.698  -6.602
  131    H    ALA  17          H         ALA  17  -9.998  12.878  -1.721
  132    HA   ALA  17          HA        ALA  17  -8.205  14.957  -1.305
  133   1HB   ALA  17          HB3       ALA  17 -10.373  14.542  -0.056
  134   2HB   ALA  17          HB1       ALA  17  -9.499  13.370   0.953
  135   3HB   ALA  17          HB2       ALA  17  -9.012  15.066   0.956
  136    H    MET  18          H         MET  18  -8.029  11.711   0.277
  137    HA   MET  18          HA        MET  18  -5.569  12.152   1.590
  138   1HB   MET  18          HB2       MET  18  -6.966   9.627   0.700
  139   2HB   MET  18          HB3       MET  18  -5.425   9.610   1.573
  140   1HG   MET  18          HG2       MET  18  -6.356  10.913   3.411
  141   2HG   MET  18          HG3       MET  18  -7.934  10.979   2.621
  142   1HE   MET  18          HE3       MET  18  -8.410   8.145   1.534
  143   2HE   MET  18          HE1       MET  18  -9.192   7.327   2.911
  144   3HE   MET  18          HE2       MET  18  -9.602   9.019   2.520
  145    H    LEU  19          H         LEU  19  -6.219  10.612  -1.635
  146    HA   LEU  19          HA        LEU  19  -3.513  10.087  -2.262
  147   1HB   LEU  19          HB2       LEU  19  -5.836  10.806  -4.068
  148   2HB   LEU  19          HB3       LEU  19  -4.271  10.274  -4.678
  149    HG   LEU  19          HG        LEU  19  -5.891   8.583  -2.727
  150   1HD1  LEU  19          HD13      LEU  19  -7.251   9.016  -4.750
  151   2HD1  LEU  19          HD11      LEU  19  -5.897   8.511  -5.779
  152   3HD1  LEU  19          HD12      LEU  19  -6.686   7.332  -4.710
  153   1HD2  LEU  19          HD23      LEU  19  -3.438   8.008  -3.043
  154   2HD2  LEU  19          HD21      LEU  19  -4.565   6.739  -3.539
  155   3HD2  LEU  19          HD22      LEU  19  -3.792   7.760  -4.758
  156    H    GLU  20          H         GLU  20  -5.344  13.146  -2.734
  157    HA   GLU  20          HA        GLU  20  -3.173  14.499  -4.056
  158   1HB   GLU  20          HB2       GLU  20  -5.328  15.762  -2.310
  159   2HB   GLU  20          HB3       GLU  20  -4.272  16.557  -3.472
  160   1HG   GLU  20          HG2       GLU  20  -6.803  15.101  -3.952
  161   2HG   GLU  20          HG3       GLU  20  -6.085  16.449  -4.794
  162    HE2  GLU  20          HE        GLU  20  -6.284  13.074  -4.642
  163    H    LYS  21          H         LYS  21  -3.818  13.778  -0.652
  164    HA   LYS  21          HA        LYS  21  -1.837  15.700   0.320
  165   1HB   LYS  21          HB2       LYS  21  -3.349  13.463   1.706
  166   2HB   LYS  21          HB3       LYS  21  -2.365  14.658   2.526
  167   1HG   LYS  21          HG2       LYS  21  -4.481  15.816   0.745
  168   2HG   LYS  21          HG3       LYS  21  -5.076  14.828   2.073
  169   1HD   LYS  21          HD2       LYS  21  -4.972  17.131   2.767
  170   2HD   LYS  21          HD3       LYS  21  -3.817  16.168   3.703
  171   1HE   LYS  21          HE2       LYS  21  -1.951  17.006   2.298
  172   2HE   LYS  21          HE3       LYS  21  -3.099  17.874   1.260
  173   1HZ   LYS  21          HZ1       LYS  21  -3.690  19.205   3.153
  174   2HZ   LYS  21          HZ2       LYS  21  -2.622  18.392   4.110
  175   3HZ   LYS  21          HZ3       LYS  21  -2.073  19.302   2.851
  176    H    ASP  22          H         ASP  22  -1.375  12.825  -1.350
  177    HA   ASP  22          HA        ASP  22   0.584  11.570   0.321
  178   1HB   ASP  22          HB2       ASP  22   1.137  10.244  -1.457
  179   2HB   ASP  22          HB3       ASP  22  -0.517  10.660  -1.889
  180    HD2  ASP  22          HD        ASP  22  -0.731  12.150  -3.640
  181    H    THR  23          H         THR  23   2.886  11.824   0.419
  182    HA   THR  23          HA        THR  23   3.924  14.421  -0.637
  183    HB   THR  23          HB        THR  23   5.545  14.150   1.279
  184    HG1  THR  23          HG1       THR  23   4.923  12.755   2.912
  185   1HG2  THR  23          HG23      THR  23   3.554  15.628   1.397
  186   2HG2  THR  23          HG21      THR  23   2.579  14.269   1.996
  187   3HG2  THR  23          HG22      THR  23   3.926  14.894   2.966
  188    H    GLY  24          H         GLY  24   3.826  12.066  -2.361
  189   1HA   GLY  24          HA2       GLY  24   6.676  11.159  -2.558
  190   2HA   GLY  24          HA3       GLY  24   5.239  10.440  -3.279
  191    H    LYS  25          H         LYS  25   7.894  12.414  -3.869
  192    HA   LYS  25          HA        LYS  25   6.763  13.994  -6.082
  193   1HB   LYS  25          HB2       LYS  25   9.608  13.458  -5.144
  194   2HB   LYS  25          HB3       LYS  25   9.156  14.616  -6.400
  195   1HG   LYS  25          HG2       LYS  25   7.917  15.979  -4.850
  196   2HG   LYS  25          HG3       LYS  25   8.078  14.808  -3.538
  197   1HD   LYS  25          HD2       LYS  25  10.486  16.142  -4.843
  198   2HD   LYS  25          HD3       LYS  25   9.627  16.823  -3.450
  199   1HE   LYS  25          HE2       LYS  25  10.057  14.757  -2.140
  200   2HE   LYS  25          HE3       LYS  25  10.969  14.071  -3.493
  201   1HZ   LYS  25          HZ2       LYS  25  11.653  16.560  -2.106
  202   2HZ   LYS  25          HZ3       LYS  25  12.348  15.091  -1.839
  203   3HZ   LYS  25          HZ1       LYS  25  12.523  15.836  -3.306
  204    H    VAL  26          H         VAL  26   7.186  13.489  -8.313
  205    HA   VAL  26          HA        VAL  26   7.377  10.646  -8.869
  206    HB   VAL  26          HB        VAL  26   7.335  12.999 -10.804
  207   1HG1  VAL  26          HG13      VAL  26   6.667  10.042 -11.145
  208   2HG1  VAL  26          HG11      VAL  26   6.333  11.299 -12.353
  209   3HG1  VAL  26          HG12      VAL  26   8.001  10.921 -11.922
  210   1HG2  VAL  26          HG21      VAL  26   5.081  11.434  -9.492
  211   2HG2  VAL  26          HG22      VAL  26   5.361  13.182  -9.402
  212   3HG2  VAL  26          HG23      VAL  26   4.860  12.457 -10.931
  213    H    SER  27          H         SER  27   9.091   9.537  -9.966
  214    HA   SER  27          HA        SER  27  11.535  11.020 -10.731
  215   1HB   SER  27          HB2       SER  27  11.546   8.768  -8.692
  216   2HB   SER  27          HB3       SER  27  12.956   9.625  -9.340
  217    HG   SER  27          HG        SER  27  11.388  11.512  -8.448
  218    H    GLY  28          H         GLY  28  10.175  10.229 -12.709
  219   1HA   GLY  28          HA2       GLY  28  10.117   8.816 -14.542
  220   2HA   GLY  28          HA3       GLY  28  11.526   7.958 -13.881
  221    H    ASP  29          H         ASP  29  10.806   5.781 -13.961
  222    HA   ASP  29          HA        ASP  29   8.105   5.070 -13.023
  223   1HB   ASP  29          HB2       ASP  29   9.146   3.828 -14.908
  224   2HB   ASP  29          HB3       ASP  29  10.428   3.268 -13.810
  225    HD2  ASP  29          HD        ASP  29   8.406   0.513 -13.354
  226    H    THR  30          H         THR  30   9.196   6.462 -11.009
  227    HA   THR  30          HA        THR  30   9.277   4.652  -8.821
  228    HB   THR  30          HB        THR  30  11.837   6.068  -9.715
  229    HG1  THR  30          HG1       THR  30  11.404   3.835 -10.225
  230   1HG2  THR  30          HG23      THR  30  11.322   5.070  -6.907
  231   2HG2  THR  30          HG21      THR  30  12.879   5.564  -7.603
  232   3HG2  THR  30          HG22      THR  30  11.589   6.757  -7.398
  233    H    VAL  31          H         VAL  31   9.035   5.903  -6.846
  234    HA   VAL  31          HA        VAL  31   8.341   8.770  -7.202
  235    HB   VAL  31          HB        VAL  31   6.873   6.599  -5.641
  236   1HG1  VAL  31          HG11      VAL  31   6.412   9.612  -5.573
  237   2HG1  VAL  31          HG12      VAL  31   5.355   8.389  -4.848
  238   3HG1  VAL  31          HG13      VAL  31   6.990   8.619  -4.213
  239   1HG2  VAL  31          HG21      VAL  31   6.242   6.792  -8.024
  240   2HG2  VAL  31          HG22      VAL  31   4.924   7.356  -6.984
  241   3HG2  VAL  31          HG23      VAL  31   5.952   8.531  -7.824
  242    H    THR  32          H         THR  32   8.980  10.031  -5.325
  243    HA   THR  32          HA        THR  32  10.947   8.711  -3.537
  244    HB   THR  32          HB        THR  32  11.351  11.191  -5.258
  245    HG1  THR  32          HG1       THR  32  12.084   9.781  -6.559
  246   1HG2  THR  32          HG22      THR  32  13.173   9.937  -3.154
  247   2HG2  THR  32          HG23      THR  32  13.677  11.151  -4.348
  248   3HG2  THR  32          HG21      THR  32  12.464  11.562  -3.128
  249    H    TYR  33          H         TYR  33  10.621   9.234  -1.513
  250    HA   TYR  33          HA        TYR  33   8.871  11.557  -0.833
  251   1HB   TYR  33          HB2       TYR  33   9.630   8.951   0.524
  252   2HB   TYR  33          HB3       TYR  33   8.971  10.316   1.413
  253    HD1  TYR  33          HD2       TYR  33   8.172   7.917  -1.360
  254    HD2  TYR  33          HD1       TYR  33   6.718  11.011   1.264
  255    HE1  TYR  33          HE2       TYR  33   5.830   7.440  -2.065
  256    HE2  TYR  33          HE1       TYR  33   4.409  10.419   0.688
  257    HH   TYR  33          HH        TYR  33   3.064   9.027  -0.465
  258    H    SER  34          H         SER  34   9.522  12.679   1.255
  259    HA   SER  34          HA        SER  34  12.325  12.743   1.970
  260   1HB   SER  34          HB2       SER  34  11.044  15.123   0.551
  261   2HB   SER  34          HB3       SER  34  12.584  15.167   1.427
  262    HG   SER  34          HG        SER  34  12.608  13.112  -0.313
  263    H    GLY  35          H         GLY  35  12.573  14.213   3.862
  264   1HA   GLY  35          HA2       GLY  35  11.859  15.186   5.820
  265   2HA   GLY  35          HA3       GLY  35  10.224  15.353   5.153
  266    H    LYS  36          H         LYS  36  10.124  14.658   7.677
  267    HA   LYS  36          HA        LYS  36  10.307  11.780   8.112
  268   1HB   LYS  36          HB2       LYS  36   9.022  13.920   9.801
  269   2HB   LYS  36          HB3       LYS  36   9.312  12.271  10.306
  270   1HG   LYS  36          HG2       LYS  36  11.498  14.264   9.524
  271   2HG   LYS  36          HG3       LYS  36  10.964  13.978  11.169
  272   1HD   LYS  36          HD2       LYS  36  12.222  11.868   9.348
  273   2HD   LYS  36          HD3       LYS  36  13.079  12.796  10.566
  274   1HE   LYS  36          HE2       LYS  36  10.786  10.866  11.199
  275   2HE   LYS  36          HE3       LYS  36  12.510  10.531  11.366
  276   1HZ   LYS  36          HZ2       LYS  36  12.642  12.317  12.945
  277   2HZ   LYS  36          HZ3       LYS  36  11.023  12.607  12.804
  278   3HZ   LYS  36          HZ1       LYS  36  11.553  11.174  13.417
  279    H    THR  37          H         THR  37   7.768  14.121   7.239
  280    HA   THR  37          HA        THR  37   5.593  12.336   7.765
  281    HB   THR  37          HB        THR  37   5.556  14.855   6.061
  282    HG1  THR  37          HG1       THR  37   5.567  14.621   8.886
  283   1HG2  THR  37          HG22      THR  37   3.560  13.579   7.999
  284   2HG2  THR  37          HG23      THR  37   3.319  15.098   7.105
  285   3HG2  THR  37          HG21      THR  37   3.440  13.559   6.229
  286    H    VAL  38          H         VAL  38   6.618  10.557   6.518
  287    HA   VAL  38          HA        VAL  38   6.436  10.675   3.570
  288    HB   VAL  38          HB        VAL  38   7.388   8.581   5.534
  289   1HG1  VAL  38          HG12      VAL  38   7.216   8.517   2.493
  290   2HG1  VAL  38          HG13      VAL  38   8.326   7.498   3.404
  291   3HG1  VAL  38          HG11      VAL  38   6.579   7.327   3.631
  292   1HG2  VAL  38          HG23      VAL  38   8.784  10.596   5.287
  293   2HG2  VAL  38          HG21      VAL  38   9.567   9.167   4.593
  294   3HG2  VAL  38          HG22      VAL  38   8.814  10.386   3.546
  295    H    HIS  39          H         HIS  39   4.286  10.969   3.086
  296    HA   HIS  39          HA        HIS  39   2.291   9.224   4.356
  297   1HB   HIS  39          HB2       HIS  39   2.016  11.689   4.267
  298   2HB   HIS  39          HB3       HIS  39   1.935  11.609   2.507
  299    HD1  HIS  39          HD1       HIS  39  -0.584  12.537   2.553
  300    HD2  HIS  39          HD2       HIS  39   0.101   8.962   4.690
  301    HE1  HIS  39          HE1       HIS  39  -2.899  11.568   3.156
  302    HE2  HIS  39          HE2       HIS  39  -2.430   9.372   4.444
  303    H    VAL  40          H         VAL  40   2.387   7.229   3.397
  304    HA   VAL  40          HA        VAL  40   2.572   7.002   0.428
  305    HB   VAL  40          HB        VAL  40   2.885   4.953   2.635
  306   1HG1  VAL  40          HG11      VAL  40   3.049   4.693  -0.402
  307   2HG1  VAL  40          HG12      VAL  40   3.662   3.481   0.745
  308   3HG1  VAL  40          HG13      VAL  40   1.934   3.835   0.676
  309   1HG2  VAL  40          HG23      VAL  40   4.871   6.238   0.719
  310   2HG2  VAL  40          HG21      VAL  40   4.756   6.530   2.466
  311   3HG2  VAL  40          HG22      VAL  40   5.231   4.933   1.870
  312    H    VAL  41          H         VAL  41   0.534   7.635  -0.228
  313    HA   VAL  41          HA        VAL  41  -1.808   6.375   0.996
  314    HB   VAL  41          HB        VAL  41  -1.781   8.334  -1.307
  315   1HG1  VAL  41          HG11      VAL  41  -3.896   7.049  -0.873
  316   2HG1  VAL  41          HG12      VAL  41  -3.840   7.548   0.827
  317   3HG1  VAL  41          HG13      VAL  41  -4.080   8.754  -0.440
  318   1HG2  VAL  41          HG23      VAL  41  -1.819   8.820   1.695
  319   2HG2  VAL  41          HG21      VAL  41  -0.564   9.370   0.570
  320   3HG2  VAL  41          HG22      VAL  41  -2.184  10.044   0.470
  321    H    ALA  42          H         ALA  42  -2.146   4.295   0.410
  322    HA   ALA  42          HA        ALA  42  -1.654   3.483  -2.438
  323   1HB   ALA  42          HB2       ALA  42  -1.326   1.882   0.125
  324   2HB   ALA  42          HB3       ALA  42  -1.122   1.261  -1.528
  325   3HB   ALA  42          HB1       ALA  42  -0.025   2.512  -0.906
  326    H    ALA  43          H         ALA  43  -3.542   3.190  -3.504
  327    HA   ALA  43          HA        ALA  43  -5.914   2.268  -2.010
  328   1HB   ALA  43          HB2       ALA  43  -6.199   4.152  -3.562
  329   2HB   ALA  43          HB3       ALA  43  -5.624   3.134  -4.903
  330   3HB   ALA  43          HB1       ALA  43  -7.125   2.719  -4.051
  331    H    ALA  44          H         ALA  44  -6.945   0.269  -2.556
  332    HA   ALA  44          HA        ALA  44  -5.325  -1.624  -4.258
  333   1HB   ALA  44          HB2       ALA  44  -5.295  -2.216  -1.844
  334   2HB   ALA  44          HB3       ALA  44  -7.063  -2.381  -1.895
  335   3HB   ALA  44          HB1       ALA  44  -6.050  -3.431  -2.891
  336    H    VAL  45          H         VAL  45  -6.310  -1.689  -6.159
  337    HA   VAL  45          HA        VAL  45  -7.894  -1.626  -7.770
  338    HB   VAL  45          HB        VAL  45  -8.968  -3.893  -6.070
  339   1HG1  VAL  45          HG11      VAL  45 -10.330  -3.241  -8.134
  340   2HG1  VAL  45          HG12      VAL  45  -8.870  -3.494  -9.096
  341   3HG1  VAL  45          HG13      VAL  45  -9.621  -4.853  -8.220
  342   1HG2  VAL  45          HG21      VAL  45  -6.663  -3.853  -8.054
  343   2HG2  VAL  45          HG22      VAL  45  -6.540  -4.125  -6.305
  344   3HG2  VAL  45          HG23      VAL  45  -7.372  -5.308  -7.316
  345    H    LEU  46          H         LEU  46  -8.836   0.448  -7.426
  346    HA   LEU  46          HA        LEU  46 -11.074   0.733  -5.631
  347   1HB   LEU  46          HB2       LEU  46  -9.982   2.483  -7.865
  348   2HB   LEU  46          HB3       LEU  46 -11.297   2.991  -6.806
  349    HG   LEU  46          HG        LEU  46  -8.550   2.184  -5.769
  350   1HD1  LEU  46          HD12      LEU  46  -9.632   4.957  -6.434
  351   2HD1  LEU  46          HD13      LEU  46  -8.103   4.621  -5.596
  352   3HD1  LEU  46          HD11      LEU  46  -8.318   4.108  -7.277
  353   1HD2  LEU  46          HD21      LEU  46 -10.877   3.742  -4.535
  354   2HD2  LEU  46          HD22      LEU  46 -10.332   2.120  -4.043
  355   3HD2  LEU  46          HD23      LE